data_34039 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34039 _Entry.Title ; Minor form of the recombinant cytotoxin-1 from N. oxiana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-08 _Entry.Accession_date 2016-09-08 _Entry.Last_release_date 2017-09-13 _Entry.Original_release_date 2017-09-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Dubovskii P. V. . . 34039 2 M. Dubinnyi M. A. . . 34039 3 M. Shulepko M. A. . . 34039 4 E. Lyukmanova E. N. . . 34039 5 D. Dolgikh D. A. . . 34039 6 M. Kirpichnikov M. P. . . 34039 7 R. Efremov R. G. . . 34039 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Structure from MOLMOL' . 34039 'all-beta sheet protein' . 34039 'cobra venom' . 34039 'cytolytic peptide' . 34039 toxin . 34039 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34039 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 34039 '15N chemical shifts' 61 34039 '1H chemical shifts' 454 34039 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 3 . . 2018-02-28 2016-09-08 update author 'update entry citation' 34039 2 . . 2017-09-26 2016-09-08 update author 'update Thiol state' 34039 1 . . 2017-09-15 2016-09-08 original author 'original release' 34039 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LUE 'BMRB Entry Tracking System' 34039 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34039 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Towards universal approach for bacterial production of three-finger Ly6/uPAR proteins: case study of Cytotoxin I from cobra N. oxiana ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Dubovskii P. V. . . 34039 1 2 M. Dubinnyi M. A. . . 34039 1 3 A. Konshina A. G. . . 34039 1 4 E. Kazakova E. D. . . 34039 1 5 G. Sorokoumova G. M. . . 34039 1 6 T. Ilyasova T. M. . . 34039 1 7 M. Shulepko M. A. . . 34039 1 8 E. Lyukmanova E. N. . . 34039 1 9 R. Chertkova R. V. . . 34039 1 10 R. Efremov R. G. . . 34039 1 11 M. Shulepko M. A. . . 34039 1 12 E. Lyukmanova E. N. . . 34039 1 13 Z. Shenkarev Z. O. . . 34039 1 14 P. Dubovskii P. V. . . 34039 1 15 M. Astapova M. V. . . 34039 1 16 A. Feofanov A. V. . . 34039 1 17 A. Arseniev A. S. . . 34039 1 18 Y. Utkin Y. N. . . 34039 1 19 M. Kirpichnikov M. P. . . 34039 1 20 D. Dolgikh D. A. . . 34039 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34039 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28749688 _Citation.Full_citation . _Citation.Title ; Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They? ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 56 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 4468 _Citation.Page_last 4477 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Peter Dubovskii P. V. . . 34039 2 2 Maxim Dubinnyi M. A. . . 34039 2 3 Anastasia Konshina A. G. . . 34039 2 4 Ekaterina Kazakova E. D. . . 34039 2 5 Galina Sorokoumova G. M. . . 34039 2 6 Tatyana Ilyasova T. M. . . 34039 2 7 Mikhail Shulepko M. A. . . 34039 2 8 Rita Chertkova R. V. . . 34039 2 9 Ekaterina Lyukmanova E. N. . . 34039 2 10 Dmitry Dolgikh D. A. . . 34039 2 11 Alexander Arseniev A. S. . . 34039 2 12 Roman Efremov R. G. . . 34039 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34039 _Assembly.ID 1 _Assembly.Name VC-1=CYTOTOXIN _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 entity_1 1 $entity_1 A A yes . . . . . . 34039 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34039 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLKCNKLVPIAYKTCPEGKN LCYKMFMMSDLTIPVKRGCI DVCPKNSLLVKYVCCNTDRC N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6962.535 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID cytotoxin-1 na 34039 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 0 MET . 34039 1 2 1 LEU . 34039 1 3 2 LYS . 34039 1 4 3 CYS . 34039 1 5 4 ASN . 34039 1 6 5 LYS . 34039 1 7 6 LEU . 34039 1 8 7 VAL . 34039 1 9 8 PRO . 34039 1 10 9 ILE . 34039 1 11 10 ALA . 34039 1 12 11 TYR . 34039 1 13 12 LYS . 34039 1 14 13 THR . 34039 1 15 14 CYS . 34039 1 16 15 PRO . 34039 1 17 16 GLU . 34039 1 18 17 GLY . 34039 1 19 18 LYS . 34039 1 20 19 ASN . 34039 1 21 20 LEU . 34039 1 22 21 CYS . 34039 1 23 22 TYR . 34039 1 24 23 LYS . 34039 1 25 24 MET . 34039 1 26 25 PHE . 34039 1 27 26 MET . 34039 1 28 27 MET . 34039 1 29 28 SER . 34039 1 30 29 ASP . 34039 1 31 30 LEU . 34039 1 32 31 THR . 34039 1 33 32 ILE . 34039 1 34 33 PRO . 34039 1 35 34 VAL . 34039 1 36 35 LYS . 34039 1 37 36 ARG . 34039 1 38 37 GLY . 34039 1 39 38 CYS . 34039 1 40 39 ILE . 34039 1 41 40 ASP . 34039 1 42 41 VAL . 34039 1 43 42 CYS . 34039 1 44 43 PRO . 34039 1 45 44 LYS . 34039 1 46 45 ASN . 34039 1 47 46 SER . 34039 1 48 47 LEU . 34039 1 49 48 LEU . 34039 1 50 49 VAL . 34039 1 51 50 LYS . 34039 1 52 51 TYR . 34039 1 53 52 VAL . 34039 1 54 53 CYS . 34039 1 55 54 CYS . 34039 1 56 55 ASN . 34039 1 57 56 THR . 34039 1 58 57 ASP . 34039 1 59 58 ARG . 34039 1 60 59 CYS . 34039 1 61 60 ASN . 34039 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 . MET 1 1 34039 1 . LEU 2 2 34039 1 . LYS 3 3 34039 1 . CYS 4 4 34039 1 . ASN 5 5 34039 1 . LYS 6 6 34039 1 . LEU 7 7 34039 1 . VAL 8 8 34039 1 . PRO 9 9 34039 1 . ILE 10 10 34039 1 . ALA 11 11 34039 1 . TYR 12 12 34039 1 . LYS 13 13 34039 1 . THR 14 14 34039 1 . CYS 15 15 34039 1 . PRO 16 16 34039 1 . GLU 17 17 34039 1 . GLY 18 18 34039 1 . LYS 19 19 34039 1 . ASN 20 20 34039 1 . LEU 21 21 34039 1 . CYS 22 22 34039 1 . TYR 23 23 34039 1 . LYS 24 24 34039 1 . MET 25 25 34039 1 . PHE 26 26 34039 1 . MET 27 27 34039 1 . MET 28 28 34039 1 . SER 29 29 34039 1 . ASP 30 30 34039 1 . LEU 31 31 34039 1 . THR 32 32 34039 1 . ILE 33 33 34039 1 . PRO 34 34 34039 1 . VAL 35 35 34039 1 . LYS 36 36 34039 1 . ARG 37 37 34039 1 . GLY 38 38 34039 1 . CYS 39 39 34039 1 . ILE 40 40 34039 1 . ASP 41 41 34039 1 . VAL 42 42 34039 1 . CYS 43 43 34039 1 . PRO 44 44 34039 1 . LYS 45 45 34039 1 . ASN 46 46 34039 1 . SER 47 47 34039 1 . LEU 48 48 34039 1 . LEU 49 49 34039 1 . VAL 50 50 34039 1 . LYS 51 51 34039 1 . TYR 52 52 34039 1 . VAL 53 53 34039 1 . CYS 54 54 34039 1 . CYS 55 55 34039 1 . ASN 56 56 34039 1 . THR 57 57 34039 1 . ASP 58 58 34039 1 . ARG 59 59 34039 1 . CYS 60 60 34039 1 . ASN 61 61 34039 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 34039 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 8657 organism . 'Naja oxiana' 'Central Asian cobra' . . Eukaryota Metazoa Naja oxiana . . . . . . . . . . . . . 34039 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 34039 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . pET-22b(+) . . . . . . 34039 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34039 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-99% 13C; U-99% 15N] recombinant cytotoxin-1, 95 v/v non-labeled H2O, 5 v/v 99.9%-2H D2O, 3 uM non-labeled NaOH, 1 uM non-labeled HCl, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O '[U-99.9% 2H]' . . . . . . 5 . . v/v 0.1 . . . 34039 1 2 H2O 'natural abundance' . . . . . . 95 . . v/v 0.1 . . . 34039 1 3 HCl 'natural abundance' . . . . . . 1 . . uM 0.1 . . . 34039 1 4 NaOH 'natural abundance' . . . . . . 3 . . uM 0.1 . . . 34039 1 5 'recombinant cytotoxin-1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 34039 1 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 34039 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 34039 1 pressure 101325 100 Pa 34039 1 temperature 303 0.2 K 34039 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34039 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34039 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34039 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34039 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 1.0.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34039 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34039 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34039 _Software.ID 3 _Software.Type . _Software.Name Rosetta _Software.Version 3.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David Baker' . . 34039 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34039 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34039 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.0.a _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34039 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34039 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34039 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34039 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34039 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 34039 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 34039 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 34039 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34039 1 10 '1D watergate' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34039 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34039 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'indirect referncing' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.75 internal indirect 0.25144953 . . . 'no correction' . 34039 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . 'no correction' . 34039 1 N 15 water protons . . . . ppm 4.75 internal indirect 0.10132912 . . . 'no correction' . 34039 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34039 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '3D HNCA' . . . 34039 1 2 '3D HNCACB' . . . 34039 1 3 '3D HNCO' . . . 34039 1 4 '3D HN(COCA)CB' . . . 34039 1 5 '3D HCCH-TOCSY' . . . 34039 1 6 '2D 1H-15N HSQC' . . . 34039 1 7 '2D 1H-13C HSQC aliphatic' . . . 34039 1 8 '3D 1H-15N NOESY' . . . 34039 1 9 '3D 1H-13C NOESY aliphatic' . . . 34039 1 10 '1D watergate' . . . 34039 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.0800 0.0200 . 1 . . . . A 0 MET HA . 34039 1 2 . 1 1 1 1 MET HB2 H 1 2.6010 0.0200 . 2 . . . . A 0 MET HB2 . 34039 1 3 . 1 1 1 1 MET HB3 H 1 2.6010 0.0200 . 2 . . . . A 0 MET HB3 . 34039 1 4 . 1 1 1 1 MET HG2 H 1 2.0430 0.0200 . 1 . . . . A 0 MET HG2 . 34039 1 5 . 1 1 1 1 MET HG3 H 1 2.1470 0.0200 . 1 . . . . A 0 MET HG3 . 34039 1 6 . 1 1 1 1 MET HE1 H 1 2.0830 0.0200 . 1 . . . . A 0 MET HE1 . 34039 1 7 . 1 1 1 1 MET HE2 H 1 2.0830 0.0200 . 1 . . . . A 0 MET HE2 . 34039 1 8 . 1 1 1 1 MET HE3 H 1 2.0830 0.0200 . 1 . . . . A 0 MET HE3 . 34039 1 9 . 1 1 1 1 MET C C 13 169.0050 0.3000 . 1 . . . . A 0 MET C . 34039 1 10 . 1 1 1 1 MET CA C 13 52.6140 0.3000 . 1 . . . . A 0 MET CA . 34039 1 11 . 1 1 1 1 MET CB C 13 28.9310 0.3000 . 1 . . . . A 0 MET CB . 34039 1 12 . 1 1 1 1 MET CG C 13 30.5400 0.3000 . 1 . . . . A 0 MET CG . 34039 1 13 . 1 1 1 1 MET CE C 13 14.2940 0.3000 . 1 . . . . A 0 MET CE . 34039 1 14 . 1 1 2 2 LEU H H 1 8.6030 0.0200 . 1 . . . . A 1 LEU H . 34039 1 15 . 1 1 2 2 LEU HA H 1 4.5000 0.0200 . 1 . . . . A 1 LEU HA . 34039 1 16 . 1 1 2 2 LEU HB2 H 1 1.4080 0.0200 . 1 . . . . A 1 LEU HB2 . 34039 1 17 . 1 1 2 2 LEU HB3 H 1 1.4820 0.0200 . 1 . . . . A 1 LEU HB3 . 34039 1 18 . 1 1 2 2 LEU HG H 1 1.3420 0.0200 . 1 . . . . A 1 LEU HG . 34039 1 19 . 1 1 2 2 LEU HD11 H 1 0.7500 0.0200 . 1 . . . . A 1 LEU HD11 . 34039 1 20 . 1 1 2 2 LEU HD12 H 1 0.7500 0.0200 . 1 . . . . A 1 LEU HD12 . 34039 1 21 . 1 1 2 2 LEU HD13 H 1 0.7500 0.0200 . 1 . . . . A 1 LEU HD13 . 34039 1 22 . 1 1 2 2 LEU HD21 H 1 0.7470 0.0200 . 1 . . . . A 1 LEU HD21 . 34039 1 23 . 1 1 2 2 LEU HD22 H 1 0.7470 0.0200 . 1 . . . . A 1 LEU HD22 . 34039 1 24 . 1 1 2 2 LEU HD23 H 1 0.7470 0.0200 . 1 . . . . A 1 LEU HD23 . 34039 1 25 . 1 1 2 2 LEU C C 13 171.3970 0.3000 . 1 . . . . A 1 LEU C . 34039 1 26 . 1 1 2 2 LEU CA C 13 52.6170 0.3000 . 1 . . . . A 1 LEU CA . 34039 1 27 . 1 1 2 2 LEU CB C 13 42.4200 0.3000 . 1 . . . . A 1 LEU CB . 34039 1 28 . 1 1 2 2 LEU CG C 13 29.8770 0.3000 . 1 . . . . A 1 LEU CG . 34039 1 29 . 1 1 2 2 LEU CD1 C 13 21.1510 0.3000 . 1 . . . . A 1 LEU CD1 . 34039 1 30 . 1 1 2 2 LEU CD2 C 13 19.4190 0.3000 . 1 . . . . A 1 LEU CD2 . 34039 1 31 . 1 1 2 2 LEU N N 15 128.1440 0.3000 . 1 . . . . A 1 LEU N . 34039 1 32 . 1 1 3 3 LYS H H 1 8.1390 0.0200 . 1 . . . . A 2 LYS H . 34039 1 33 . 1 1 3 3 LYS HA H 1 5.2380 0.0200 . 1 . . . . A 2 LYS HA . 34039 1 34 . 1 1 3 3 LYS HB2 H 1 1.3730 0.0200 . 1 . . . . A 2 LYS HB2 . 34039 1 35 . 1 1 3 3 LYS HB3 H 1 1.3930 0.0200 . 1 . . . . A 2 LYS HB3 . 34039 1 36 . 1 1 3 3 LYS HG2 H 1 1.2520 0.0200 . 1 . . . . A 2 LYS HG2 . 34039 1 37 . 1 1 3 3 LYS HG3 H 1 1.2950 0.0200 . 1 . . . . A 2 LYS HG3 . 34039 1 38 . 1 1 3 3 LYS HD2 H 1 1.1540 0.0200 . 1 . . . . A 2 LYS HD2 . 34039 1 39 . 1 1 3 3 LYS HD3 H 1 1.2420 0.0200 . 1 . . . . A 2 LYS HD3 . 34039 1 40 . 1 1 3 3 LYS HE2 H 1 2.7900 0.0200 . 1 . . . . A 2 LYS HE2 . 34039 1 41 . 1 1 3 3 LYS HE3 H 1 2.8590 0.0200 . 1 . . . . A 2 LYS HE3 . 34039 1 42 . 1 1 3 3 LYS C C 13 173.3060 0.3000 . 1 . . . . A 2 LYS C . 34039 1 43 . 1 1 3 3 LYS CA C 13 51.7620 0.3000 . 1 . . . . A 2 LYS CA . 34039 1 44 . 1 1 3 3 LYS CB C 13 32.8870 0.3000 . 1 . . . . A 2 LYS CB . 34039 1 45 . 1 1 3 3 LYS CG C 13 22.0330 0.3000 . 1 . . . . A 2 LYS CG . 34039 1 46 . 1 1 3 3 LYS CD C 13 26.7240 0.3000 . 1 . . . . A 2 LYS CD . 34039 1 47 . 1 1 3 3 LYS CE C 13 38.9910 0.3000 . 1 . . . . A 2 LYS CE . 34039 1 48 . 1 1 3 3 LYS N N 15 122.6780 0.3000 . 1 . . . . A 2 LYS N . 34039 1 49 . 1 1 4 4 CYS H H 1 8.4910 0.0200 . 1 . . . . A 3 CYS H . 34039 1 50 . 1 1 4 4 CYS HA H 1 5.0730 0.0200 . 1 . . . . A 3 CYS HA . 34039 1 51 . 1 1 4 4 CYS HB2 H 1 2.5170 0.0200 . 1 . . . . A 3 CYS HB2 . 34039 1 52 . 1 1 4 4 CYS HB3 H 1 2.8900 0.0200 . 1 . . . . A 3 CYS HB3 . 34039 1 53 . 1 1 4 4 CYS C C 13 171.9770 0.3000 . 1 . . . . A 3 CYS C . 34039 1 54 . 1 1 4 4 CYS CA C 13 49.4990 0.3000 . 1 . . . . A 3 CYS CA . 34039 1 55 . 1 1 4 4 CYS CB C 13 38.8010 0.3000 . 1 . . . . A 3 CYS CB . 34039 1 56 . 1 1 4 4 CYS N N 15 116.7690 0.3000 . 1 . . . . A 3 CYS N . 34039 1 57 . 1 1 5 5 ASN H H 1 9.5440 0.0200 . 1 . . . . A 4 ASN H . 34039 1 58 . 1 1 5 5 ASN HA H 1 4.9920 0.0200 . 1 . . . . A 4 ASN HA . 34039 1 59 . 1 1 5 5 ASN HB2 H 1 2.1950 0.0200 . 1 . . . . A 4 ASN HB2 . 34039 1 60 . 1 1 5 5 ASN HB3 H 1 2.5010 0.0200 . 1 . . . . A 4 ASN HB3 . 34039 1 61 . 1 1 5 5 ASN HD21 H 1 7.4030 0.0200 . 1 . . . . A 4 ASN HD21 . 34039 1 62 . 1 1 5 5 ASN HD22 H 1 6.6070 0.0200 . 1 . . . . A 4 ASN HD22 . 34039 1 63 . 1 1 5 5 ASN C C 13 171.8700 0.3000 . 1 . . . . A 4 ASN C . 34039 1 64 . 1 1 5 5 ASN CA C 13 51.7610 0.3000 . 1 . . . . A 4 ASN CA . 34039 1 65 . 1 1 5 5 ASN CB C 13 36.2150 0.3000 . 1 . . . . A 4 ASN CB . 34039 1 66 . 1 1 5 5 ASN N N 15 120.7050 0.3000 . 1 . . . . A 4 ASN N . 34039 1 67 . 1 1 5 5 ASN ND2 N 15 116.0240 0.3000 . 1 . . . . A 4 ASN ND2 . 34039 1 68 . 1 1 6 6 LYS H H 1 7.9230 0.0200 . 1 . . . . A 5 LYS H . 34039 1 69 . 1 1 6 6 LYS HA H 1 4.5240 0.0200 . 1 . . . . A 5 LYS HA . 34039 1 70 . 1 1 6 6 LYS HB2 H 1 1.4490 0.0200 . 1 . . . . A 5 LYS HB2 . 34039 1 71 . 1 1 6 6 LYS HB3 H 1 1.8360 0.0200 . 1 . . . . A 5 LYS HB3 . 34039 1 72 . 1 1 6 6 LYS HG2 H 1 1.3210 0.0200 . 1 . . . . A 5 LYS HG2 . 34039 1 73 . 1 1 6 6 LYS HG3 H 1 1.3680 0.0200 . 1 . . . . A 5 LYS HG3 . 34039 1 74 . 1 1 6 6 LYS HD2 H 1 1.4680 0.0200 . 2 . . . . A 5 LYS HD2 . 34039 1 75 . 1 1 6 6 LYS HD3 H 1 1.4680 0.0200 . 2 . . . . A 5 LYS HD3 . 34039 1 76 . 1 1 6 6 LYS HE2 H 1 2.8030 0.0200 . 1 . . . . A 5 LYS HE2 . 34039 1 77 . 1 1 6 6 LYS HE3 H 1 2.8650 0.0200 . 1 . . . . A 5 LYS HE3 . 34039 1 78 . 1 1 6 6 LYS C C 13 172.6780 0.3000 . 1 . . . . A 5 LYS C . 34039 1 79 . 1 1 6 6 LYS CA C 13 51.2930 0.3000 . 1 . . . . A 5 LYS CA . 34039 1 80 . 1 1 6 6 LYS CB C 13 31.3440 0.3000 . 1 . . . . A 5 LYS CB . 34039 1 81 . 1 1 6 6 LYS CG C 13 23.5070 0.3000 . 1 . . . . A 5 LYS CG . 34039 1 82 . 1 1 6 6 LYS CD C 13 26.8350 0.3000 . 1 . . . . A 5 LYS CD . 34039 1 83 . 1 1 6 6 LYS CE C 13 39.3170 0.3000 . 1 . . . . A 5 LYS CE . 34039 1 84 . 1 1 6 6 LYS N N 15 118.9980 0.3000 . 1 . . . . A 5 LYS N . 34039 1 85 . 1 1 7 7 LEU H H 1 8.1350 0.0200 . 1 . . . . A 6 LEU H . 34039 1 86 . 1 1 7 7 LEU HA H 1 4.3220 0.0200 . 1 . . . . A 6 LEU HA . 34039 1 87 . 1 1 7 7 LEU HB2 H 1 1.5900 0.0200 . 1 . . . . A 6 LEU HB2 . 34039 1 88 . 1 1 7 7 LEU HB3 H 1 1.7150 0.0200 . 1 . . . . A 6 LEU HB3 . 34039 1 89 . 1 1 7 7 LEU HG H 1 1.4400 0.0200 . 1 . . . . A 6 LEU HG . 34039 1 90 . 1 1 7 7 LEU HD11 H 1 0.7150 0.0200 . 1 . . . . A 6 LEU HD11 . 34039 1 91 . 1 1 7 7 LEU HD12 H 1 0.7150 0.0200 . 1 . . . . A 6 LEU HD12 . 34039 1 92 . 1 1 7 7 LEU HD13 H 1 0.7150 0.0200 . 1 . . . . A 6 LEU HD13 . 34039 1 93 . 1 1 7 7 LEU HD21 H 1 0.8770 0.0200 . 1 . . . . A 6 LEU HD21 . 34039 1 94 . 1 1 7 7 LEU HD22 H 1 0.8770 0.0200 . 1 . . . . A 6 LEU HD22 . 34039 1 95 . 1 1 7 7 LEU HD23 H 1 0.8770 0.0200 . 1 . . . . A 6 LEU HD23 . 34039 1 96 . 1 1 7 7 LEU C C 13 173.9100 0.3000 . 1 . . . . A 6 LEU C . 34039 1 97 . 1 1 7 7 LEU CA C 13 53.1350 0.3000 . 1 . . . . A 6 LEU CA . 34039 1 98 . 1 1 7 7 LEU CB C 13 39.4400 0.3000 . 1 . . . . A 6 LEU CB . 34039 1 99 . 1 1 7 7 LEU CG C 13 24.7710 0.3000 . 1 . . . . A 6 LEU CG . 34039 1 100 . 1 1 7 7 LEU CD1 C 13 20.6520 0.3000 . 1 . . . . A 6 LEU CD1 . 34039 1 101 . 1 1 7 7 LEU CD2 C 13 22.6190 0.3000 . 1 . . . . A 6 LEU CD2 . 34039 1 102 . 1 1 7 7 LEU N N 15 120.0330 0.3000 . 1 . . . . A 6 LEU N . 34039 1 103 . 1 1 8 8 VAL H H 1 7.9650 0.0200 . 1 . . . . A 7 VAL H . 34039 1 104 . 1 1 8 8 VAL HA H 1 4.0580 0.0200 . 1 . . . . A 7 VAL HA . 34039 1 105 . 1 1 8 8 VAL HB H 1 2.0030 0.0200 . 1 . . . . A 7 VAL HB . 34039 1 106 . 1 1 8 8 VAL HG11 H 1 0.9560 0.0200 . 1 . . . . A 7 VAL HG11 . 34039 1 107 . 1 1 8 8 VAL HG12 H 1 0.9560 0.0200 . 1 . . . . A 7 VAL HG12 . 34039 1 108 . 1 1 8 8 VAL HG13 H 1 0.9560 0.0200 . 1 . . . . A 7 VAL HG13 . 34039 1 109 . 1 1 8 8 VAL HG21 H 1 0.9210 0.0200 . 1 . . . . A 7 VAL HG21 . 34039 1 110 . 1 1 8 8 VAL HG22 H 1 0.9210 0.0200 . 1 . . . . A 7 VAL HG22 . 34039 1 111 . 1 1 8 8 VAL HG23 H 1 0.9210 0.0200 . 1 . . . . A 7 VAL HG23 . 34039 1 112 . 1 1 8 8 VAL CA C 13 57.8790 0.3000 . 1 . . . . A 7 VAL CA . 34039 1 113 . 1 1 8 8 VAL CB C 13 29.1520 0.3000 . 1 . . . . A 7 VAL CB . 34039 1 114 . 1 1 8 8 VAL CG1 C 13 17.8590 0.3000 . 1 . . . . A 7 VAL CG1 . 34039 1 115 . 1 1 8 8 VAL CG2 C 13 18.2790 0.3000 . 1 . . . . A 7 VAL CG2 . 34039 1 116 . 1 1 8 8 VAL N N 15 120.1490 0.3000 . 1 . . . . A 7 VAL N . 34039 1 117 . 1 1 9 9 PRO HA H 1 4.6630 0.0200 . 1 . . . . A 8 PRO HA . 34039 1 118 . 1 1 9 9 PRO HB2 H 1 2.3160 0.0200 . 1 . . . . A 8 PRO HB2 . 34039 1 119 . 1 1 9 9 PRO HB3 H 1 2.1210 0.0200 . 1 . . . . A 8 PRO HB3 . 34039 1 120 . 1 1 9 9 PRO HG2 H 1 1.9670 0.0200 . 1 . . . . A 8 PRO HG2 . 34039 1 121 . 1 1 9 9 PRO HG3 H 1 1.6520 0.0200 . 1 . . . . A 8 PRO HG3 . 34039 1 122 . 1 1 9 9 PRO HD2 H 1 3.4210 0.0200 . 1 . . . . A 8 PRO HD2 . 34039 1 123 . 1 1 9 9 PRO HD3 H 1 3.5700 0.0200 . 1 . . . . A 8 PRO HD3 . 34039 1 124 . 1 1 9 9 PRO C C 13 172.6890 0.3000 . 1 . . . . A 8 PRO C . 34039 1 125 . 1 1 9 9 PRO CA C 13 61.4930 0.3000 . 1 . . . . A 8 PRO CA . 34039 1 126 . 1 1 9 9 PRO CB C 13 30.7060 0.3000 . 1 . . . . A 8 PRO CB . 34039 1 127 . 1 1 9 9 PRO CG C 13 21.7460 0.3000 . 1 . . . . A 8 PRO CG . 34039 1 128 . 1 1 9 9 PRO CD C 13 46.8160 0.3000 . 1 . . . . A 8 PRO CD . 34039 1 129 . 1 1 10 10 ILE H H 1 8.3180 0.0200 . 1 . . . . A 9 ILE H . 34039 1 130 . 1 1 10 10 ILE HA H 1 3.9950 0.0200 . 1 . . . . A 9 ILE HA . 34039 1 131 . 1 1 10 10 ILE HB H 1 1.8820 0.0200 . 1 . . . . A 9 ILE HB . 34039 1 132 . 1 1 10 10 ILE HG12 H 1 1.1310 0.0200 . 1 . . . . A 9 ILE HG12 . 34039 1 133 . 1 1 10 10 ILE HG13 H 1 1.4290 0.0200 . 1 . . . . A 9 ILE HG13 . 34039 1 134 . 1 1 10 10 ILE HG21 H 1 0.8270 0.0200 . 1 . . . . A 9 ILE HG21 . 34039 1 135 . 1 1 10 10 ILE HG22 H 1 0.8270 0.0200 . 1 . . . . A 9 ILE HG22 . 34039 1 136 . 1 1 10 10 ILE HG23 H 1 0.8270 0.0200 . 1 . . . . A 9 ILE HG23 . 34039 1 137 . 1 1 10 10 ILE HD11 H 1 0.8200 0.0200 . 1 . . . . A 9 ILE HD11 . 34039 1 138 . 1 1 10 10 ILE HD12 H 1 0.8200 0.0200 . 1 . . . . A 9 ILE HD12 . 34039 1 139 . 1 1 10 10 ILE HD13 H 1 0.8200 0.0200 . 1 . . . . A 9 ILE HD13 . 34039 1 140 . 1 1 10 10 ILE C C 13 172.4620 0.3000 . 1 . . . . A 9 ILE C . 34039 1 141 . 1 1 10 10 ILE CA C 13 58.8060 0.3000 . 1 . . . . A 9 ILE CA . 34039 1 142 . 1 1 10 10 ILE CB C 13 34.9220 0.3000 . 1 . . . . A 9 ILE CB . 34039 1 143 . 1 1 10 10 ILE CG1 C 13 24.8970 0.3000 . 1 . . . . A 9 ILE CG1 . 34039 1 144 . 1 1 10 10 ILE CG2 C 13 15.1680 0.3000 . 1 . . . . A 9 ILE CG2 . 34039 1 145 . 1 1 10 10 ILE CD1 C 13 9.6010 0.3000 . 1 . . . . A 9 ILE CD1 . 34039 1 146 . 1 1 10 10 ILE N N 15 124.4080 0.3000 . 1 . . . . A 9 ILE N . 34039 1 147 . 1 1 11 11 ALA H H 1 8.1290 0.0200 . 1 . . . . A 10 ALA H . 34039 1 148 . 1 1 11 11 ALA HA H 1 4.2300 0.0200 . 1 . . . . A 10 ALA HA . 34039 1 149 . 1 1 11 11 ALA HB1 H 1 1.3500 0.0200 . 1 . . . . A 10 ALA HB1 . 34039 1 150 . 1 1 11 11 ALA HB2 H 1 1.3500 0.0200 . 1 . . . . A 10 ALA HB2 . 34039 1 151 . 1 1 11 11 ALA HB3 H 1 1.3500 0.0200 . 1 . . . . A 10 ALA HB3 . 34039 1 152 . 1 1 11 11 ALA C C 13 174.5630 0.3000 . 1 . . . . A 10 ALA C . 34039 1 153 . 1 1 11 11 ALA CA C 13 51.1100 0.3000 . 1 . . . . A 10 ALA CA . 34039 1 154 . 1 1 11 11 ALA CB C 13 17.1820 0.3000 . 1 . . . . A 10 ALA CB . 34039 1 155 . 1 1 11 11 ALA N N 15 127.5130 0.3000 . 1 . . . . A 10 ALA N . 34039 1 156 . 1 1 12 12 TYR H H 1 7.4080 0.0200 . 1 . . . . A 11 TYR H . 34039 1 157 . 1 1 12 12 TYR HA H 1 5.0100 0.0200 . 1 . . . . A 11 TYR HA . 34039 1 158 . 1 1 12 12 TYR HB2 H 1 2.5980 0.0200 . 1 . . . . A 11 TYR HB2 . 34039 1 159 . 1 1 12 12 TYR HB3 H 1 3.1540 0.0200 . 1 . . . . A 11 TYR HB3 . 34039 1 160 . 1 1 12 12 TYR HD1 H 1 6.6760 0.0200 . 3 . . . . A 11 TYR HD1 . 34039 1 161 . 1 1 12 12 TYR HD2 H 1 6.6760 0.0200 . 3 . . . . A 11 TYR HD2 . 34039 1 162 . 1 1 12 12 TYR HE1 H 1 6.7420 0.0200 . 3 . . . . A 11 TYR HE1 . 34039 1 163 . 1 1 12 12 TYR HE2 H 1 6.7420 0.0200 . 3 . . . . A 11 TYR HE2 . 34039 1 164 . 1 1 12 12 TYR C C 13 170.3820 0.3000 . 1 . . . . A 11 TYR C . 34039 1 165 . 1 1 12 12 TYR CA C 13 53.7420 0.3000 . 1 . . . . A 11 TYR CA . 34039 1 166 . 1 1 12 12 TYR CB C 13 38.9120 0.3000 . 1 . . . . A 11 TYR CB . 34039 1 167 . 1 1 12 12 TYR CD1 C 13 130.6680 0.3000 . 1 . . . . A 11 TYR CD1 . 34039 1 168 . 1 1 12 12 TYR CD2 C 13 131.0050 0.3000 . 1 . . . . A 11 TYR CD2 . 34039 1 169 . 1 1 12 12 TYR CE1 C 13 115.6930 0.3000 . 1 . . . . A 11 TYR CE1 . 34039 1 170 . 1 1 12 12 TYR CE2 C 13 116.0280 0.3000 . 1 . . . . A 11 TYR CE2 . 34039 1 171 . 1 1 12 12 TYR N N 15 113.7240 0.3000 . 1 . . . . A 11 TYR N . 34039 1 172 . 1 1 13 13 LYS H H 1 8.7020 0.0200 . 1 . . . . A 12 LYS H . 34039 1 173 . 1 1 13 13 LYS HA H 1 4.6420 0.0200 . 1 . . . . A 12 LYS HA . 34039 1 174 . 1 1 13 13 LYS HB2 H 1 1.6900 0.0200 . 1 . . . . A 12 LYS HB2 . 34039 1 175 . 1 1 13 13 LYS HB3 H 1 1.7830 0.0200 . 1 . . . . A 12 LYS HB3 . 34039 1 176 . 1 1 13 13 LYS HG2 H 1 1.2700 0.0200 . 1 . . . . A 12 LYS HG2 . 34039 1 177 . 1 1 13 13 LYS HG3 H 1 1.4130 0.0200 . 1 . . . . A 12 LYS HG3 . 34039 1 178 . 1 1 13 13 LYS HD2 H 1 1.6130 0.0200 . 2 . . . . A 12 LYS HD2 . 34039 1 179 . 1 1 13 13 LYS HD3 H 1 1.6130 0.0200 . 2 . . . . A 12 LYS HD3 . 34039 1 180 . 1 1 13 13 LYS HE2 H 1 2.9890 0.0200 . 2 . . . . A 12 LYS HE2 . 34039 1 181 . 1 1 13 13 LYS HE3 H 1 2.9890 0.0200 . 2 . . . . A 12 LYS HE3 . 34039 1 182 . 1 1 13 13 LYS C C 13 172.0010 0.3000 . 1 . . . . A 12 LYS C . 34039 1 183 . 1 1 13 13 LYS CA C 13 51.6720 0.3000 . 1 . . . . A 12 LYS CA . 34039 1 184 . 1 1 13 13 LYS CB C 13 33.4480 0.3000 . 1 . . . . A 12 LYS CB . 34039 1 185 . 1 1 13 13 LYS CG C 13 21.2900 0.3000 . 1 . . . . A 12 LYS CG . 34039 1 186 . 1 1 13 13 LYS CD C 13 27.0480 0.3000 . 1 . . . . A 12 LYS CD . 34039 1 187 . 1 1 13 13 LYS CE C 13 38.8150 0.3000 . 1 . . . . A 12 LYS CE . 34039 1 188 . 1 1 13 13 LYS N N 15 117.9310 0.3000 . 1 . . . . A 12 LYS N . 34039 1 189 . 1 1 14 14 THR H H 1 8.6630 0.0200 . 1 . . . . A 13 THR H . 34039 1 190 . 1 1 14 14 THR HA H 1 4.4870 0.0200 . 1 . . . . A 13 THR HA . 34039 1 191 . 1 1 14 14 THR HB H 1 4.0360 0.0200 . 1 . . . . A 13 THR HB . 34039 1 192 . 1 1 14 14 THR HG21 H 1 1.2530 0.0200 . 1 . . . . A 13 THR HG21 . 34039 1 193 . 1 1 14 14 THR HG22 H 1 1.2530 0.0200 . 1 . . . . A 13 THR HG22 . 34039 1 194 . 1 1 14 14 THR HG23 H 1 1.2530 0.0200 . 1 . . . . A 13 THR HG23 . 34039 1 195 . 1 1 14 14 THR C C 13 171.7600 0.3000 . 1 . . . . A 13 THR C . 34039 1 196 . 1 1 14 14 THR CA C 13 60.6580 0.3000 . 1 . . . . A 13 THR CA . 34039 1 197 . 1 1 14 14 THR CB C 13 66.2360 0.3000 . 1 . . . . A 13 THR CB . 34039 1 198 . 1 1 14 14 THR CG2 C 13 19.9250 0.3000 . 1 . . . . A 13 THR CG2 . 34039 1 199 . 1 1 14 14 THR N N 15 119.9400 0.3000 . 1 . . . . A 13 THR N . 34039 1 200 . 1 1 15 15 CYS H H 1 9.3900 0.0200 . 1 . . . . A 14 CYS H . 34039 1 201 . 1 1 15 15 CYS HA H 1 4.9610 0.0200 . 1 . . . . A 14 CYS HA . 34039 1 202 . 1 1 15 15 CYS HB2 H 1 2.8790 0.0200 . 1 . . . . A 14 CYS HB2 . 34039 1 203 . 1 1 15 15 CYS HB3 H 1 3.4370 0.0200 . 1 . . . . A 14 CYS HB3 . 34039 1 204 . 1 1 15 15 CYS CA C 13 49.3330 0.3000 . 1 . . . . A 14 CYS CA . 34039 1 205 . 1 1 15 15 CYS CB C 13 34.9200 0.3000 . 1 . . . . A 14 CYS CB . 34039 1 206 . 1 1 15 15 CYS N N 15 128.2520 0.3000 . 1 . . . . A 14 CYS N . 34039 1 207 . 1 1 16 16 PRO HA H 1 4.5620 0.0200 . 1 . . . . A 15 PRO HA . 34039 1 208 . 1 1 16 16 PRO HB2 H 1 1.8890 0.0200 . 1 . . . . A 15 PRO HB2 . 34039 1 209 . 1 1 16 16 PRO HB3 H 1 2.3760 0.0200 . 1 . . . . A 15 PRO HB3 . 34039 1 210 . 1 1 16 16 PRO HG2 H 1 1.8940 0.0200 . 1 . . . . A 15 PRO HG2 . 34039 1 211 . 1 1 16 16 PRO HG3 H 1 2.1350 0.0200 . 1 . . . . A 15 PRO HG3 . 34039 1 212 . 1 1 16 16 PRO HD2 H 1 3.4020 0.0200 . 1 . . . . A 15 PRO HD2 . 34039 1 213 . 1 1 16 16 PRO HD3 H 1 3.9690 0.0200 . 1 . . . . A 15 PRO HD3 . 34039 1 214 . 1 1 16 16 PRO C C 13 172.9680 0.3000 . 1 . . . . A 15 PRO C . 34039 1 215 . 1 1 16 16 PRO CA C 13 59.5270 0.3000 . 1 . . . . A 15 PRO CA . 34039 1 216 . 1 1 16 16 PRO CB C 13 29.7250 0.3000 . 1 . . . . A 15 PRO CB . 34039 1 217 . 1 1 16 16 PRO CG C 13 24.8080 0.3000 . 1 . . . . A 15 PRO CG . 34039 1 218 . 1 1 16 16 PRO CD C 13 47.9780 0.3000 . 1 . . . . A 15 PRO CD . 34039 1 219 . 1 1 17 17 GLU H H 1 8.4630 0.0200 . 1 . . . . A 16 GLU H . 34039 1 220 . 1 1 17 17 GLU HA H 1 4.0020 0.0200 . 1 . . . . A 16 GLU HA . 34039 1 221 . 1 1 17 17 GLU HB2 H 1 1.9700 0.0200 . 1 . . . . A 16 GLU HB2 . 34039 1 222 . 1 1 17 17 GLU HB3 H 1 1.9220 0.0200 . 1 . . . . A 16 GLU HB3 . 34039 1 223 . 1 1 17 17 GLU HG2 H 1 2.2650 0.0200 . 2 . . . . A 16 GLU HG2 . 34039 1 224 . 1 1 17 17 GLU HG3 H 1 2.2650 0.0200 . 2 . . . . A 16 GLU HG3 . 34039 1 225 . 1 1 17 17 GLU C C 13 174.7320 0.3000 . 1 . . . . A 16 GLU C . 34039 1 226 . 1 1 17 17 GLU CA C 13 55.5670 0.3000 . 1 . . . . A 16 GLU CA . 34039 1 227 . 1 1 17 17 GLU CB C 13 26.9390 0.3000 . 1 . . . . A 16 GLU CB . 34039 1 228 . 1 1 17 17 GLU CG C 13 33.5290 0.3000 . 1 . . . . A 16 GLU CG . 34039 1 229 . 1 1 17 17 GLU N N 15 120.8990 0.3000 . 1 . . . . A 16 GLU N . 34039 1 230 . 1 1 18 18 GLY H H 1 8.8400 0.0200 . 1 . . . . A 17 GLY H . 34039 1 231 . 1 1 18 18 GLY HA2 H 1 3.6450 0.0200 . 1 . . . . A 17 GLY HA2 . 34039 1 232 . 1 1 18 18 GLY HA3 H 1 4.2840 0.0200 . 1 . . . . A 17 GLY HA3 . 34039 1 233 . 1 1 18 18 GLY C C 13 171.2280 0.3000 . 1 . . . . A 17 GLY C . 34039 1 234 . 1 1 18 18 GLY CA C 13 42.2370 0.3000 . 1 . . . . A 17 GLY CA . 34039 1 235 . 1 1 18 18 GLY N N 15 112.7900 0.3000 . 1 . . . . A 17 GLY N . 34039 1 236 . 1 1 19 19 LYS H H 1 7.6200 0.0200 . 1 . . . . A 18 LYS H . 34039 1 237 . 1 1 19 19 LYS HA H 1 4.2580 0.0200 . 1 . . . . A 18 LYS HA . 34039 1 238 . 1 1 19 19 LYS HB2 H 1 1.3220 0.0200 . 1 . . . . A 18 LYS HB2 . 34039 1 239 . 1 1 19 19 LYS HB3 H 1 1.9260 0.0200 . 1 . . . . A 18 LYS HB3 . 34039 1 240 . 1 1 19 19 LYS HG2 H 1 1.0660 0.0200 . 1 . . . . A 18 LYS HG2 . 34039 1 241 . 1 1 19 19 LYS HG3 H 1 1.3520 0.0200 . 1 . . . . A 18 LYS HG3 . 34039 1 242 . 1 1 19 19 LYS HD2 H 1 1.3650 0.0200 . 2 . . . . A 18 LYS HD2 . 34039 1 243 . 1 1 19 19 LYS HD3 H 1 1.3650 0.0200 . 2 . . . . A 18 LYS HD3 . 34039 1 244 . 1 1 19 19 LYS HE2 H 1 2.9380 0.0200 . 2 . . . . A 18 LYS HE2 . 34039 1 245 . 1 1 19 19 LYS HE3 H 1 2.9380 0.0200 . 2 . . . . A 18 LYS HE3 . 34039 1 246 . 1 1 19 19 LYS C C 13 171.9290 0.3000 . 1 . . . . A 18 LYS C . 34039 1 247 . 1 1 19 19 LYS CA C 13 53.0070 0.3000 . 1 . . . . A 18 LYS CA . 34039 1 248 . 1 1 19 19 LYS CB C 13 29.3590 0.3000 . 1 . . . . A 18 LYS CB . 34039 1 249 . 1 1 19 19 LYS CG C 13 23.1770 0.3000 . 1 . . . . A 18 LYS CG . 34039 1 250 . 1 1 19 19 LYS CD C 13 26.9050 0.3000 . 1 . . . . A 18 LYS CD . 34039 1 251 . 1 1 19 19 LYS CE C 13 39.9200 0.3000 . 1 . . . . A 18 LYS CE . 34039 1 252 . 1 1 19 19 LYS N N 15 120.6750 0.3000 . 1 . . . . A 18 LYS N . 34039 1 253 . 1 1 20 20 ASN H H 1 7.8490 0.0200 . 1 . . . . A 19 ASN H . 34039 1 254 . 1 1 20 20 ASN HA H 1 4.8870 0.0200 . 1 . . . . A 19 ASN HA . 34039 1 255 . 1 1 20 20 ASN HB2 H 1 2.6190 0.0200 . 1 . . . . A 19 ASN HB2 . 34039 1 256 . 1 1 20 20 ASN HB3 H 1 2.9680 0.0200 . 1 . . . . A 19 ASN HB3 . 34039 1 257 . 1 1 20 20 ASN HD21 H 1 7.3880 0.0200 . 1 . . . . A 19 ASN HD21 . 34039 1 258 . 1 1 20 20 ASN HD22 H 1 6.9200 0.0200 . 1 . . . . A 19 ASN HD22 . 34039 1 259 . 1 1 20 20 ASN C C 13 171.0350 0.3000 . 1 . . . . A 19 ASN C . 34039 1 260 . 1 1 20 20 ASN CA C 13 50.6020 0.3000 . 1 . . . . A 19 ASN CA . 34039 1 261 . 1 1 20 20 ASN CB C 13 36.9690 0.3000 . 1 . . . . A 19 ASN CB . 34039 1 262 . 1 1 20 20 ASN N N 15 118.8510 0.3000 . 1 . . . . A 19 ASN N . 34039 1 263 . 1 1 20 20 ASN ND2 N 15 112.5950 0.3000 . 1 . . . . A 19 ASN ND2 . 34039 1 264 . 1 1 21 21 LEU H H 1 8.1630 0.0200 . 1 . . . . A 20 LEU H . 34039 1 265 . 1 1 21 21 LEU HA H 1 4.8000 0.0200 . 1 . . . . A 20 LEU HA . 34039 1 266 . 1 1 21 21 LEU HB2 H 1 1.3700 0.0200 . 1 . . . . A 20 LEU HB2 . 34039 1 267 . 1 1 21 21 LEU HB3 H 1 1.6470 0.0200 . 1 . . . . A 20 LEU HB3 . 34039 1 268 . 1 1 21 21 LEU HG H 1 1.4740 0.0200 . 1 . . . . A 20 LEU HG . 34039 1 269 . 1 1 21 21 LEU HD11 H 1 0.7000 0.0200 . 1 . . . . A 20 LEU HD11 . 34039 1 270 . 1 1 21 21 LEU HD12 H 1 0.7000 0.0200 . 1 . . . . A 20 LEU HD12 . 34039 1 271 . 1 1 21 21 LEU HD13 H 1 0.7000 0.0200 . 1 . . . . A 20 LEU HD13 . 34039 1 272 . 1 1 21 21 LEU HD21 H 1 0.8780 0.0200 . 1 . . . . A 20 LEU HD21 . 34039 1 273 . 1 1 21 21 LEU HD22 H 1 0.8780 0.0200 . 1 . . . . A 20 LEU HD22 . 34039 1 274 . 1 1 21 21 LEU HD23 H 1 0.8780 0.0200 . 1 . . . . A 20 LEU HD23 . 34039 1 275 . 1 1 21 21 LEU C C 13 173.1130 0.3000 . 1 . . . . A 20 LEU C . 34039 1 276 . 1 1 21 21 LEU CA C 13 51.4660 0.3000 . 1 . . . . A 20 LEU CA . 34039 1 277 . 1 1 21 21 LEU CB C 13 43.5320 0.3000 . 1 . . . . A 20 LEU CB . 34039 1 278 . 1 1 21 21 LEU CG C 13 24.0870 0.3000 . 1 . . . . A 20 LEU CG . 34039 1 279 . 1 1 21 21 LEU CD1 C 13 24.7740 0.3000 . 1 . . . . A 20 LEU CD1 . 34039 1 280 . 1 1 21 21 LEU CD2 C 13 21.4100 0.3000 . 1 . . . . A 20 LEU CD2 . 34039 1 281 . 1 1 21 21 LEU N N 15 118.9780 0.3000 . 1 . . . . A 20 LEU N . 34039 1 282 . 1 1 22 22 CYS H H 1 8.9070 0.0200 . 1 . . . . A 21 CYS H . 34039 1 283 . 1 1 22 22 CYS HA H 1 6.0580 0.0200 . 1 . . . . A 21 CYS HA . 34039 1 284 . 1 1 22 22 CYS HB2 H 1 3.0130 0.0200 . 1 . . . . A 21 CYS HB2 . 34039 1 285 . 1 1 22 22 CYS HB3 H 1 2.9480 0.0200 . 1 . . . . A 21 CYS HB3 . 34039 1 286 . 1 1 22 22 CYS C C 13 173.5240 0.3000 . 1 . . . . A 21 CYS C . 34039 1 287 . 1 1 22 22 CYS CA C 13 49.1980 0.3000 . 1 . . . . A 21 CYS CA . 34039 1 288 . 1 1 22 22 CYS CB C 13 36.2870 0.3000 . 1 . . . . A 21 CYS CB . 34039 1 289 . 1 1 22 22 CYS N N 15 115.4870 0.3000 . 1 . . . . A 21 CYS N . 34039 1 290 . 1 1 23 23 TYR H H 1 9.1120 0.0200 . 1 . . . . A 22 TYR H . 34039 1 291 . 1 1 23 23 TYR HA H 1 6.0570 0.0200 . 1 . . . . A 22 TYR HA . 34039 1 292 . 1 1 23 23 TYR HB2 H 1 2.9790 0.0200 . 1 . . . . A 22 TYR HB2 . 34039 1 293 . 1 1 23 23 TYR HB3 H 1 3.1120 0.0200 . 1 . . . . A 22 TYR HB3 . 34039 1 294 . 1 1 23 23 TYR HD1 H 1 6.5340 0.0200 . 3 . . . . A 22 TYR HD1 . 34039 1 295 . 1 1 23 23 TYR HD2 H 1 6.5340 0.0200 . 3 . . . . A 22 TYR HD2 . 34039 1 296 . 1 1 23 23 TYR HE1 H 1 6.5510 0.0200 . 3 . . . . A 22 TYR HE1 . 34039 1 297 . 1 1 23 23 TYR HE2 H 1 6.5510 0.0200 . 3 . . . . A 22 TYR HE2 . 34039 1 298 . 1 1 23 23 TYR C C 13 172.4360 0.3000 . 1 . . . . A 22 TYR C . 34039 1 299 . 1 1 23 23 TYR CA C 13 53.5830 0.3000 . 1 . . . . A 22 TYR CA . 34039 1 300 . 1 1 23 23 TYR CB C 13 41.6060 0.3000 . 1 . . . . A 22 TYR CB . 34039 1 301 . 1 1 23 23 TYR CD1 C 13 130.7180 0.3000 . 1 . . . . A 22 TYR CD1 . 34039 1 302 . 1 1 23 23 TYR CD2 C 13 131.0050 0.3000 . 1 . . . . A 22 TYR CD2 . 34039 1 303 . 1 1 23 23 TYR CE1 C 13 114.9450 0.3000 . 1 . . . . A 22 TYR CE1 . 34039 1 304 . 1 1 23 23 TYR CE2 C 13 115.2800 0.3000 . 1 . . . . A 22 TYR CE2 . 34039 1 305 . 1 1 23 23 TYR N N 15 115.7200 0.3000 . 1 . . . . A 22 TYR N . 34039 1 306 . 1 1 24 24 LYS H H 1 9.0190 0.0200 . 1 . . . . A 23 LYS H . 34039 1 307 . 1 1 24 24 LYS HA H 1 4.8150 0.0200 . 1 . . . . A 23 LYS HA . 34039 1 308 . 1 1 24 24 LYS HB2 H 1 1.5020 0.0200 . 1 . . . . A 23 LYS HB2 . 34039 1 309 . 1 1 24 24 LYS HB3 H 1 1.6330 0.0200 . 1 . . . . A 23 LYS HB3 . 34039 1 310 . 1 1 24 24 LYS HG2 H 1 1.3840 0.0200 . 1 . . . . A 23 LYS HG2 . 34039 1 311 . 1 1 24 24 LYS HG3 H 1 1.4530 0.0200 . 1 . . . . A 23 LYS HG3 . 34039 1 312 . 1 1 24 24 LYS HD2 H 1 1.7090 0.0200 . 1 . . . . A 23 LYS HD2 . 34039 1 313 . 1 1 24 24 LYS HD3 H 1 1.7500 0.0200 . 1 . . . . A 23 LYS HD3 . 34039 1 314 . 1 1 24 24 LYS HE2 H 1 2.9520 0.0200 . 1 . . . . A 23 LYS HE2 . 34039 1 315 . 1 1 24 24 LYS HE3 H 1 3.0810 0.0200 . 1 . . . . A 23 LYS HE3 . 34039 1 316 . 1 1 24 24 LYS C C 13 170.3820 0.3000 . 1 . . . . A 23 LYS C . 34039 1 317 . 1 1 24 24 LYS CA C 13 52.4850 0.3000 . 1 . . . . A 23 LYS CA . 34039 1 318 . 1 1 24 24 LYS CB C 13 34.0210 0.3000 . 1 . . . . A 23 LYS CB . 34039 1 319 . 1 1 24 24 LYS CG C 13 21.8690 0.3000 . 1 . . . . A 23 LYS CG . 34039 1 320 . 1 1 24 24 LYS CD C 13 27.4270 0.3000 . 1 . . . . A 23 LYS CD . 34039 1 321 . 1 1 24 24 LYS CE C 13 39.2460 0.3000 . 1 . . . . A 23 LYS CE . 34039 1 322 . 1 1 24 24 LYS N N 15 120.1850 0.3000 . 1 . . . . A 23 LYS N . 34039 1 323 . 1 1 25 25 MET H H 1 8.2010 0.0200 . 1 . . . . A 24 MET H . 34039 1 324 . 1 1 25 25 MET HA H 1 5.1130 0.0200 . 1 . . . . A 24 MET HA . 34039 1 325 . 1 1 25 25 MET HB2 H 1 1.5640 0.0200 . 1 . . . . A 24 MET HB2 . 34039 1 326 . 1 1 25 25 MET HB3 H 1 1.7480 0.0200 . 1 . . . . A 24 MET HB3 . 34039 1 327 . 1 1 25 25 MET HG2 H 1 1.2500 0.0200 . 1 . . . . A 24 MET HG2 . 34039 1 328 . 1 1 25 25 MET HG3 H 1 1.6860 0.0200 . 1 . . . . A 24 MET HG3 . 34039 1 329 . 1 1 25 25 MET HE1 H 1 1.8470 0.0200 . 1 . . . . A 24 MET HE1 . 34039 1 330 . 1 1 25 25 MET HE2 H 1 1.8470 0.0200 . 1 . . . . A 24 MET HE2 . 34039 1 331 . 1 1 25 25 MET HE3 H 1 1.8470 0.0200 . 1 . . . . A 24 MET HE3 . 34039 1 332 . 1 1 25 25 MET C C 13 170.6000 0.3000 . 1 . . . . A 24 MET C . 34039 1 333 . 1 1 25 25 MET CA C 13 50.9460 0.3000 . 1 . . . . A 24 MET CA . 34039 1 334 . 1 1 25 25 MET CB C 13 35.9910 0.3000 . 1 . . . . A 24 MET CB . 34039 1 335 . 1 1 25 25 MET CG C 13 29.7790 0.3000 . 1 . . . . A 24 MET CG . 34039 1 336 . 1 1 25 25 MET CE C 13 16.1220 0.3000 . 1 . . . . A 24 MET CE . 34039 1 337 . 1 1 25 25 MET N N 15 122.4670 0.3000 . 1 . . . . A 24 MET N . 34039 1 338 . 1 1 26 26 PHE H H 1 9.4590 0.0200 . 1 . . . . A 25 PHE H . 34039 1 339 . 1 1 26 26 PHE HA H 1 4.8280 0.0200 . 1 . . . . A 25 PHE HA . 34039 1 340 . 1 1 26 26 PHE HB2 H 1 2.4360 0.0200 . 1 . . . . A 25 PHE HB2 . 34039 1 341 . 1 1 26 26 PHE HB3 H 1 3.3590 0.0200 . 1 . . . . A 25 PHE HB3 . 34039 1 342 . 1 1 26 26 PHE HD1 H 1 7.0610 0.0200 . 3 . . . . A 25 PHE HD1 . 34039 1 343 . 1 1 26 26 PHE HD2 H 1 7.0610 0.0200 . 3 . . . . A 25 PHE HD2 . 34039 1 344 . 1 1 26 26 PHE HE1 H 1 7.1300 0.0200 . 3 . . . . A 25 PHE HE1 . 34039 1 345 . 1 1 26 26 PHE HE2 H 1 7.1300 0.0200 . 3 . . . . A 25 PHE HE2 . 34039 1 346 . 1 1 26 26 PHE HZ H 1 6.8990 0.0200 . 1 . . . . A 25 PHE HZ . 34039 1 347 . 1 1 26 26 PHE C C 13 173.8380 0.3000 . 1 . . . . A 25 PHE C . 34039 1 348 . 1 1 26 26 PHE CA C 13 53.7870 0.3000 . 1 . . . . A 25 PHE CA . 34039 1 349 . 1 1 26 26 PHE CB C 13 39.8640 0.3000 . 1 . . . . A 25 PHE CB . 34039 1 350 . 1 1 26 26 PHE CD1 C 13 129.5880 0.3000 . 1 . . . . A 25 PHE CD1 . 34039 1 351 . 1 1 26 26 PHE CD2 C 13 129.8080 0.3000 . 1 . . . . A 25 PHE CD2 . 34039 1 352 . 1 1 26 26 PHE CE1 C 13 126.5020 0.3000 . 1 . . . . A 25 PHE CE1 . 34039 1 353 . 1 1 26 26 PHE CE2 C 13 126.7890 0.3000 . 1 . . . . A 25 PHE CE2 . 34039 1 354 . 1 1 26 26 PHE CZ C 13 128.4590 0.3000 . 1 . . . . A 25 PHE CZ . 34039 1 355 . 1 1 26 26 PHE N N 15 124.9670 0.3000 . 1 . . . . A 25 PHE N . 34039 1 356 . 1 1 27 27 MET H H 1 9.2280 0.0200 . 1 . . . . A 26 MET H . 34039 1 357 . 1 1 27 27 MET HA H 1 5.0760 0.0200 . 1 . . . . A 26 MET HA . 34039 1 358 . 1 1 27 27 MET HB2 H 1 2.0050 0.0200 . 1 . . . . A 26 MET HB2 . 34039 1 359 . 1 1 27 27 MET HB3 H 1 2.3260 0.0200 . 1 . . . . A 26 MET HB3 . 34039 1 360 . 1 1 27 27 MET HG2 H 1 2.6050 0.0200 . 1 . . . . A 26 MET HG2 . 34039 1 361 . 1 1 27 27 MET HG3 H 1 2.8460 0.0200 . 1 . . . . A 26 MET HG3 . 34039 1 362 . 1 1 27 27 MET HE1 H 1 2.0390 0.0200 . 1 . . . . A 26 MET HE1 . 34039 1 363 . 1 1 27 27 MET HE2 H 1 2.0390 0.0200 . 1 . . . . A 26 MET HE2 . 34039 1 364 . 1 1 27 27 MET HE3 H 1 2.0390 0.0200 . 1 . . . . A 26 MET HE3 . 34039 1 365 . 1 1 27 27 MET C C 13 175.7470 0.3000 . 1 . . . . A 26 MET C . 34039 1 366 . 1 1 27 27 MET CA C 13 51.3820 0.3000 . 1 . . . . A 26 MET CA . 34039 1 367 . 1 1 27 27 MET CB C 13 27.9430 0.3000 . 1 . . . . A 26 MET CB . 34039 1 368 . 1 1 27 27 MET CG C 13 29.2980 0.3000 . 1 . . . . A 26 MET CG . 34039 1 369 . 1 1 27 27 MET CE C 13 13.9120 0.3000 . 1 . . . . A 26 MET CE . 34039 1 370 . 1 1 27 27 MET N N 15 119.6750 0.3000 . 1 . . . . A 26 MET N . 34039 1 371 . 1 1 28 28 MET H H 1 8.2920 0.0200 . 1 . . . . A 27 MET H . 34039 1 372 . 1 1 28 28 MET HA H 1 4.1130 0.0200 . 1 . . . . A 27 MET HA . 34039 1 373 . 1 1 28 28 MET HB2 H 1 1.8880 0.0200 . 1 . . . . A 27 MET HB2 . 34039 1 374 . 1 1 28 28 MET HB3 H 1 2.0020 0.0200 . 1 . . . . A 27 MET HB3 . 34039 1 375 . 1 1 28 28 MET HG2 H 1 1.9970 0.0200 . 1 . . . . A 27 MET HG2 . 34039 1 376 . 1 1 28 28 MET HG3 H 1 2.5970 0.0200 . 1 . . . . A 27 MET HG3 . 34039 1 377 . 1 1 28 28 MET HE1 H 1 2.0530 0.0200 . 1 . . . . A 27 MET HE1 . 34039 1 378 . 1 1 28 28 MET HE2 H 1 2.0530 0.0200 . 1 . . . . A 27 MET HE2 . 34039 1 379 . 1 1 28 28 MET HE3 H 1 2.0530 0.0200 . 1 . . . . A 27 MET HE3 . 34039 1 380 . 1 1 28 28 MET C C 13 173.3550 0.3000 . 1 . . . . A 27 MET C . 34039 1 381 . 1 1 28 28 MET CA C 13 54.2600 0.3000 . 1 . . . . A 27 MET CA . 34039 1 382 . 1 1 28 28 MET CB C 13 28.4010 0.3000 . 1 . . . . A 27 MET CB . 34039 1 383 . 1 1 28 28 MET CG C 13 29.9870 0.3000 . 1 . . . . A 27 MET CG . 34039 1 384 . 1 1 28 28 MET CE C 13 13.3270 0.3000 . 1 . . . . A 27 MET CE . 34039 1 385 . 1 1 28 28 MET N N 15 121.6370 0.3000 . 1 . . . . A 27 MET N . 34039 1 386 . 1 1 29 29 SER H H 1 7.6050 0.0200 . 1 . . . . A 28 SER H . 34039 1 387 . 1 1 29 29 SER HA H 1 4.1700 0.0200 . 1 . . . . A 28 SER HA . 34039 1 388 . 1 1 29 29 SER HB2 H 1 4.0150 0.0200 . 1 . . . . A 28 SER HB2 . 34039 1 389 . 1 1 29 29 SER HB3 H 1 3.7800 0.0200 . 1 . . . . A 28 SER HB3 . 34039 1 390 . 1 1 29 29 SER C C 13 173.8950 0.3000 . 1 . . . . A 28 SER C . 34039 1 391 . 1 1 29 29 SER CA C 13 52.9600 0.3000 . 1 . . . . A 28 SER CA . 34039 1 392 . 1 1 29 29 SER CB C 13 60.4300 0.3000 . 1 . . . . A 28 SER CB . 34039 1 393 . 1 1 29 29 SER N N 15 109.4630 0.3000 . 1 . . . . A 28 SER N . 34039 1 394 . 1 1 30 30 ASP H H 1 7.8720 0.0200 . 1 . . . . A 29 ASP H . 34039 1 395 . 1 1 30 30 ASP HA H 1 4.6290 0.0200 . 1 . . . . A 29 ASP HA . 34039 1 396 . 1 1 30 30 ASP HB2 H 1 2.6670 0.0200 . 1 . . . . A 29 ASP HB2 . 34039 1 397 . 1 1 30 30 ASP HB3 H 1 2.8760 0.0200 . 1 . . . . A 29 ASP HB3 . 34039 1 398 . 1 1 30 30 ASP C C 13 172.4120 0.3000 . 1 . . . . A 29 ASP C . 34039 1 399 . 1 1 30 30 ASP CA C 13 52.4700 0.3000 . 1 . . . . A 29 ASP CA . 34039 1 400 . 1 1 30 30 ASP N N 15 119.9450 0.3000 . 1 . . . . A 29 ASP N . 34039 1 401 . 1 1 31 31 LEU H H 1 8.7270 0.0200 . 1 . . . . A 30 LEU H . 34039 1 402 . 1 1 31 31 LEU HA H 1 3.9990 0.0200 . 1 . . . . A 30 LEU HA . 34039 1 403 . 1 1 31 31 LEU HB2 H 1 1.3300 0.0200 . 1 . . . . A 30 LEU HB2 . 34039 1 404 . 1 1 31 31 LEU HB3 H 1 1.5020 0.0200 . 1 . . . . A 30 LEU HB3 . 34039 1 405 . 1 1 31 31 LEU HG H 1 1.5880 0.0200 . 1 . . . . A 30 LEU HG . 34039 1 406 . 1 1 31 31 LEU HD11 H 1 0.6950 0.0200 . 1 . . . . A 30 LEU HD11 . 34039 1 407 . 1 1 31 31 LEU HD12 H 1 0.6950 0.0200 . 1 . . . . A 30 LEU HD12 . 34039 1 408 . 1 1 31 31 LEU HD13 H 1 0.6950 0.0200 . 1 . . . . A 30 LEU HD13 . 34039 1 409 . 1 1 31 31 LEU HD21 H 1 0.7850 0.0200 . 1 . . . . A 30 LEU HD21 . 34039 1 410 . 1 1 31 31 LEU HD22 H 1 0.7850 0.0200 . 1 . . . . A 30 LEU HD22 . 34039 1 411 . 1 1 31 31 LEU HD23 H 1 0.7850 0.0200 . 1 . . . . A 30 LEU HD23 . 34039 1 412 . 1 1 31 31 LEU C C 13 173.5000 0.3000 . 1 . . . . A 30 LEU C . 34039 1 413 . 1 1 31 31 LEU CA C 13 52.5710 0.3000 . 1 . . . . A 30 LEU CA . 34039 1 414 . 1 1 31 31 LEU CB C 13 37.8710 0.3000 . 1 . . . . A 30 LEU CB . 34039 1 415 . 1 1 31 31 LEU CG C 13 24.0730 0.3000 . 1 . . . . A 30 LEU CG . 34039 1 416 . 1 1 31 31 LEU CD1 C 13 20.8490 0.3000 . 1 . . . . A 30 LEU CD1 . 34039 1 417 . 1 1 31 31 LEU CD2 C 13 22.8240 0.3000 . 1 . . . . A 30 LEU CD2 . 34039 1 418 . 1 1 31 31 LEU N N 15 125.0800 0.3000 . 1 . . . . A 30 LEU N . 34039 1 419 . 1 1 32 32 THR H H 1 8.6570 0.0200 . 1 . . . . A 31 THR H . 34039 1 420 . 1 1 32 32 THR HA H 1 4.3700 0.0200 . 1 . . . . A 31 THR HA . 34039 1 421 . 1 1 32 32 THR HB H 1 4.2790 0.0200 . 1 . . . . A 31 THR HB . 34039 1 422 . 1 1 32 32 THR HG21 H 1 1.1900 0.0200 . 1 . . . . A 31 THR HG21 . 34039 1 423 . 1 1 32 32 THR HG22 H 1 1.1900 0.0200 . 1 . . . . A 31 THR HG22 . 34039 1 424 . 1 1 32 32 THR HG23 H 1 1.1900 0.0200 . 1 . . . . A 31 THR HG23 . 34039 1 425 . 1 1 32 32 THR C C 13 175.9160 0.3000 . 1 . . . . A 31 THR C . 34039 1 426 . 1 1 32 32 THR CA C 13 60.6360 0.3000 . 1 . . . . A 31 THR CA . 34039 1 427 . 1 1 32 32 THR CB C 13 67.2840 0.3000 . 1 . . . . A 31 THR CB . 34039 1 428 . 1 1 32 32 THR CG2 C 13 19.1070 0.3000 . 1 . . . . A 31 THR CG2 . 34039 1 429 . 1 1 32 32 THR N N 15 109.4830 0.3000 . 1 . . . . A 31 THR N . 34039 1 430 . 1 1 33 33 ILE H H 1 7.0530 0.0200 . 1 . . . . A 32 ILE H . 34039 1 431 . 1 1 33 33 ILE HA H 1 4.8100 0.0200 . 1 . . . . A 32 ILE HA . 34039 1 432 . 1 1 33 33 ILE HB H 1 1.8510 0.0200 . 1 . . . . A 32 ILE HB . 34039 1 433 . 1 1 33 33 ILE HG12 H 1 1.1830 0.0200 . 1 . . . . A 32 ILE HG12 . 34039 1 434 . 1 1 33 33 ILE HG13 H 1 1.6180 0.0200 . 1 . . . . A 32 ILE HG13 . 34039 1 435 . 1 1 33 33 ILE HG21 H 1 0.9050 0.0200 . 1 . . . . A 32 ILE HG21 . 34039 1 436 . 1 1 33 33 ILE HG22 H 1 0.9050 0.0200 . 1 . . . . A 32 ILE HG22 . 34039 1 437 . 1 1 33 33 ILE HG23 H 1 0.9050 0.0200 . 1 . . . . A 32 ILE HG23 . 34039 1 438 . 1 1 33 33 ILE HD11 H 1 0.8200 0.0200 . 1 . . . . A 32 ILE HD11 . 34039 1 439 . 1 1 33 33 ILE HD12 H 1 0.8200 0.0200 . 1 . . . . A 32 ILE HD12 . 34039 1 440 . 1 1 33 33 ILE HD13 H 1 0.8200 0.0200 . 1 . . . . A 32 ILE HD13 . 34039 1 441 . 1 1 33 33 ILE CA C 13 54.8620 0.3000 . 1 . . . . A 32 ILE CA . 34039 1 442 . 1 1 33 33 ILE CB C 13 38.0820 0.3000 . 1 . . . . A 32 ILE CB . 34039 1 443 . 1 1 33 33 ILE CG1 C 13 24.2740 0.3000 . 1 . . . . A 32 ILE CG1 . 34039 1 444 . 1 1 33 33 ILE CG2 C 13 14.0550 0.3000 . 1 . . . . A 32 ILE CG2 . 34039 1 445 . 1 1 33 33 ILE CD1 C 13 9.8890 0.3000 . 1 . . . . A 32 ILE CD1 . 34039 1 446 . 1 1 33 33 ILE N N 15 121.8270 0.3000 . 1 . . . . A 32 ILE N . 34039 1 447 . 1 1 34 34 PRO HA H 1 4.0010 0.0200 . 1 . . . . A 33 PRO HA . 34039 1 448 . 1 1 34 34 PRO HB2 H 1 1.1700 0.0200 . 1 . . . . A 33 PRO HB2 . 34039 1 449 . 1 1 34 34 PRO HB3 H 1 1.4640 0.0200 . 1 . . . . A 33 PRO HB3 . 34039 1 450 . 1 1 34 34 PRO HG2 H 1 1.6830 0.0200 . 1 . . . . A 33 PRO HG2 . 34039 1 451 . 1 1 34 34 PRO HG3 H 1 1.8770 0.0200 . 1 . . . . A 33 PRO HG3 . 34039 1 452 . 1 1 34 34 PRO HD2 H 1 3.8280 0.0200 . 1 . . . . A 33 PRO HD2 . 34039 1 453 . 1 1 34 34 PRO HD3 H 1 3.9070 0.0200 . 1 . . . . A 33 PRO HD3 . 34039 1 454 . 1 1 34 34 PRO C C 13 173.6200 0.3000 . 1 . . . . A 33 PRO C . 34039 1 455 . 1 1 34 34 PRO CA C 13 59.7450 0.3000 . 1 . . . . A 33 PRO CA . 34039 1 456 . 1 1 34 34 PRO CB C 13 29.1540 0.3000 . 1 . . . . A 33 PRO CB . 34039 1 457 . 1 1 34 34 PRO CG C 13 24.0770 0.3000 . 1 . . . . A 33 PRO CG . 34039 1 458 . 1 1 34 34 PRO CD C 13 48.2150 0.3000 . 1 . . . . A 33 PRO CD . 34039 1 459 . 1 1 35 35 VAL H H 1 8.6880 0.0200 . 1 . . . . A 34 VAL H . 34039 1 460 . 1 1 35 35 VAL HA H 1 4.3120 0.0200 . 1 . . . . A 34 VAL HA . 34039 1 461 . 1 1 35 35 VAL HB H 1 2.1860 0.0200 . 1 . . . . A 34 VAL HB . 34039 1 462 . 1 1 35 35 VAL HG11 H 1 0.8420 0.0200 . 1 . . . . A 34 VAL HG11 . 34039 1 463 . 1 1 35 35 VAL HG12 H 1 0.8420 0.0200 . 1 . . . . A 34 VAL HG12 . 34039 1 464 . 1 1 35 35 VAL HG13 H 1 0.8420 0.0200 . 1 . . . . A 34 VAL HG13 . 34039 1 465 . 1 1 35 35 VAL HG21 H 1 1.0120 0.0200 . 1 . . . . A 34 VAL HG21 . 34039 1 466 . 1 1 35 35 VAL HG22 H 1 1.0120 0.0200 . 1 . . . . A 34 VAL HG22 . 34039 1 467 . 1 1 35 35 VAL HG23 H 1 1.0120 0.0200 . 1 . . . . A 34 VAL HG23 . 34039 1 468 . 1 1 35 35 VAL C C 13 173.3790 0.3000 . 1 . . . . A 34 VAL C . 34039 1 469 . 1 1 35 35 VAL CA C 13 59.0440 0.3000 . 1 . . . . A 34 VAL CA . 34039 1 470 . 1 1 35 35 VAL CB C 13 30.1230 0.3000 . 1 . . . . A 34 VAL CB . 34039 1 471 . 1 1 35 35 VAL CG1 C 13 17.4050 0.3000 . 1 . . . . A 34 VAL CG1 . 34039 1 472 . 1 1 35 35 VAL CG2 C 13 19.3270 0.3000 . 1 . . . . A 34 VAL CG2 . 34039 1 473 . 1 1 35 35 VAL N N 15 114.5610 0.3000 . 1 . . . . A 34 VAL N . 34039 1 474 . 1 1 36 36 LYS H H 1 7.3350 0.0200 . 1 . . . . A 35 LYS H . 34039 1 475 . 1 1 36 36 LYS HA H 1 4.5320 0.0200 . 1 . . . . A 35 LYS HA . 34039 1 476 . 1 1 36 36 LYS HB2 H 1 1.6670 0.0200 . 1 . . . . A 35 LYS HB2 . 34039 1 477 . 1 1 36 36 LYS HB3 H 1 1.9660 0.0200 . 1 . . . . A 35 LYS HB3 . 34039 1 478 . 1 1 36 36 LYS HG2 H 1 1.5720 0.0200 . 1 . . . . A 35 LYS HG2 . 34039 1 479 . 1 1 36 36 LYS HG3 H 1 1.6610 0.0200 . 1 . . . . A 35 LYS HG3 . 34039 1 480 . 1 1 36 36 LYS HD2 H 1 1.7460 0.0200 . 2 . . . . A 35 LYS HD2 . 34039 1 481 . 1 1 36 36 LYS HD3 H 1 1.7460 0.0200 . 2 . . . . A 35 LYS HD3 . 34039 1 482 . 1 1 36 36 LYS HE2 H 1 3.0310 0.0200 . 2 . . . . A 35 LYS HE2 . 34039 1 483 . 1 1 36 36 LYS HE3 H 1 3.0310 0.0200 . 2 . . . . A 35 LYS HE3 . 34039 1 484 . 1 1 36 36 LYS C C 13 172.0010 0.3000 . 1 . . . . A 35 LYS C . 34039 1 485 . 1 1 36 36 LYS CA C 13 53.6840 0.3000 . 1 . . . . A 35 LYS CA . 34039 1 486 . 1 1 36 36 LYS CB C 13 35.5500 0.3000 . 1 . . . . A 35 LYS CB . 34039 1 487 . 1 1 36 36 LYS CG C 13 23.7270 0.3000 . 1 . . . . A 35 LYS CG . 34039 1 488 . 1 1 36 36 LYS CD C 13 27.1180 0.3000 . 1 . . . . A 35 LYS CD . 34039 1 489 . 1 1 36 36 LYS CE C 13 39.3520 0.3000 . 1 . . . . A 35 LYS CE . 34039 1 490 . 1 1 36 36 LYS N N 15 117.7580 0.3000 . 1 . . . . A 35 LYS N . 34039 1 491 . 1 1 37 37 ARG H H 1 8.2440 0.0200 . 1 . . . . A 36 ARG H . 34039 1 492 . 1 1 37 37 ARG HA H 1 4.3920 0.0200 . 1 . . . . A 36 ARG HA . 34039 1 493 . 1 1 37 37 ARG HB2 H 1 1.3610 0.0200 . 1 . . . . A 36 ARG HB2 . 34039 1 494 . 1 1 37 37 ARG HB3 H 1 1.5960 0.0200 . 1 . . . . A 36 ARG HB3 . 34039 1 495 . 1 1 37 37 ARG HG2 H 1 1.3960 0.0200 . 2 . . . . A 36 ARG HG2 . 34039 1 496 . 1 1 37 37 ARG HG3 H 1 1.3960 0.0200 . 2 . . . . A 36 ARG HG3 . 34039 1 497 . 1 1 37 37 ARG HD2 H 1 2.6990 0.0200 . 2 . . . . A 36 ARG HD2 . 34039 1 498 . 1 1 37 37 ARG HD3 H 1 2.6990 0.0200 . 2 . . . . A 36 ARG HD3 . 34039 1 499 . 1 1 37 37 ARG C C 13 171.4210 0.3000 . 1 . . . . A 36 ARG C . 34039 1 500 . 1 1 37 37 ARG CA C 13 52.8230 0.3000 . 1 . . . . A 36 ARG CA . 34039 1 501 . 1 1 37 37 ARG CB C 13 34.2640 0.3000 . 1 . . . . A 36 ARG CB . 34039 1 502 . 1 1 37 37 ARG CG C 13 27.3040 0.3000 . 1 . . . . A 36 ARG CG . 34039 1 503 . 1 1 37 37 ARG CD C 13 42.0810 0.3000 . 1 . . . . A 36 ARG CD . 34039 1 504 . 1 1 37 37 ARG N N 15 121.9810 0.3000 . 1 . . . . A 36 ARG N . 34039 1 505 . 1 1 38 38 GLY H H 1 6.7760 0.0200 . 1 . . . . A 37 GLY H . 34039 1 506 . 1 1 38 38 GLY HA2 H 1 3.9280 0.0200 . 1 . . . . A 37 GLY HA2 . 34039 1 507 . 1 1 38 38 GLY HA3 H 1 4.2460 0.0200 . 1 . . . . A 37 GLY HA3 . 34039 1 508 . 1 1 38 38 GLY C C 13 168.3770 0.3000 . 1 . . . . A 37 GLY C . 34039 1 509 . 1 1 38 38 GLY CA C 13 44.1450 0.3000 . 1 . . . . A 37 GLY CA . 34039 1 510 . 1 1 38 38 GLY N N 15 107.3830 0.3000 . 1 . . . . A 37 GLY N . 34039 1 511 . 1 1 39 39 CYS H H 1 8.6440 0.0200 . 1 . . . . A 38 CYS H . 34039 1 512 . 1 1 39 39 CYS HA H 1 5.9100 0.0200 . 1 . . . . A 38 CYS HA . 34039 1 513 . 1 1 39 39 CYS HB2 H 1 2.8980 0.0200 . 1 . . . . A 38 CYS HB2 . 34039 1 514 . 1 1 39 39 CYS HB3 H 1 3.4080 0.0200 . 1 . . . . A 38 CYS HB3 . 34039 1 515 . 1 1 39 39 CYS C C 13 171.1070 0.3000 . 1 . . . . A 38 CYS C . 34039 1 516 . 1 1 39 39 CYS CA C 13 53.4120 0.3000 . 1 . . . . A 38 CYS CA . 34039 1 517 . 1 1 39 39 CYS CB C 13 44.8600 0.3000 . 1 . . . . A 38 CYS CB . 34039 1 518 . 1 1 39 39 CYS N N 15 121.1540 0.3000 . 1 . . . . A 38 CYS N . 34039 1 519 . 1 1 40 40 ILE H H 1 9.7840 0.0200 . 1 . . . . A 39 ILE H . 34039 1 520 . 1 1 40 40 ILE HA H 1 4.3650 0.0200 . 1 . . . . A 39 ILE HA . 34039 1 521 . 1 1 40 40 ILE HB H 1 1.5880 0.0200 . 1 . . . . A 39 ILE HB . 34039 1 522 . 1 1 40 40 ILE HG12 H 1 1.3990 0.0200 . 1 . . . . A 39 ILE HG12 . 34039 1 523 . 1 1 40 40 ILE HG13 H 1 1.6000 0.0200 . 1 . . . . A 39 ILE HG13 . 34039 1 524 . 1 1 40 40 ILE HG21 H 1 0.4980 0.0200 . 1 . . . . A 39 ILE HG21 . 34039 1 525 . 1 1 40 40 ILE HG22 H 1 0.4980 0.0200 . 1 . . . . A 39 ILE HG22 . 34039 1 526 . 1 1 40 40 ILE HG23 H 1 0.4980 0.0200 . 1 . . . . A 39 ILE HG23 . 34039 1 527 . 1 1 40 40 ILE HD11 H 1 0.3190 0.0200 . 1 . . . . A 39 ILE HD11 . 34039 1 528 . 1 1 40 40 ILE HD12 H 1 0.3190 0.0200 . 1 . . . . A 39 ILE HD12 . 34039 1 529 . 1 1 40 40 ILE HD13 H 1 0.3190 0.0200 . 1 . . . . A 39 ILE HD13 . 34039 1 530 . 1 1 40 40 ILE C C 13 168.1840 0.3000 . 1 . . . . A 39 ILE C . 34039 1 531 . 1 1 40 40 ILE CA C 13 58.9980 0.3000 . 1 . . . . A 39 ILE CA . 34039 1 532 . 1 1 40 40 ILE CB C 13 40.0670 0.3000 . 1 . . . . A 39 ILE CB . 34039 1 533 . 1 1 40 40 ILE CG1 C 13 27.4850 0.3000 . 1 . . . . A 39 ILE CG1 . 34039 1 534 . 1 1 40 40 ILE CG2 C 13 13.9040 0.3000 . 1 . . . . A 39 ILE CG2 . 34039 1 535 . 1 1 40 40 ILE CD1 C 13 11.7440 0.3000 . 1 . . . . A 39 ILE CD1 . 34039 1 536 . 1 1 40 40 ILE N N 15 122.9590 0.3000 . 1 . . . . A 39 ILE N . 34039 1 537 . 1 1 41 41 ASP H H 1 8.6360 0.0200 . 1 . . . . A 40 ASP H . 34039 1 538 . 1 1 41 41 ASP HA H 1 4.8440 0.0200 . 1 . . . . A 40 ASP HA . 34039 1 539 . 1 1 41 41 ASP HB2 H 1 2.7620 0.0200 . 2 . . . . A 40 ASP HB2 . 34039 1 540 . 1 1 41 41 ASP HB3 H 1 2.7620 0.0200 . 2 . . . . A 40 ASP HB3 . 34039 1 541 . 1 1 41 41 ASP C C 13 172.9920 0.3000 . 1 . . . . A 40 ASP C . 34039 1 542 . 1 1 41 41 ASP CA C 13 51.8340 0.3000 . 1 . . . . A 40 ASP CA . 34039 1 543 . 1 1 41 41 ASP CB C 13 37.6340 0.3000 . 1 . . . . A 40 ASP CB . 34039 1 544 . 1 1 41 41 ASP N N 15 118.2730 0.3000 . 1 . . . . A 40 ASP N . 34039 1 545 . 1 1 42 42 VAL H H 1 7.6760 0.0200 . 1 . . . . A 41 VAL H . 34039 1 546 . 1 1 42 42 VAL HA H 1 3.9710 0.0200 . 1 . . . . A 41 VAL HA . 34039 1 547 . 1 1 42 42 VAL HB H 1 1.7300 0.0200 . 1 . . . . A 41 VAL HB . 34039 1 548 . 1 1 42 42 VAL HG11 H 1 0.7650 0.0200 . 1 . . . . A 41 VAL HG11 . 34039 1 549 . 1 1 42 42 VAL HG12 H 1 0.7650 0.0200 . 1 . . . . A 41 VAL HG12 . 34039 1 550 . 1 1 42 42 VAL HG13 H 1 0.7650 0.0200 . 1 . . . . A 41 VAL HG13 . 34039 1 551 . 1 1 42 42 VAL HG21 H 1 0.7650 0.0200 . 1 . . . . A 41 VAL HG21 . 34039 1 552 . 1 1 42 42 VAL HG22 H 1 0.7650 0.0200 . 1 . . . . A 41 VAL HG22 . 34039 1 553 . 1 1 42 42 VAL HG23 H 1 0.7650 0.0200 . 1 . . . . A 41 VAL HG23 . 34039 1 554 . 1 1 42 42 VAL C C 13 171.3490 0.3000 . 1 . . . . A 41 VAL C . 34039 1 555 . 1 1 42 42 VAL CA C 13 57.8360 0.3000 . 1 . . . . A 41 VAL CA . 34039 1 556 . 1 1 42 42 VAL CB C 13 32.7340 0.3000 . 1 . . . . A 41 VAL CB . 34039 1 557 . 1 1 42 42 VAL CG1 C 13 23.4560 0.3000 . 1 . . . . A 41 VAL CG1 . 34039 1 558 . 1 1 42 42 VAL CG2 C 13 18.0860 0.3000 . 1 . . . . A 41 VAL CG2 . 34039 1 559 . 1 1 42 42 VAL N N 15 120.1950 0.3000 . 1 . . . . A 41 VAL N . 34039 1 560 . 1 1 43 43 CYS H H 1 8.8180 0.0200 . 1 . . . . A 42 CYS H . 34039 1 561 . 1 1 43 43 CYS HA H 1 4.4180 0.0200 . 1 . . . . A 42 CYS HA . 34039 1 562 . 1 1 43 43 CYS HB2 H 1 2.7080 0.0200 . 1 . . . . A 42 CYS HB2 . 34039 1 563 . 1 1 43 43 CYS HB3 H 1 3.0580 0.0200 . 1 . . . . A 42 CYS HB3 . 34039 1 564 . 1 1 43 43 CYS CA C 13 52.4190 0.3000 . 1 . . . . A 42 CYS CA . 34039 1 565 . 1 1 43 43 CYS CB C 13 39.6590 0.3000 . 1 . . . . A 42 CYS CB . 34039 1 566 . 1 1 43 43 CYS N N 15 128.8510 0.3000 . 1 . . . . A 42 CYS N . 34039 1 567 . 1 1 44 44 PRO HA H 1 4.0490 0.0200 . 1 . . . . A 43 PRO HA . 34039 1 568 . 1 1 44 44 PRO HB2 H 1 0.5730 0.0200 . 1 . . . . A 43 PRO HB2 . 34039 1 569 . 1 1 44 44 PRO HB3 H 1 1.8320 0.0200 . 1 . . . . A 43 PRO HB3 . 34039 1 570 . 1 1 44 44 PRO HG2 H 1 0.5710 0.0200 . 1 . . . . A 43 PRO HG2 . 34039 1 571 . 1 1 44 44 PRO HG3 H 1 1.2590 0.0200 . 1 . . . . A 43 PRO HG3 . 34039 1 572 . 1 1 44 44 PRO HD2 H 1 2.3100 0.0200 . 1 . . . . A 43 PRO HD2 . 34039 1 573 . 1 1 44 44 PRO HD3 H 1 3.8630 0.0200 . 1 . . . . A 43 PRO HD3 . 34039 1 574 . 1 1 44 44 PRO C C 13 173.1670 0.3000 . 1 . . . . A 43 PRO C . 34039 1 575 . 1 1 44 44 PRO CA C 13 59.4860 0.3000 . 1 . . . . A 43 PRO CA . 34039 1 576 . 1 1 44 44 PRO CB C 13 28.7220 0.3000 . 1 . . . . A 43 PRO CB . 34039 1 577 . 1 1 44 44 PRO CG C 13 24.6910 0.3000 . 1 . . . . A 43 PRO CG . 34039 1 578 . 1 1 44 44 PRO CD C 13 48.3090 0.3000 . 1 . . . . A 43 PRO CD . 34039 1 579 . 1 1 45 45 LYS H H 1 7.8780 0.0200 . 1 . . . . A 44 LYS H . 34039 1 580 . 1 1 45 45 LYS HA H 1 4.1670 0.0200 . 1 . . . . A 44 LYS HA . 34039 1 581 . 1 1 45 45 LYS HB2 H 1 1.7330 0.0200 . 1 . . . . A 44 LYS HB2 . 34039 1 582 . 1 1 45 45 LYS HB3 H 1 1.8650 0.0200 . 1 . . . . A 44 LYS HB3 . 34039 1 583 . 1 1 45 45 LYS HG2 H 1 1.5580 0.0200 . 1 . . . . A 44 LYS HG2 . 34039 1 584 . 1 1 45 45 LYS HG3 H 1 1.6600 0.0200 . 1 . . . . A 44 LYS HG3 . 34039 1 585 . 1 1 45 45 LYS HD2 H 1 1.6190 0.0200 . 1 . . . . A 44 LYS HD2 . 34039 1 586 . 1 1 45 45 LYS HD3 H 1 1.7370 0.0200 . 1 . . . . A 44 LYS HD3 . 34039 1 587 . 1 1 45 45 LYS HE2 H 1 2.9030 0.0200 . 2 . . . . A 44 LYS HE2 . 34039 1 588 . 1 1 45 45 LYS HE3 H 1 2.9030 0.0200 . 2 . . . . A 44 LYS HE3 . 34039 1 589 . 1 1 45 45 LYS C C 13 173.8860 0.3000 . 1 . . . . A 44 LYS C . 34039 1 590 . 1 1 45 45 LYS CA C 13 53.2580 0.3000 . 1 . . . . A 44 LYS CA . 34039 1 591 . 1 1 45 45 LYS CB C 13 30.6280 0.3000 . 1 . . . . A 44 LYS CB . 34039 1 592 . 1 1 45 45 LYS CG C 13 22.1450 0.3000 . 1 . . . . A 44 LYS CG . 34039 1 593 . 1 1 45 45 LYS CD C 13 26.5570 0.3000 . 1 . . . . A 44 LYS CD . 34039 1 594 . 1 1 45 45 LYS CE C 13 39.3510 0.3000 . 1 . . . . A 44 LYS CE . 34039 1 595 . 1 1 45 45 LYS N N 15 118.5220 0.3000 . 1 . . . . A 44 LYS N . 34039 1 596 . 1 1 46 46 ASN H H 1 8.3710 0.0200 . 1 . . . . A 45 ASN H . 34039 1 597 . 1 1 46 46 ASN HA H 1 4.9260 0.0200 . 1 . . . . A 45 ASN HA . 34039 1 598 . 1 1 46 46 ASN HB2 H 1 2.8410 0.0200 . 1 . . . . A 45 ASN HB2 . 34039 1 599 . 1 1 46 46 ASN HB3 H 1 3.2350 0.0200 . 1 . . . . A 45 ASN HB3 . 34039 1 600 . 1 1 46 46 ASN HD21 H 1 7.6350 0.0200 . 1 . . . . A 45 ASN HD21 . 34039 1 601 . 1 1 46 46 ASN HD22 H 1 7.3560 0.0200 . 1 . . . . A 45 ASN HD22 . 34039 1 602 . 1 1 46 46 ASN C C 13 172.9680 0.3000 . 1 . . . . A 45 ASN C . 34039 1 603 . 1 1 46 46 ASN CA C 13 50.9610 0.3000 . 1 . . . . A 45 ASN CA . 34039 1 604 . 1 1 46 46 ASN CB C 13 36.2570 0.3000 . 1 . . . . A 45 ASN CB . 34039 1 605 . 1 1 46 46 ASN N N 15 120.2310 0.3000 . 1 . . . . A 45 ASN N . 34039 1 606 . 1 1 46 46 ASN ND2 N 15 111.9890 0.3000 . 1 . . . . A 45 ASN ND2 . 34039 1 607 . 1 1 47 47 SER H H 1 8.9930 0.0200 . 1 . . . . A 46 SER H . 34039 1 608 . 1 1 47 47 SER HA H 1 5.0010 0.0200 . 1 . . . . A 46 SER HA . 34039 1 609 . 1 1 47 47 SER HB2 H 1 4.4150 0.0200 . 1 . . . . A 46 SER HB2 . 34039 1 610 . 1 1 47 47 SER HB3 H 1 3.9520 0.0200 . 1 . . . . A 46 SER HB3 . 34039 1 611 . 1 1 47 47 SER C C 13 171.2760 0.3000 . 1 . . . . A 46 SER C . 34039 1 612 . 1 1 47 47 SER CA C 13 53.5290 0.3000 . 1 . . . . A 46 SER CA . 34039 1 613 . 1 1 47 47 SER CB C 13 64.2180 0.3000 . 1 . . . . A 46 SER CB . 34039 1 614 . 1 1 47 47 SER N N 15 117.7020 0.3000 . 1 . . . . A 46 SER N . 34039 1 615 . 1 1 48 48 LEU H H 1 8.3100 0.0200 . 1 . . . . A 47 LEU H . 34039 1 616 . 1 1 48 48 LEU HA H 1 4.2510 0.0200 . 1 . . . . A 47 LEU HA . 34039 1 617 . 1 1 48 48 LEU HB2 H 1 1.6280 0.0200 . 1 . . . . A 47 LEU HB2 . 34039 1 618 . 1 1 48 48 LEU HB3 H 1 1.6890 0.0200 . 1 . . . . A 47 LEU HB3 . 34039 1 619 . 1 1 48 48 LEU HG H 1 1.7620 0.0200 . 1 . . . . A 47 LEU HG . 34039 1 620 . 1 1 48 48 LEU HD11 H 1 0.9630 0.0200 . 1 . . . . A 47 LEU HD11 . 34039 1 621 . 1 1 48 48 LEU HD12 H 1 0.9630 0.0200 . 1 . . . . A 47 LEU HD12 . 34039 1 622 . 1 1 48 48 LEU HD13 H 1 0.9630 0.0200 . 1 . . . . A 47 LEU HD13 . 34039 1 623 . 1 1 48 48 LEU HD21 H 1 0.8950 0.0200 . 1 . . . . A 47 LEU HD21 . 34039 1 624 . 1 1 48 48 LEU HD22 H 1 0.8950 0.0200 . 1 . . . . A 47 LEU HD22 . 34039 1 625 . 1 1 48 48 LEU HD23 H 1 0.8950 0.0200 . 1 . . . . A 47 LEU HD23 . 34039 1 626 . 1 1 48 48 LEU C C 13 175.0220 0.3000 . 1 . . . . A 47 LEU C . 34039 1 627 . 1 1 48 48 LEU CA C 13 54.6350 0.3000 . 1 . . . . A 47 LEU CA . 34039 1 628 . 1 1 48 48 LEU CB C 13 39.1700 0.3000 . 1 . . . . A 47 LEU CB . 34039 1 629 . 1 1 48 48 LEU CG C 13 24.4800 0.3000 . 1 . . . . A 47 LEU CG . 34039 1 630 . 1 1 48 48 LEU CD1 C 13 22.2850 0.3000 . 1 . . . . A 47 LEU CD1 . 34039 1 631 . 1 1 48 48 LEU CD2 C 13 20.5280 0.3000 . 1 . . . . A 47 LEU CD2 . 34039 1 632 . 1 1 48 48 LEU N N 15 117.8450 0.3000 . 1 . . . . A 47 LEU N . 34039 1 633 . 1 1 49 49 LEU H H 1 8.1620 0.0200 . 1 . . . . A 48 LEU H . 34039 1 634 . 1 1 49 49 LEU HA H 1 4.4690 0.0200 . 1 . . . . A 48 LEU HA . 34039 1 635 . 1 1 49 49 LEU HB2 H 1 1.5790 0.0200 . 1 . . . . A 48 LEU HB2 . 34039 1 636 . 1 1 49 49 LEU HB3 H 1 1.6900 0.0200 . 1 . . . . A 48 LEU HB3 . 34039 1 637 . 1 1 49 49 LEU HG H 1 1.6090 0.0200 . 1 . . . . A 48 LEU HG . 34039 1 638 . 1 1 49 49 LEU HD11 H 1 0.8430 0.0200 . 1 . . . . A 48 LEU HD11 . 34039 1 639 . 1 1 49 49 LEU HD12 H 1 0.8430 0.0200 . 1 . . . . A 48 LEU HD12 . 34039 1 640 . 1 1 49 49 LEU HD13 H 1 0.8430 0.0200 . 1 . . . . A 48 LEU HD13 . 34039 1 641 . 1 1 49 49 LEU HD21 H 1 0.9120 0.0200 . 1 . . . . A 48 LEU HD21 . 34039 1 642 . 1 1 49 49 LEU HD22 H 1 0.9120 0.0200 . 1 . . . . A 48 LEU HD22 . 34039 1 643 . 1 1 49 49 LEU HD23 H 1 0.9120 0.0200 . 1 . . . . A 48 LEU HD23 . 34039 1 644 . 1 1 49 49 LEU C C 13 175.1670 0.3000 . 1 . . . . A 48 LEU C . 34039 1 645 . 1 1 49 49 LEU CA C 13 53.3910 0.3000 . 1 . . . . A 48 LEU CA . 34039 1 646 . 1 1 49 49 LEU CB C 13 42.3030 0.3000 . 1 . . . . A 48 LEU CB . 34039 1 647 . 1 1 49 49 LEU CG C 13 24.8650 0.3000 . 1 . . . . A 48 LEU CG . 34039 1 648 . 1 1 49 49 LEU CD1 C 13 20.3560 0.3000 . 1 . . . . A 48 LEU CD1 . 34039 1 649 . 1 1 49 49 LEU CD2 C 13 22.2450 0.3000 . 1 . . . . A 48 LEU CD2 . 34039 1 650 . 1 1 49 49 LEU N N 15 114.8800 0.3000 . 1 . . . . A 48 LEU N . 34039 1 651 . 1 1 50 50 VAL H H 1 7.4830 0.0200 . 1 . . . . A 49 VAL H . 34039 1 652 . 1 1 50 50 VAL HA H 1 5.0310 0.0200 . 1 . . . . A 49 VAL HA . 34039 1 653 . 1 1 50 50 VAL HB H 1 1.8460 0.0200 . 1 . . . . A 49 VAL HB . 34039 1 654 . 1 1 50 50 VAL HG11 H 1 0.9080 0.0200 . 1 . . . . A 49 VAL HG11 . 34039 1 655 . 1 1 50 50 VAL HG12 H 1 0.9080 0.0200 . 1 . . . . A 49 VAL HG12 . 34039 1 656 . 1 1 50 50 VAL HG13 H 1 0.9080 0.0200 . 1 . . . . A 49 VAL HG13 . 34039 1 657 . 1 1 50 50 VAL HG21 H 1 0.8250 0.0200 . 1 . . . . A 49 VAL HG21 . 34039 1 658 . 1 1 50 50 VAL HG22 H 1 0.8250 0.0200 . 1 . . . . A 49 VAL HG22 . 34039 1 659 . 1 1 50 50 VAL HG23 H 1 0.8250 0.0200 . 1 . . . . A 49 VAL HG23 . 34039 1 660 . 1 1 50 50 VAL C C 13 168.3290 0.3000 . 1 . . . . A 49 VAL C . 34039 1 661 . 1 1 50 50 VAL CA C 13 57.4190 0.3000 . 1 . . . . A 49 VAL CA . 34039 1 662 . 1 1 50 50 VAL CB C 13 33.7050 0.3000 . 1 . . . . A 49 VAL CB . 34039 1 663 . 1 1 50 50 VAL CG1 C 13 16.9730 0.3000 . 1 . . . . A 49 VAL CG1 . 34039 1 664 . 1 1 50 50 VAL CG2 C 13 19.5190 0.3000 . 1 . . . . A 49 VAL CG2 . 34039 1 665 . 1 1 50 50 VAL N N 15 116.0160 0.3000 . 1 . . . . A 49 VAL N . 34039 1 666 . 1 1 51 51 LYS H H 1 8.7040 0.0200 . 1 . . . . A 50 LYS H . 34039 1 667 . 1 1 51 51 LYS HA H 1 4.7720 0.0200 . 1 . . . . A 50 LYS HA . 34039 1 668 . 1 1 51 51 LYS HB2 H 1 1.6350 0.0200 . 1 . . . . A 50 LYS HB2 . 34039 1 669 . 1 1 51 51 LYS HB3 H 1 1.8070 0.0200 . 1 . . . . A 50 LYS HB3 . 34039 1 670 . 1 1 51 51 LYS HG2 H 1 1.2080 0.0200 . 1 . . . . A 50 LYS HG2 . 34039 1 671 . 1 1 51 51 LYS HG3 H 1 1.5760 0.0200 . 1 . . . . A 50 LYS HG3 . 34039 1 672 . 1 1 51 51 LYS HD2 H 1 1.4970 0.0200 . 1 . . . . A 50 LYS HD2 . 34039 1 673 . 1 1 51 51 LYS HD3 H 1 1.3420 0.0200 . 1 . . . . A 50 LYS HD3 . 34039 1 674 . 1 1 51 51 LYS HE2 H 1 2.8310 0.0200 . 2 . . . . A 50 LYS HE2 . 34039 1 675 . 1 1 51 51 LYS HE3 H 1 2.8310 0.0200 . 2 . . . . A 50 LYS HE3 . 34039 1 676 . 1 1 51 51 LYS C C 13 171.7840 0.3000 . 1 . . . . A 50 LYS C . 34039 1 677 . 1 1 51 51 LYS CA C 13 51.6620 0.3000 . 1 . . . . A 50 LYS CA . 34039 1 678 . 1 1 51 51 LYS CB C 13 34.6360 0.3000 . 1 . . . . A 50 LYS CB . 34039 1 679 . 1 1 51 51 LYS CG C 13 22.9680 0.3000 . 1 . . . . A 50 LYS CG . 34039 1 680 . 1 1 51 51 LYS CD C 13 27.1220 0.3000 . 1 . . . . A 50 LYS CD . 34039 1 681 . 1 1 51 51 LYS CE C 13 39.7230 0.3000 . 1 . . . . A 50 LYS CE . 34039 1 682 . 1 1 51 51 LYS N N 15 122.2960 0.3000 . 1 . . . . A 50 LYS N . 34039 1 683 . 1 1 52 52 TYR H H 1 9.2170 0.0200 . 1 . . . . A 51 TYR H . 34039 1 684 . 1 1 52 52 TYR HA H 1 5.3370 0.0200 . 1 . . . . A 51 TYR HA . 34039 1 685 . 1 1 52 52 TYR HB2 H 1 2.7380 0.0200 . 1 . . . . A 51 TYR HB2 . 34039 1 686 . 1 1 52 52 TYR HB3 H 1 2.9460 0.0200 . 1 . . . . A 51 TYR HB3 . 34039 1 687 . 1 1 52 52 TYR HD1 H 1 6.7890 0.0200 . 3 . . . . A 51 TYR HD1 . 34039 1 688 . 1 1 52 52 TYR HD2 H 1 6.7890 0.0200 . 3 . . . . A 51 TYR HD2 . 34039 1 689 . 1 1 52 52 TYR HE1 H 1 6.4180 0.0200 . 3 . . . . A 51 TYR HE1 . 34039 1 690 . 1 1 52 52 TYR HE2 H 1 6.4180 0.0200 . 3 . . . . A 51 TYR HE2 . 34039 1 691 . 1 1 52 52 TYR C C 13 173.1370 0.3000 . 1 . . . . A 51 TYR C . 34039 1 692 . 1 1 52 52 TYR CA C 13 54.9370 0.3000 . 1 . . . . A 51 TYR CA . 34039 1 693 . 1 1 52 52 TYR CB C 13 39.2030 0.3000 . 1 . . . . A 51 TYR CB . 34039 1 694 . 1 1 52 52 TYR CD1 C 13 130.4300 0.3000 . 1 . . . . A 51 TYR CD1 . 34039 1 695 . 1 1 52 52 TYR CD2 C 13 130.6460 0.3000 . 1 . . . . A 51 TYR CD2 . 34039 1 696 . 1 1 52 52 TYR CE1 C 13 116.0430 0.3000 . 1 . . . . A 51 TYR CE1 . 34039 1 697 . 1 1 52 52 TYR CE2 C 13 116.4100 0.3000 . 1 . . . . A 51 TYR CE2 . 34039 1 698 . 1 1 52 52 TYR N N 15 123.8440 0.3000 . 1 . . . . A 51 TYR N . 34039 1 699 . 1 1 53 53 VAL H H 1 8.9250 0.0200 . 1 . . . . A 52 VAL H . 34039 1 700 . 1 1 53 53 VAL HA H 1 4.5290 0.0200 . 1 . . . . A 52 VAL HA . 34039 1 701 . 1 1 53 53 VAL HB H 1 2.0790 0.0200 . 1 . . . . A 52 VAL HB . 34039 1 702 . 1 1 53 53 VAL HG11 H 1 1.0490 0.0200 . 1 . . . . A 52 VAL HG11 . 34039 1 703 . 1 1 53 53 VAL HG12 H 1 1.0490 0.0200 . 1 . . . . A 52 VAL HG12 . 34039 1 704 . 1 1 53 53 VAL HG13 H 1 1.0490 0.0200 . 1 . . . . A 52 VAL HG13 . 34039 1 705 . 1 1 53 53 VAL HG21 H 1 1.1230 0.0200 . 1 . . . . A 52 VAL HG21 . 34039 1 706 . 1 1 53 53 VAL HG22 H 1 1.1230 0.0200 . 1 . . . . A 52 VAL HG22 . 34039 1 707 . 1 1 53 53 VAL HG23 H 1 1.1230 0.0200 . 1 . . . . A 52 VAL HG23 . 34039 1 708 . 1 1 53 53 VAL C C 13 173.6690 0.3000 . 1 . . . . A 52 VAL C . 34039 1 709 . 1 1 53 53 VAL CA C 13 59.6680 0.3000 . 1 . . . . A 52 VAL CA . 34039 1 710 . 1 1 53 53 VAL CB C 13 32.1210 0.3000 . 1 . . . . A 52 VAL CB . 34039 1 711 . 1 1 53 53 VAL CG1 C 13 18.3460 0.3000 . 1 . . . . A 52 VAL CG1 . 34039 1 712 . 1 1 53 53 VAL CG2 C 13 18.2700 0.3000 . 1 . . . . A 52 VAL CG2 . 34039 1 713 . 1 1 53 53 VAL N N 15 121.5930 0.3000 . 1 . . . . A 52 VAL N . 34039 1 714 . 1 1 54 54 CYS H H 1 9.4820 0.0200 . 1 . . . . A 53 CYS H . 34039 1 715 . 1 1 54 54 CYS HA H 1 5.8270 0.0200 . 1 . . . . A 53 CYS HA . 34039 1 716 . 1 1 54 54 CYS HB2 H 1 3.0640 0.0200 . 1 . . . . A 53 CYS HB2 . 34039 1 717 . 1 1 54 54 CYS HB3 H 1 3.7640 0.0200 . 1 . . . . A 53 CYS HB3 . 34039 1 718 . 1 1 54 54 CYS C C 13 169.8270 0.3000 . 1 . . . . A 53 CYS C . 34039 1 719 . 1 1 54 54 CYS CA C 13 52.2920 0.3000 . 1 . . . . A 53 CYS CA . 34039 1 720 . 1 1 54 54 CYS CB C 13 46.8250 0.3000 . 1 . . . . A 53 CYS CB . 34039 1 721 . 1 1 54 54 CYS N N 15 125.4530 0.3000 . 1 . . . . A 53 CYS N . 34039 1 722 . 1 1 55 55 CYS H H 1 9.2070 0.0200 . 1 . . . . A 54 CYS H . 34039 1 723 . 1 1 55 55 CYS HA H 1 5.0780 0.0200 . 1 . . . . A 54 CYS HA . 34039 1 724 . 1 1 55 55 CYS HB2 H 1 3.3750 0.0200 . 1 . . . . A 54 CYS HB2 . 34039 1 725 . 1 1 55 55 CYS HB3 H 1 3.6060 0.0200 . 1 . . . . A 54 CYS HB3 . 34039 1 726 . 1 1 55 55 CYS C C 13 170.6720 0.3000 . 1 . . . . A 54 CYS C . 34039 1 727 . 1 1 55 55 CYS CA C 13 52.5750 0.3000 . 1 . . . . A 54 CYS CA . 34039 1 728 . 1 1 55 55 CYS CB C 13 43.3320 0.3000 . 1 . . . . A 54 CYS CB . 34039 1 729 . 1 1 55 55 CYS N N 15 118.5050 0.3000 . 1 . . . . A 54 CYS N . 34039 1 730 . 1 1 56 56 ASN H H 1 8.4880 0.0200 . 1 . . . . A 55 ASN H . 34039 1 731 . 1 1 56 56 ASN HA H 1 5.1200 0.0200 . 1 . . . . A 55 ASN HA . 34039 1 732 . 1 1 56 56 ASN HB2 H 1 2.6140 0.0200 . 1 . . . . A 55 ASN HB2 . 34039 1 733 . 1 1 56 56 ASN HB3 H 1 3.3540 0.0200 . 1 . . . . A 55 ASN HB3 . 34039 1 734 . 1 1 56 56 ASN HD21 H 1 7.4720 0.0200 . 1 . . . . A 55 ASN HD21 . 34039 1 735 . 1 1 56 56 ASN HD22 H 1 6.6740 0.0200 . 1 . . . . A 55 ASN HD22 . 34039 1 736 . 1 1 56 56 ASN C C 13 172.0500 0.3000 . 1 . . . . A 55 ASN C . 34039 1 737 . 1 1 56 56 ASN CA C 13 50.6540 0.3000 . 1 . . . . A 55 ASN CA . 34039 1 738 . 1 1 56 56 ASN CB C 13 37.3220 0.3000 . 1 . . . . A 55 ASN CB . 34039 1 739 . 1 1 56 56 ASN N N 15 118.6820 0.3000 . 1 . . . . A 55 ASN N . 34039 1 740 . 1 1 56 56 ASN ND2 N 15 109.7150 0.3000 . 1 . . . . A 55 ASN ND2 . 34039 1 741 . 1 1 57 57 THR H H 1 7.5400 0.0200 . 1 . . . . A 56 THR H . 34039 1 742 . 1 1 57 57 THR HA H 1 4.6970 0.0200 . 1 . . . . A 56 THR HA . 34039 1 743 . 1 1 57 57 THR HB H 1 4.2520 0.0200 . 1 . . . . A 56 THR HB . 34039 1 744 . 1 1 57 57 THR HG21 H 1 1.1510 0.0200 . 1 . . . . A 56 THR HG21 . 34039 1 745 . 1 1 57 57 THR HG22 H 1 1.1510 0.0200 . 1 . . . . A 56 THR HG22 . 34039 1 746 . 1 1 57 57 THR HG23 H 1 1.1510 0.0200 . 1 . . . . A 56 THR HG23 . 34039 1 747 . 1 1 57 57 THR C C 13 170.9380 0.3000 . 1 . . . . A 56 THR C . 34039 1 748 . 1 1 57 57 THR CA C 13 57.4210 0.3000 . 1 . . . . A 56 THR CA . 34039 1 749 . 1 1 57 57 THR CB C 13 69.3900 0.3000 . 1 . . . . A 56 THR CB . 34039 1 750 . 1 1 57 57 THR CG2 C 13 19.3180 0.3000 . 1 . . . . A 56 THR CG2 . 34039 1 751 . 1 1 57 57 THR N N 15 110.3150 0.3000 . 1 . . . . A 56 THR N . 34039 1 752 . 1 1 58 58 ASP H H 1 8.1500 0.0200 . 1 . . . . A 57 ASP H . 34039 1 753 . 1 1 58 58 ASP HA H 1 4.7880 0.0200 . 1 . . . . A 57 ASP HA . 34039 1 754 . 1 1 58 58 ASP HB2 H 1 2.2670 0.0200 . 1 . . . . A 57 ASP HB2 . 34039 1 755 . 1 1 58 58 ASP HB3 H 1 2.4620 0.0200 . 1 . . . . A 57 ASP HB3 . 34039 1 756 . 1 1 58 58 ASP C C 13 175.0220 0.3000 . 1 . . . . A 57 ASP C . 34039 1 757 . 1 1 58 58 ASP CA C 13 53.0750 0.3000 . 1 . . . . A 57 ASP CA . 34039 1 758 . 1 1 58 58 ASP CB C 13 39.0420 0.3000 . 1 . . . . A 57 ASP CB . 34039 1 759 . 1 1 58 58 ASP N N 15 118.3950 0.3000 . 1 . . . . A 57 ASP N . 34039 1 760 . 1 1 59 59 ARG H H 1 9.6170 0.0200 . 1 . . . . A 58 ARG H . 34039 1 761 . 1 1 59 59 ARG HA H 1 3.3770 0.0200 . 1 . . . . A 58 ARG HA . 34039 1 762 . 1 1 59 59 ARG HB2 H 1 1.6200 0.0200 . 1 . . . . A 58 ARG HB2 . 34039 1 763 . 1 1 59 59 ARG HB3 H 1 2.1530 0.0200 . 1 . . . . A 58 ARG HB3 . 34039 1 764 . 1 1 59 59 ARG HG2 H 1 0.8300 0.0200 . 1 . . . . A 58 ARG HG2 . 34039 1 765 . 1 1 59 59 ARG HG3 H 1 1.3260 0.0200 . 1 . . . . A 58 ARG HG3 . 34039 1 766 . 1 1 59 59 ARG HD2 H 1 2.2040 0.0200 . 1 . . . . A 58 ARG HD2 . 34039 1 767 . 1 1 59 59 ARG HD3 H 1 2.6010 0.0200 . 1 . . . . A 58 ARG HD3 . 34039 1 768 . 1 1 59 59 ARG HE H 1 8.1190 0.0200 . 1 . . . . A 58 ARG HE . 34039 1 769 . 1 1 59 59 ARG C C 13 172.0980 0.3000 . 1 . . . . A 58 ARG C . 34039 1 770 . 1 1 59 59 ARG CA C 13 55.4470 0.3000 . 1 . . . . A 58 ARG CA . 34039 1 771 . 1 1 59 59 ARG CB C 13 24.5960 0.3000 . 1 . . . . A 58 ARG CB . 34039 1 772 . 1 1 59 59 ARG CG C 13 25.3250 0.3000 . 1 . . . . A 58 ARG CG . 34039 1 773 . 1 1 59 59 ARG CD C 13 40.4540 0.3000 . 1 . . . . A 58 ARG CD . 34039 1 774 . 1 1 59 59 ARG N N 15 115.4230 0.3000 . 1 . . . . A 58 ARG N . 34039 1 775 . 1 1 60 60 CYS H H 1 7.5360 0.0200 . 1 . . . . A 59 CYS H . 34039 1 776 . 1 1 60 60 CYS HA H 1 4.4350 0.0200 . 1 . . . . A 59 CYS HA . 34039 1 777 . 1 1 60 60 CYS HB2 H 1 3.3110 0.0200 . 1 . . . . A 59 CYS HB2 . 34039 1 778 . 1 1 60 60 CYS HB3 H 1 3.5970 0.0200 . 1 . . . . A 59 CYS HB3 . 34039 1 779 . 1 1 60 60 CYS C C 13 170.2370 0.3000 . 1 . . . . A 59 CYS C . 34039 1 780 . 1 1 60 60 CYS CA C 13 53.6540 0.3000 . 1 . . . . A 59 CYS CA . 34039 1 781 . 1 1 60 60 CYS CB C 13 43.2080 0.3000 . 1 . . . . A 59 CYS CB . 34039 1 782 . 1 1 60 60 CYS N N 15 111.8110 0.3000 . 1 . . . . A 59 CYS N . 34039 1 783 . 1 1 61 61 ASN H H 1 8.9370 0.0200 . 1 . . . . A 60 ASN H . 34039 1 784 . 1 1 61 61 ASN HA H 1 4.3290 0.0200 . 1 . . . . A 60 ASN HA . 34039 1 785 . 1 1 61 61 ASN HB2 H 1 2.2910 0.0200 . 1 . . . . A 60 ASN HB2 . 34039 1 786 . 1 1 61 61 ASN HB3 H 1 2.6840 0.0200 . 1 . . . . A 60 ASN HB3 . 34039 1 787 . 1 1 61 61 ASN HD21 H 1 7.5060 0.0200 . 1 . . . . A 60 ASN HD21 . 34039 1 788 . 1 1 61 61 ASN HD22 H 1 7.6980 0.0200 . 1 . . . . A 60 ASN HD22 . 34039 1 789 . 1 1 61 61 ASN CA C 13 51.5870 0.3000 . 1 . . . . A 60 ASN CA . 34039 1 790 . 1 1 61 61 ASN CB C 13 37.0550 0.3000 . 1 . . . . A 60 ASN CB . 34039 1 791 . 1 1 61 61 ASN N N 15 127.0910 0.3000 . 1 . . . . A 60 ASN N . 34039 1 792 . 1 1 61 61 ASN ND2 N 15 116.7110 0.3000 . 1 . . . . A 60 ASN ND2 . 34039 1 stop_ save_