data_4035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4035 _Entry.Title ; Solution Structure of the DNA-Binding Domain of a Human Papillomavirus E2 Protein: Evidence for Flexible DNA-Binding Regions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-06-16 _Entry.Accession_date 1997-06-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Heng Liang . . . 4035 2 Andrew Petros . M. . 4035 3 Robert Meadows . P. . 4035 4 Ho Yoon . S. . 4035 5 David Egan . A. . 4035 6 Karl Walter . . . 4035 7 Thomas Holzman . F. . 4035 8 Terry Robins . . . 4035 9 Stephen Fesik . W. . 4035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 4035 '15N chemical shifts' 84 4035 '1H chemical shifts' 599 4035 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 2 . . 1997-03-02 . version_update BMRB 'converted to NMR-STAR 2.1' 4035 1 . . 2005-04-21 . update BMRB 'authors added to entry citation' 4035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4035 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96194130 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Liang, H., Petros, A. M., Meadows, R. P., Yoon, H. S., Egan, D. A., Walter, K., Holzman, T. F., Robins, T., and Fesik, S. W., "Solution Structure of the DNA-Binding Domain of a Human Papillomavirus E2 Protein: Evidence for Flexible DNA-Binding Regions," Biochemistry 35, 2095-2103 (1996). ; _Citation.Title ; Solution Structure of the DNA-Binding Domain of a Human Papillomavirus E2 Protein: Evidence for Flexible DNA-Binding Regions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 7 _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 2095 _Citation.Page_last 2103 _Citation.Year 1996 _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 Heng Liang . . . 4035 1 2 Andrew Petros . M. . 4035 1 3 Robert Meadows . P. . 4035 1 4 Ho Yoon . S. . 4035 1 5 David Egan . A. . 4035 1 6 Karl Walter . . . 4035 1 7 Thomas Holzman . F. . 4035 1 8 Terry Robins . . . 4035 1 9 Stephen Fesik . W. . 4035 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human Papillomavirus (HPV)' 4035 1 NMR 4035 1 'Nuclear Magnetic Resonance' 4035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E2-HPV _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E2-HPV _Assembly.Entry_ID 4035 _Assembly.ID 1 _Assembly.Name 'Regulatory protein E2' _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_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4035 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 E2-HPV 1 $E2-HPV . . yes native . . . . . 4035 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1A7G . 'The Crystal Structure Of The E2 Dna-Binding Domain From Human Papillomavirus At 2.4 Angstroms' . . . . 4035 1 yes PDB 1DHM . 'Dna-Binding Domain Of E2 From Human Papillomavirus-31, Nmr, Minimized Average Structure' . . . . 4035 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID E2-HPV abbreviation 4035 1 'Regulatory protein E2' system 4035 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; E2 is a transcription factor for the Human papillomavirus,and is required for replication of DNA ; 4035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E2-HPV _Entity.Sf_category entity _Entity.Sf_framecode E2-HPV _Entity.Entry_ID 4035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Regulatory protein E2' _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 ; MATTPIIHLKGDANILKCLR YRLSKYKQLYEQVSSTWHWT CTDGKHKNAIVTLTYISTSQ RDDFLNTVKIPNTVSVSTGY MTI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 ; The E2 protein consists of three functional domains: an N-terminal transactivation domain, a hinge domain, and a C-terminal domain of approximately 82 amino acides that is responsible for both DNA-binding and dimerization ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A7G . "The Crystal Structure Of The E2 Dna-Binding Domain From Human Papillomavirus At 2.4 Angstroms" . . . . . 98.80 82 98.78 98.78 2.95e-51 . . . . 4035 1 2 no PDB 1DHM . "Dna-Binding Domain Of E2 From Human Papillomavirus-31, Nmr, Minimized Average Structure" . . . . . 100.00 83 100.00 100.00 3.56e-53 . . . . 4035 1 3 no EMBL CRH59757 . "E2 (early) protein%2C N terminal [Chlamydia trachomatis]" . . . . . 98.80 372 98.78 98.78 1.38e-48 . . . . 4035 1 4 no EMBL CRH70730 . "E2 (early) protein%2C N terminal [Chlamydia trachomatis]" . . . . . 98.80 372 98.78 100.00 3.66e-49 . . . . 4035 1 5 no GB AAA46953 . "regulatory protein [Human papillomavirus type 31]" . . . . . 98.80 372 100.00 100.00 2.55e-49 . . . . 4035 1 6 no GB AEI60921 . "early protein E2 [Human papillomavirus type 31]" . . . . . 98.80 372 100.00 100.00 2.55e-49 . . . . 4035 1 7 no GB AEI60929 . "early protein E2 [Human papillomavirus type 31]" . . . . . 98.80 372 100.00 100.00 2.55e-49 . . . . 4035 1 8 no GB AEI60937 . "early protein E2 [Human papillomavirus type 31]" . . . . . 98.80 372 100.00 100.00 2.55e-49 . . . . 4035 1 9 no GB AEI60945 . "early protein E2 [Human papillomavirus type 31]" . . . . . 98.80 372 98.78 98.78 5.05e-48 . . . . 4035 1 10 no REF WP_057257005 . "hypothetical protein [Chlamydia trachomatis]" . . . . . 98.80 372 98.78 98.78 1.38e-48 . . . . 4035 1 11 no SP P17383 . "RecName: Full=Regulatory protein E2" . . . . . 98.80 372 100.00 100.00 2.55e-49 . . . . 4035 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID E2-HPV abbreviation 4035 1 'Regulatory protein E2' common 4035 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 4035 1 2 2 ALA . 4035 1 3 3 THR . 4035 1 4 4 THR . 4035 1 5 5 PRO . 4035 1 6 6 ILE . 4035 1 7 7 ILE . 4035 1 8 8 HIS . 4035 1 9 9 LEU . 4035 1 10 10 LYS . 4035 1 11 11 GLY . 4035 1 12 12 ASP . 4035 1 13 13 ALA . 4035 1 14 14 ASN . 4035 1 15 15 ILE . 4035 1 16 16 LEU . 4035 1 17 17 LYS . 4035 1 18 18 CYS . 4035 1 19 19 LEU . 4035 1 20 20 ARG . 4035 1 21 21 TYR . 4035 1 22 22 ARG . 4035 1 23 23 LEU . 4035 1 24 24 SER . 4035 1 25 25 LYS . 4035 1 26 26 TYR . 4035 1 27 27 LYS . 4035 1 28 28 GLN . 4035 1 29 29 LEU . 4035 1 30 30 TYR . 4035 1 31 31 GLU . 4035 1 32 32 GLN . 4035 1 33 33 VAL . 4035 1 34 34 SER . 4035 1 35 35 SER . 4035 1 36 36 THR . 4035 1 37 37 TRP . 4035 1 38 38 HIS . 4035 1 39 39 TRP . 4035 1 40 40 THR . 4035 1 41 41 CYS . 4035 1 42 42 THR . 4035 1 43 43 ASP . 4035 1 44 44 GLY . 4035 1 45 45 LYS . 4035 1 46 46 HIS . 4035 1 47 47 LYS . 4035 1 48 48 ASN . 4035 1 49 49 ALA . 4035 1 50 50 ILE . 4035 1 51 51 VAL . 4035 1 52 52 THR . 4035 1 53 53 LEU . 4035 1 54 54 THR . 4035 1 55 55 TYR . 4035 1 56 56 ILE . 4035 1 57 57 SER . 4035 1 58 58 THR . 4035 1 59 59 SER . 4035 1 60 60 GLN . 4035 1 61 61 ARG . 4035 1 62 62 ASP . 4035 1 63 63 ASP . 4035 1 64 64 PHE . 4035 1 65 65 LEU . 4035 1 66 66 ASN . 4035 1 67 67 THR . 4035 1 68 68 VAL . 4035 1 69 69 LYS . 4035 1 70 70 ILE . 4035 1 71 71 PRO . 4035 1 72 72 ASN . 4035 1 73 73 THR . 4035 1 74 74 VAL . 4035 1 75 75 SER . 4035 1 76 76 VAL . 4035 1 77 77 SER . 4035 1 78 78 THR . 4035 1 79 79 GLY . 4035 1 80 80 TYR . 4035 1 81 81 MET . 4035 1 82 82 THR . 4035 1 83 83 ILE . 4035 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 4035 1 . ALA 2 2 4035 1 . THR 3 3 4035 1 . THR 4 4 4035 1 . PRO 5 5 4035 1 . ILE 6 6 4035 1 . ILE 7 7 4035 1 . HIS 8 8 4035 1 . LEU 9 9 4035 1 . LYS 10 10 4035 1 . GLY 11 11 4035 1 . ASP 12 12 4035 1 . ALA 13 13 4035 1 . ASN 14 14 4035 1 . ILE 15 15 4035 1 . LEU 16 16 4035 1 . LYS 17 17 4035 1 . CYS 18 18 4035 1 . LEU 19 19 4035 1 . ARG 20 20 4035 1 . TYR 21 21 4035 1 . ARG 22 22 4035 1 . LEU 23 23 4035 1 . SER 24 24 4035 1 . LYS 25 25 4035 1 . TYR 26 26 4035 1 . LYS 27 27 4035 1 . GLN 28 28 4035 1 . LEU 29 29 4035 1 . TYR 30 30 4035 1 . GLU 31 31 4035 1 . GLN 32 32 4035 1 . VAL 33 33 4035 1 . SER 34 34 4035 1 . SER 35 35 4035 1 . THR 36 36 4035 1 . TRP 37 37 4035 1 . HIS 38 38 4035 1 . TRP 39 39 4035 1 . THR 40 40 4035 1 . CYS 41 41 4035 1 . THR 42 42 4035 1 . ASP 43 43 4035 1 . GLY 44 44 4035 1 . LYS 45 45 4035 1 . HIS 46 46 4035 1 . LYS 47 47 4035 1 . ASN 48 48 4035 1 . ALA 49 49 4035 1 . ILE 50 50 4035 1 . VAL 51 51 4035 1 . THR 52 52 4035 1 . LEU 53 53 4035 1 . THR 54 54 4035 1 . TYR 55 55 4035 1 . ILE 56 56 4035 1 . SER 57 57 4035 1 . THR 58 58 4035 1 . SER 59 59 4035 1 . GLN 60 60 4035 1 . ARG 61 61 4035 1 . ASP 62 62 4035 1 . ASP 63 63 4035 1 . PHE 64 64 4035 1 . LEU 65 65 4035 1 . ASN 66 66 4035 1 . THR 67 67 4035 1 . VAL 68 68 4035 1 . LYS 69 69 4035 1 . ILE 70 70 4035 1 . PRO 71 71 4035 1 . ASN 72 72 4035 1 . THR 73 73 4035 1 . VAL 74 74 4035 1 . SER 75 75 4035 1 . VAL 76 76 4035 1 . SER 77 77 4035 1 . THR 78 78 4035 1 . GLY 79 79 4035 1 . TYR 80 80 4035 1 . MET 81 81 4035 1 . THR 82 82 4035 1 . ILE 83 83 4035 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 4035 _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 $E2-HPV . 10566 . . 'Papillomavirus human papillomavirus' 'human Papillomavirus' . 47.0.1.0.019 . . Papillomavirus 'human papillomavirus' . . . . . . . . . . . . . . . . . . . . . 4035 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 4035 _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 $E2-HPV . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . plasmid . . pET-3b . . . . . . 4035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4035 _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 'Regulatory protein E2' [U-15N;U-13C] . . 1 $E2-HPV . . 1.7 . . mM . . . . 4035 1 2 D2O . . . . . . . 10 . . % . . . . 4035 1 3 H2O . . . . . . . 90 . . % . . . . 4035 1 4 sodium_phosphate . . . . . . . 20 . . mM . . . . 4035 1 5 dithiothreitol . . . . . . . 5 . . mM . . . . 4035 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4035 _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 'Regulatory protein E2' [U-15N;U-13C] . . 1 $E2-HPV . . 1.7 . . mM . . . . 4035 2 2 D2O . . . . . . . 100 . . % . . . . 4035 2 3 sodium_phosphate . . . . . . . 20 . . mM . . . . 4035 2 4 dithiothreitol . . . . . . . 5 . . mM . . . . 4035 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4035 _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 . n/a 4035 1 temperature 303 . K 4035 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4035 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4035 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4035 _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_one Bruker AMX600 . 600 . . . 4035 1 2 NMR_spectrometer_two Bruker DMX500 . 500 . . . 4035 1 3 NMR_spectrometer_three Bruker AMX500 . 500 . . . 4035 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 4035 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4035 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 4035 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 4035 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 4035 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4035 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4035 1 . . 2 $sample_two . 4035 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 MET HA H 1 4.14 . . 1 . . . . . . . . 4035 1 2 . 1 1 1 1 MET HB2 H 1 2.61 . . 1 . . . . . . . . 4035 1 3 . 1 1 1 1 MET HB3 H 1 2.61 . . 1 . . . . . . . . 4035 1 4 . 1 1 1 1 MET HG2 H 1 2.12 . . 1 . . . . . . . . 4035 1 5 . 1 1 1 1 MET HG3 H 1 2.12 . . 1 . . . . . . . . 4035 1 6 . 1 1 1 1 MET CA C 13 53.56 . . 1 . . . . . . . . 4035 1 7 . 1 1 1 1 MET CB C 13 29.33 . . 1 . . . . . . . . 4035 1 8 . 1 1 1 1 MET CG C 13 31.81 . . 1 . . . . . . . . 4035 1 9 . 1 1 2 2 ALA HA H 1 4.26 . . 1 . . . . . . . . 4035 1 10 . 1 1 2 2 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4035 1 11 . 1 1 2 2 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4035 1 12 . 1 1 2 2 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4035 1 13 . 1 1 2 2 ALA CA C 13 49.98 . . 1 . . . . . . . . 4035 1 14 . 1 1 2 2 ALA CB C 13 17.77 . . 1 . . . . . . . . 4035 1 15 . 1 1 3 3 THR H H 1 8.47 . . 1 . . . . . . . . 4035 1 16 . 1 1 3 3 THR HA H 1 4.85 . . 1 . . . . . . . . 4035 1 17 . 1 1 3 3 THR HB H 1 4.05 . . 1 . . . . . . . . 4035 1 18 . 1 1 3 3 THR HG21 H 1 1.12 . . 1 . . . . . . . . 4035 1 19 . 1 1 3 3 THR HG22 H 1 1.12 . . 1 . . . . . . . . 4035 1 20 . 1 1 3 3 THR HG23 H 1 1.12 . . 1 . . . . . . . . 4035 1 21 . 1 1 3 3 THR CA C 13 60.30 . . 1 . . . . . . . . 4035 1 22 . 1 1 3 3 THR CB C 13 68.44 . . 1 . . . . . . . . 4035 1 23 . 1 1 3 3 THR CG2 C 13 19.97 . . 1 . . . . . . . . 4035 1 24 . 1 1 3 3 THR N N 15 115.69 . . 1 . . . . . . . . 4035 1 25 . 1 1 4 4 THR H H 1 9.04 . . 1 . . . . . . . . 4035 1 26 . 1 1 4 4 THR HA H 1 5.06 . . 1 . . . . . . . . 4035 1 27 . 1 1 4 4 THR HB H 1 4.30 . . 1 . . . . . . . . 4035 1 28 . 1 1 4 4 THR HG21 H 1 1.46 . . 1 . . . . . . . . 4035 1 29 . 1 1 4 4 THR HG22 H 1 1.46 . . 1 . . . . . . . . 4035 1 30 . 1 1 4 4 THR HG23 H 1 1.46 . . 1 . . . . . . . . 4035 1 31 . 1 1 4 4 THR CA C 13 58.25 . . 1 . . . . . . . . 4035 1 32 . 1 1 4 4 THR CB C 13 70.36 . . 1 . . . . . . . . 4035 1 33 . 1 1 4 4 THR CG2 C 13 19.14 . . 1 . . . . . . . . 4035 1 34 . 1 1 4 4 THR N N 15 123.61 . . 1 . . . . . . . . 4035 1 35 . 1 1 5 5 PRO HA H 1 4.61 . . 1 . . . . . . . . 4035 1 36 . 1 1 5 5 PRO HB2 H 1 2.06 . . 2 . . . . . . . . 4035 1 37 . 1 1 5 5 PRO HB3 H 1 1.66 . . 2 . . . . . . . . 4035 1 38 . 1 1 5 5 PRO HG2 H 1 2.02 . . 2 . . . . . . . . 4035 1 39 . 1 1 5 5 PRO HG3 H 1 1.83 . . 2 . . . . . . . . 4035 1 40 . 1 1 5 5 PRO HD2 H 1 4.19 . . 1 . . . . . . . . 4035 1 41 . 1 1 5 5 PRO HD3 H 1 4.19 . . 1 . . . . . . . . 4035 1 42 . 1 1 5 5 PRO CA C 13 61.00 . . 1 . . . . . . . . 4035 1 43 . 1 1 5 5 PRO CB C 13 29.88 . . 1 . . . . . . . . 4035 1 44 . 1 1 5 5 PRO CD C 13 49.44 . . 1 . . . . . . . . 4035 1 45 . 1 1 6 6 ILE H H 1 8.29 . . 1 . . . . . . . . 4035 1 46 . 1 1 6 6 ILE HA H 1 5.94 . . 1 . . . . . . . . 4035 1 47 . 1 1 6 6 ILE HB H 1 1.95 . . 1 . . . . . . . . 4035 1 48 . 1 1 6 6 ILE HG12 H 1 0.74 . . 2 . . . . . . . . 4035 1 49 . 1 1 6 6 ILE HG13 H 1 0.51 . . 2 . . . . . . . . 4035 1 50 . 1 1 6 6 ILE HG21 H 1 1.03 . . 1 . . . . . . . . 4035 1 51 . 1 1 6 6 ILE HG22 H 1 1.03 . . 1 . . . . . . . . 4035 1 52 . 1 1 6 6 ILE HG23 H 1 1.03 . . 1 . . . . . . . . 4035 1 53 . 1 1 6 6 ILE HD11 H 1 0.43 . . 1 . . . . . . . . 4035 1 54 . 1 1 6 6 ILE HD12 H 1 0.43 . . 1 . . . . . . . . 4035 1 55 . 1 1 6 6 ILE HD13 H 1 0.43 . . 1 . . . . . . . . 4035 1 56 . 1 1 6 6 ILE CA C 13 57.15 . . 1 . . . . . . . . 4035 1 57 . 1 1 6 6 ILE CB C 13 42.83 . . 1 . . . . . . . . 4035 1 58 . 1 1 6 6 ILE CG2 C 13 17.49 . . 1 . . . . . . . . 4035 1 59 . 1 1 6 6 ILE CD1 C 13 12.81 . . 1 . . . . . . . . 4035 1 60 . 1 1 6 6 ILE N N 15 114.03 . . 1 . . . . . . . . 4035 1 61 . 1 1 7 7 ILE H H 1 8.77 . . 1 . . . . . . . . 4035 1 62 . 1 1 7 7 ILE HA H 1 4.89 . . 1 . . . . . . . . 4035 1 63 . 1 1 7 7 ILE HB H 1 1.90 . . 1 . . . . . . . . 4035 1 64 . 1 1 7 7 ILE HG12 H 1 1.51 . . 2 . . . . . . . . 4035 1 65 . 1 1 7 7 ILE HG13 H 1 1.20 . . 2 . . . . . . . . 4035 1 66 . 1 1 7 7 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4035 1 67 . 1 1 7 7 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4035 1 68 . 1 1 7 7 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4035 1 69 . 1 1 7 7 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4035 1 70 . 1 1 7 7 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4035 1 71 . 1 1 7 7 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4035 1 72 . 1 1 7 7 ILE CA C 13 59.35 . . 1 . . . . . . . . 4035 1 73 . 1 1 7 7 ILE CB C 13 41.17 . . 1 . . . . . . . . 4035 1 74 . 1 1 7 7 ILE CG1 C 13 26.30 . . 1 . . . . . . . . 4035 1 75 . 1 1 7 7 ILE CG2 C 13 16.39 . . 1 . . . . . . . . 4035 1 76 . 1 1 7 7 ILE CD1 C 13 11.71 . . 1 . . . . . . . . 4035 1 77 . 1 1 7 7 ILE N N 15 118.76 . . 1 . . . . . . . . 4035 1 78 . 1 1 8 8 HIS H H 1 8.67 . . 1 . . . . . . . . 4035 1 79 . 1 1 8 8 HIS HA H 1 5.65 . . 1 . . . . . . . . 4035 1 80 . 1 1 8 8 HIS HB2 H 1 2.84 . . 2 . . . . . . . . 4035 1 81 . 1 1 8 8 HIS HB3 H 1 2.58 . . 2 . . . . . . . . 4035 1 82 . 1 1 8 8 HIS HD2 H 1 6.94 . . 1 . . . . . . . . 4035 1 83 . 1 1 8 8 HIS HE1 H 1 7.67 . . 1 . . . . . . . . 4035 1 84 . 1 1 8 8 HIS CA C 13 52.19 . . 1 . . . . . . . . 4035 1 85 . 1 1 8 8 HIS CB C 13 32.09 . . 1 . . . . . . . . 4035 1 86 . 1 1 8 8 HIS CD2 C 13 115.90 . . 1 . . . . . . . . 4035 1 87 . 1 1 8 8 HIS CE1 C 13 135.90 . . 1 . . . . . . . . 4035 1 88 . 1 1 8 8 HIS N N 15 120.08 . . 1 . . . . . . . . 4035 1 89 . 1 1 9 9 LEU H H 1 9.44 . . 1 . . . . . . . . 4035 1 90 . 1 1 9 9 LEU HA H 1 5.15 . . 1 . . . . . . . . 4035 1 91 . 1 1 9 9 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 4035 1 92 . 1 1 9 9 LEU HB3 H 1 0.98 . . 2 . . . . . . . . 4035 1 93 . 1 1 9 9 LEU HG H 1 1.63 . . 1 . . . . . . . . 4035 1 94 . 1 1 9 9 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4035 1 95 . 1 1 9 9 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4035 1 96 . 1 1 9 9 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4035 1 97 . 1 1 9 9 LEU HD21 H 1 0.73 . . 2 . . . . . . . . 4035 1 98 . 1 1 9 9 LEU HD22 H 1 0.73 . . 2 . . . . . . . . 4035 1 99 . 1 1 9 9 LEU HD23 H 1 0.73 . . 2 . . . . . . . . 4035 1 100 . 1 1 9 9 LEU CA C 13 50.81 . . 1 . . . . . . . . 4035 1 101 . 1 1 9 9 LEU CB C 13 41.45 . . 1 . . . . . . . . 4035 1 102 . 1 1 9 9 LEU CG C 13 24.38 . . 1 . . . . . . . . 4035 1 103 . 1 1 9 9 LEU CD1 C 13 23.55 . . 2 . . . . . . . . 4035 1 104 . 1 1 9 9 LEU CD2 C 13 24.65 . . 2 . . . . . . . . 4035 1 105 . 1 1 9 9 LEU N N 15 124.05 . . 1 . . . . . . . . 4035 1 106 . 1 1 10 10 LYS H H 1 8.57 . . 1 . . . . . . . . 4035 1 107 . 1 1 10 10 LYS HA H 1 5.54 . . 1 . . . . . . . . 4035 1 108 . 1 1 10 10 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 4035 1 109 . 1 1 10 10 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 4035 1 110 . 1 1 10 10 LYS HG2 H 1 1.23 . . 2 . . . . . . . . 4035 1 111 . 1 1 10 10 LYS HG3 H 1 1.17 . . 2 . . . . . . . . 4035 1 112 . 1 1 10 10 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4035 1 113 . 1 1 10 10 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 4035 1 114 . 1 1 10 10 LYS HE2 H 1 2.76 . . 2 . . . . . . . . 4035 1 115 . 1 1 10 10 LYS HE3 H 1 2.68 . . 2 . . . . . . . . 4035 1 116 . 1 1 10 10 LYS CA C 13 52.46 . . 1 . . . . . . . . 4035 1 117 . 1 1 10 10 LYS CB C 13 33.74 . . 1 . . . . . . . . 4035 1 118 . 1 1 10 10 LYS CG C 13 23.55 . . 1 . . . . . . . . 4035 1 119 . 1 1 10 10 LYS CD C 13 27.68 . . 1 . . . . . . . . 4035 1 120 . 1 1 10 10 LYS CE C 13 39.80 . . 1 . . . . . . . . 4035 1 121 . 1 1 10 10 LYS N N 15 119.64 . . 1 . . . . . . . . 4035 1 122 . 1 1 11 11 GLY H H 1 8.48 . . 1 . . . . . . . . 4035 1 123 . 1 1 11 11 GLY HA2 H 1 4.15 . . 2 . . . . . . . . 4035 1 124 . 1 1 11 11 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 4035 1 125 . 1 1 11 11 GLY CA C 13 43.10 . . 1 . . . . . . . . 4035 1 126 . 1 1 11 11 GLY N N 15 109.73 . . 1 . . . . . . . . 4035 1 127 . 1 1 12 12 ASP H H 1 8.65 . . 1 . . . . . . . . 4035 1 128 . 1 1 12 12 ASP HA H 1 4.54 . . 1 . . . . . . . . 4035 1 129 . 1 1 12 12 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4035 1 130 . 1 1 12 12 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 4035 1 131 . 1 1 12 12 ASP CA C 13 52.59 . . 1 . . . . . . . . 4035 1 132 . 1 1 12 12 ASP CB C 13 41.04 . . 1 . . . . . . . . 4035 1 133 . 1 1 12 12 ASP N N 15 121.52 . . 1 . . . . . . . . 4035 1 134 . 1 1 13 13 ALA H H 1 9.03 . . 1 . . . . . . . . 4035 1 135 . 1 1 13 13 ALA HA H 1 3.74 . . 1 . . . . . . . . 4035 1 136 . 1 1 13 13 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4035 1 137 . 1 1 13 13 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4035 1 138 . 1 1 13 13 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4035 1 139 . 1 1 13 13 ALA CA C 13 54.39 . . 1 . . . . . . . . 4035 1 140 . 1 1 13 13 ALA CB C 13 16.94 . . 1 . . . . . . . . 4035 1 141 . 1 1 13 13 ALA N N 15 127.02 . . 1 . . . . . . . . 4035 1 142 . 1 1 14 14 ASN H H 1 8.76 . . 1 . . . . . . . . 4035 1 143 . 1 1 14 14 ASN HA H 1 4.54 . . 1 . . . . . . . . 4035 1 144 . 1 1 14 14 ASN HB2 H 1 2.95 . . 2 . . . . . . . . 4035 1 145 . 1 1 14 14 ASN HB3 H 1 2.79 . . 2 . . . . . . . . 4035 1 146 . 1 1 14 14 ASN HD21 H 1 7.89 . . 2 . . . . . . . . 4035 1 147 . 1 1 14 14 ASN HD22 H 1 7.04 . . 2 . . . . . . . . 4035 1 148 . 1 1 14 14 ASN CA C 13 54.67 . . 1 . . . . . . . . 4035 1 149 . 1 1 14 14 ASN CB C 13 35.94 . . 1 . . . . . . . . 4035 1 150 . 1 1 14 14 ASN N N 15 116.34 . . 1 . . . . . . . . 4035 1 151 . 1 1 14 14 ASN ND2 N 15 114.46 . . 1 . . . . . . . . 4035 1 152 . 1 1 15 15 ILE H H 1 7.68 . . 1 . . . . . . . . 4035 1 153 . 1 1 15 15 ILE HA H 1 3.86 . . 1 . . . . . . . . 4035 1 154 . 1 1 15 15 ILE HB H 1 2.02 . . 1 . . . . . . . . 4035 1 155 . 1 1 15 15 ILE HG12 H 1 1.64 . . 2 . . . . . . . . 4035 1 156 . 1 1 15 15 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 4035 1 157 . 1 1 15 15 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4035 1 158 . 1 1 15 15 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4035 1 159 . 1 1 15 15 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4035 1 160 . 1 1 15 15 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4035 1 161 . 1 1 15 15 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4035 1 162 . 1 1 15 15 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4035 1 163 . 1 1 15 15 ILE CA C 13 62.10 . . 1 . . . . . . . . 4035 1 164 . 1 1 15 15 ILE CB C 13 35.39 . . 1 . . . . . . . . 4035 1 165 . 1 1 15 15 ILE CG1 C 13 26.86 . . 1 . . . . . . . . 4035 1 166 . 1 1 15 15 ILE CG2 C 13 15.29 . . 1 . . . . . . . . 4035 1 167 . 1 1 15 15 ILE CD1 C 13 10.06 . . 1 . . . . . . . . 4035 1 168 . 1 1 15 15 ILE N N 15 122.73 . . 1 . . . . . . . . 4035 1 169 . 1 1 16 16 LEU H H 1 8.21 . . 1 . . . . . . . . 4035 1 170 . 1 1 16 16 LEU HA H 1 3.83 . . 1 . . . . . . . . 4035 1 171 . 1 1 16 16 LEU HB2 H 1 1.70 . . 2 . . . . . . . . 4035 1 172 . 1 1 16 16 LEU HB3 H 1 1.20 . . 2 . . . . . . . . 4035 1 173 . 1 1 16 16 LEU HG H 1 1.49 . . 1 . . . . . . . . 4035 1 174 . 1 1 16 16 LEU HD11 H 1 0.58 . . 1 . . . . . . . . 4035 1 175 . 1 1 16 16 LEU HD12 H 1 0.58 . . 1 . . . . . . . . 4035 1 176 . 1 1 16 16 LEU HD13 H 1 0.58 . . 1 . . . . . . . . 4035 1 177 . 1 1 16 16 LEU HD21 H 1 0.54 . . 1 . . . . . . . . 4035 1 178 . 1 1 16 16 LEU HD22 H 1 0.54 . . 1 . . . . . . . . 4035 1 179 . 1 1 16 16 LEU HD23 H 1 0.54 . . 1 . . . . . . . . 4035 1 180 . 1 1 16 16 LEU CA C 13 56.04 . . 1 . . . . . . . . 4035 1 181 . 1 1 16 16 LEU CB C 13 39.25 . . 1 . . . . . . . . 4035 1 182 . 1 1 16 16 LEU CG C 13 24.65 . . 1 . . . . . . . . 4035 1 183 . 1 1 16 16 LEU CD1 C 13 24.10 . . 2 . . . . . . . . 4035 1 184 . 1 1 16 16 LEU CD2 C 13 21.35 . . 2 . . . . . . . . 4035 1 185 . 1 1 16 16 LEU N N 15 119.75 . . 1 . . . . . . . . 4035 1 186 . 1 1 17 17 LYS H H 1 7.95 . . 1 . . . . . . . . 4035 1 187 . 1 1 17 17 LYS HA H 1 3.89 . . 1 . . . . . . . . 4035 1 188 . 1 1 17 17 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 4035 1 189 . 1 1 17 17 LYS HB3 H 1 2.04 . . 2 . . . . . . . . 4035 1 190 . 1 1 17 17 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4035 1 191 . 1 1 17 17 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 4035 1 192 . 1 1 17 17 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 4035 1 193 . 1 1 17 17 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 4035 1 194 . 1 1 17 17 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 4035 1 195 . 1 1 17 17 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 4035 1 196 . 1 1 17 17 LYS CA C 13 58.25 . . 1 . . . . . . . . 4035 1 197 . 1 1 17 17 LYS CB C 13 30.43 . . 1 . . . . . . . . 4035 1 198 . 1 1 17 17 LYS CG C 13 23.27 . . 1 . . . . . . . . 4035 1 199 . 1 1 17 17 LYS CD C 13 27.68 . . 1 . . . . . . . . 4035 1 200 . 1 1 17 17 LYS CE C 13 40.07 . . 1 . . . . . . . . 4035 1 201 . 1 1 17 17 LYS N N 15 119.31 . . 1 . . . . . . . . 4035 1 202 . 1 1 18 18 CYS H H 1 7.39 . . 1 . . . . . . . . 4035 1 203 . 1 1 18 18 CYS HA H 1 4.30 . . 1 . . . . . . . . 4035 1 204 . 1 1 18 18 CYS HB2 H 1 3.13 . . 2 . . . . . . . . 4035 1 205 . 1 1 18 18 CYS HB3 H 1 3.08 . . 2 . . . . . . . . 4035 1 206 . 1 1 18 18 CYS CA C 13 60.45 . . 1 . . . . . . . . 4035 1 207 . 1 1 18 18 CYS CB C 13 24.65 . . 1 . . . . . . . . 4035 1 208 . 1 1 18 18 CYS N N 15 117.22 . . 1 . . . . . . . . 4035 1 209 . 1 1 19 19 LEU H H 1 8.25 . . 1 . . . . . . . . 4035 1 210 . 1 1 19 19 LEU HA H 1 4.18 . . 1 . . . . . . . . 4035 1 211 . 1 1 19 19 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 4035 1 212 . 1 1 19 19 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 4035 1 213 . 1 1 19 19 LEU HG H 1 1.66 . . 1 . . . . . . . . 4035 1 214 . 1 1 19 19 LEU HD11 H 1 0.97 . . 2 . . . . . . . . 4035 1 215 . 1 1 19 19 LEU HD12 H 1 0.97 . . 2 . . . . . . . . 4035 1 216 . 1 1 19 19 LEU HD13 H 1 0.97 . . 2 . . . . . . . . 4035 1 217 . 1 1 19 19 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 4035 1 218 . 1 1 19 19 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 4035 1 219 . 1 1 19 19 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 4035 1 220 . 1 1 19 19 LEU CA C 13 55.77 . . 1 . . . . . . . . 4035 1 221 . 1 1 19 19 LEU CB C 13 40.35 . . 1 . . . . . . . . 4035 1 222 . 1 1 19 19 LEU CG C 13 25.48 . . 1 . . . . . . . . 4035 1 223 . 1 1 19 19 LEU CD1 C 13 22.45 . . 2 . . . . . . . . 4035 1 224 . 1 1 19 19 LEU CD2 C 13 24.93 . . 2 . . . . . . . . 4035 1 225 . 1 1 19 19 LEU N N 15 121.52 . . 1 . . . . . . . . 4035 1 226 . 1 1 20 20 ARG H H 1 8.53 . . 1 . . . . . . . . 4035 1 227 . 1 1 20 20 ARG HA H 1 3.79 . . 1 . . . . . . . . 4035 1 228 . 1 1 20 20 ARG HB2 H 1 2.04 . . 2 . . . . . . . . 4035 1 229 . 1 1 20 20 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 4035 1 230 . 1 1 20 20 ARG HG2 H 1 1.67 . . 2 . . . . . . . . 4035 1 231 . 1 1 20 20 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4035 1 232 . 1 1 20 20 ARG HD2 H 1 3.26 . . 1 . . . . . . . . 4035 1 233 . 1 1 20 20 ARG HD3 H 1 3.26 . . 1 . . . . . . . . 4035 1 234 . 1 1 20 20 ARG CA C 13 58.52 . . 1 . . . . . . . . 4035 1 235 . 1 1 20 20 ARG CB C 13 27.68 . . 1 . . . . . . . . 4035 1 236 . 1 1 20 20 ARG CG C 13 26.30 . . 1 . . . . . . . . 4035 1 237 . 1 1 20 20 ARG CD C 13 42.27 . . 1 . . . . . . . . 4035 1 238 . 1 1 20 20 ARG N N 15 118.65 . . 1 . . . . . . . . 4035 1 239 . 1 1 21 21 TYR H H 1 7.54 . . 1 . . . . . . . . 4035 1 240 . 1 1 21 21 TYR HA H 1 4.49 . . 1 . . . . . . . . 4035 1 241 . 1 1 21 21 TYR HB2 H 1 3.29 . . 1 . . . . . . . . 4035 1 242 . 1 1 21 21 TYR HB3 H 1 3.29 . . 1 . . . . . . . . 4035 1 243 . 1 1 21 21 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 4035 1 244 . 1 1 21 21 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 4035 1 245 . 1 1 21 21 TYR HE1 H 1 6.91 . . 1 . . . . . . . . 4035 1 246 . 1 1 21 21 TYR HE2 H 1 6.91 . . 1 . . . . . . . . 4035 1 247 . 1 1 21 21 TYR CA C 13 59.07 . . 1 . . . . . . . . 4035 1 248 . 1 1 21 21 TYR CB C 13 35.67 . . 1 . . . . . . . . 4035 1 249 . 1 1 21 21 TYR CD1 C 13 131.22 . . 1 . . . . . . . . 4035 1 250 . 1 1 21 21 TYR CD2 C 13 131.22 . . 1 . . . . . . . . 4035 1 251 . 1 1 21 21 TYR CE1 C 13 116.35 . . 1 . . . . . . . . 4035 1 252 . 1 1 21 21 TYR CE2 C 13 116.35 . . 1 . . . . . . . . 4035 1 253 . 1 1 21 21 TYR N N 15 117.55 . . 1 . . . . . . . . 4035 1 254 . 1 1 22 22 ARG H H 1 7.82 . . 1 . . . . . . . . 4035 1 255 . 1 1 22 22 ARG HA H 1 4.21 . . 1 . . . . . . . . 4035 1 256 . 1 1 22 22 ARG HB2 H 1 2.16 . . 1 . . . . . . . . 4035 1 257 . 1 1 22 22 ARG HB3 H 1 2.16 . . 1 . . . . . . . . 4035 1 258 . 1 1 22 22 ARG HG2 H 1 2.04 . . 2 . . . . . . . . 4035 1 259 . 1 1 22 22 ARG HG3 H 1 1.84 . . 2 . . . . . . . . 4035 1 260 . 1 1 22 22 ARG HD2 H 1 3.34 . . 1 . . . . . . . . 4035 1 261 . 1 1 22 22 ARG HD3 H 1 3.34 . . 1 . . . . . . . . 4035 1 262 . 1 1 22 22 ARG CA C 13 56.87 . . 1 . . . . . . . . 4035 1 263 . 1 1 22 22 ARG CB C 13 28.51 . . 1 . . . . . . . . 4035 1 264 . 1 1 22 22 ARG CG C 13 25.75 . . 1 . . . . . . . . 4035 1 265 . 1 1 22 22 ARG CD C 13 42.00 . . 1 . . . . . . . . 4035 1 266 . 1 1 22 22 ARG N N 15 119.86 . . 1 . . . . . . . . 4035 1 267 . 1 1 23 23 LEU H H 1 8.31 . . 1 . . . . . . . . 4035 1 268 . 1 1 23 23 LEU HA H 1 4.34 . . 1 . . . . . . . . 4035 1 269 . 1 1 23 23 LEU HB2 H 1 2.09 . . 2 . . . . . . . . 4035 1 270 . 1 1 23 23 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 4035 1 271 . 1 1 23 23 LEU HG H 1 2.15 . . 1 . . . . . . . . 4035 1 272 . 1 1 23 23 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4035 1 273 . 1 1 23 23 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4035 1 274 . 1 1 23 23 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4035 1 275 . 1 1 23 23 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 4035 1 276 . 1 1 23 23 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 4035 1 277 . 1 1 23 23 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 4035 1 278 . 1 1 23 23 LEU CA C 13 55.49 . . 1 . . . . . . . . 4035 1 279 . 1 1 23 23 LEU CB C 13 38.97 . . 1 . . . . . . . . 4035 1 280 . 1 1 23 23 LEU CG C 13 24.10 . . 1 . . . . . . . . 4035 1 281 . 1 1 23 23 LEU CD1 C 13 21.35 . . 2 . . . . . . . . 4035 1 282 . 1 1 23 23 LEU CD2 C 13 23.82 . . 2 . . . . . . . . 4035 1 283 . 1 1 23 23 LEU N N 15 116.12 . . 1 . . . . . . . . 4035 1 284 . 1 1 24 24 SER H H 1 7.82 . . 1 . . . . . . . . 4035 1 285 . 1 1 24 24 SER HA H 1 4.42 . . 1 . . . . . . . . 4035 1 286 . 1 1 24 24 SER HB2 H 1 4.09 . . 1 . . . . . . . . 4035 1 287 . 1 1 24 24 SER HB3 H 1 4.09 . . 1 . . . . . . . . 4035 1 288 . 1 1 24 24 SER CA C 13 59.62 . . 1 . . . . . . . . 4035 1 289 . 1 1 24 24 SER CB C 13 60.72 . . 1 . . . . . . . . 4035 1 290 . 1 1 24 24 SER N N 15 116.12 . . 1 . . . . . . . . 4035 1 291 . 1 1 25 25 LYS H H 1 7.32 . . 1 . . . . . . . . 4035 1 292 . 1 1 25 25 LYS HA H 1 4.24 . . 1 . . . . . . . . 4035 1 293 . 1 1 25 25 LYS HB2 H 1 1.60 . . 2 . . . . . . . . 4035 1 294 . 1 1 25 25 LYS HB3 H 1 1.52 . . 2 . . . . . . . . 4035 1 295 . 1 1 25 25 LYS HG2 H 1 1.18 . . 1 . . . . . . . . 4035 1 296 . 1 1 25 25 LYS HG3 H 1 1.18 . . 1 . . . . . . . . 4035 1 297 . 1 1 25 25 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 4035 1 298 . 1 1 25 25 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 4035 1 299 . 1 1 25 25 LYS HE2 H 1 2.90 . . 1 . . . . . . . . 4035 1 300 . 1 1 25 25 LYS HE3 H 1 2.90 . . 1 . . . . . . . . 4035 1 301 . 1 1 25 25 LYS CA C 13 55.49 . . 1 . . . . . . . . 4035 1 302 . 1 1 25 25 LYS CB C 13 30.16 . . 1 . . . . . . . . 4035 1 303 . 1 1 25 25 LYS CG C 13 22.72 . . 1 . . . . . . . . 4035 1 304 . 1 1 25 25 LYS CD C 13 26.86 . . 1 . . . . . . . . 4035 1 305 . 1 1 25 25 LYS CE C 13 40.07 . . 1 . . . . . . . . 4035 1 306 . 1 1 25 25 LYS N N 15 119.53 . . 1 . . . . . . . . 4035 1 307 . 1 1 26 26 TYR H H 1 7.96 . . 1 . . . . . . . . 4035 1 308 . 1 1 26 26 TYR HA H 1 5.03 . . 1 . . . . . . . . 4035 1 309 . 1 1 26 26 TYR HB2 H 1 3.56 . . 2 . . . . . . . . 4035 1 310 . 1 1 26 26 TYR HB3 H 1 2.79 . . 2 . . . . . . . . 4035 1 311 . 1 1 26 26 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 4035 1 312 . 1 1 26 26 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 4035 1 313 . 1 1 26 26 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4035 1 314 . 1 1 26 26 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4035 1 315 . 1 1 26 26 TYR CA C 13 54.67 . . 1 . . . . . . . . 4035 1 316 . 1 1 26 26 TYR CB C 13 36.49 . . 1 . . . . . . . . 4035 1 317 . 1 1 26 26 TYR CD1 C 13 131.77 . . 1 . . . . . . . . 4035 1 318 . 1 1 26 26 TYR CD2 C 13 131.77 . . 1 . . . . . . . . 4035 1 319 . 1 1 26 26 TYR CE1 C 13 116.07 . . 1 . . . . . . . . 4035 1 320 . 1 1 26 26 TYR CE2 C 13 116.07 . . 1 . . . . . . . . 4035 1 321 . 1 1 26 26 TYR N N 15 118.98 . . 1 . . . . . . . . 4035 1 322 . 1 1 27 27 LYS H H 1 7.24 . . 1 . . . . . . . . 4035 1 323 . 1 1 27 27 LYS HA H 1 3.66 . . 1 . . . . . . . . 4035 1 324 . 1 1 27 27 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 4035 1 325 . 1 1 27 27 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 4035 1 326 . 1 1 27 27 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 4035 1 327 . 1 1 27 27 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4035 1 328 . 1 1 27 27 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 4035 1 329 . 1 1 27 27 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 4035 1 330 . 1 1 27 27 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4035 1 331 . 1 1 27 27 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4035 1 332 . 1 1 27 27 LYS CA C 13 56.59 . . 1 . . . . . . . . 4035 1 333 . 1 1 27 27 LYS CB C 13 30.16 . . 1 . . . . . . . . 4035 1 334 . 1 1 27 27 LYS CG C 13 22.17 . . 1 . . . . . . . . 4035 1 335 . 1 1 27 27 LYS CD C 13 26.58 . . 1 . . . . . . . . 4035 1 336 . 1 1 27 27 LYS CE C 13 39.80 . . 1 . . . . . . . . 4035 1 337 . 1 1 27 27 LYS N N 15 117.99 . . 1 . . . . . . . . 4035 1 338 . 1 1 28 28 GLN H H 1 8.82 . . 1 . . . . . . . . 4035 1 339 . 1 1 28 28 GLN HA H 1 4.38 . . 1 . . . . . . . . 4035 1 340 . 1 1 28 28 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 4035 1 341 . 1 1 28 28 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 4035 1 342 . 1 1 28 28 GLN HG2 H 1 2.58 . . 2 . . . . . . . . 4035 1 343 . 1 1 28 28 GLN HG3 H 1 2.40 . . 2 . . . . . . . . 4035 1 344 . 1 1 28 28 GLN HE21 H 1 7.64 . . 2 . . . . . . . . 4035 1 345 . 1 1 28 28 GLN HE22 H 1 6.98 . . 2 . . . . . . . . 4035 1 346 . 1 1 28 28 GLN CA C 13 55.22 . . 1 . . . . . . . . 4035 1 347 . 1 1 28 28 GLN CB C 13 25.75 . . 1 . . . . . . . . 4035 1 348 . 1 1 28 28 GLN CG C 13 32.09 . . 1 . . . . . . . . 4035 1 349 . 1 1 28 28 GLN N N 15 115.24 . . 1 . . . . . . . . 4035 1 350 . 1 1 28 28 GLN NE2 N 15 110.94 . . 1 . . . . . . . . 4035 1 351 . 1 1 29 29 LEU H H 1 8.56 . . 1 . . . . . . . . 4035 1 352 . 1 1 29 29 LEU HA H 1 4.67 . . 1 . . . . . . . . 4035 1 353 . 1 1 29 29 LEU HB2 H 1 2.36 . . 2 . . . . . . . . 4035 1 354 . 1 1 29 29 LEU HB3 H 1 2.24 . . 2 . . . . . . . . 4035 1 355 . 1 1 29 29 LEU HG H 1 1.74 . . 1 . . . . . . . . 4035 1 356 . 1 1 29 29 LEU HD11 H 1 1.03 . . 2 . . . . . . . . 4035 1 357 . 1 1 29 29 LEU HD12 H 1 1.03 . . 2 . . . . . . . . 4035 1 358 . 1 1 29 29 LEU HD13 H 1 1.03 . . 2 . . . . . . . . 4035 1 359 . 1 1 29 29 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 4035 1 360 . 1 1 29 29 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 4035 1 361 . 1 1 29 29 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 4035 1 362 . 1 1 29 29 LEU CA C 13 52.74 . . 1 . . . . . . . . 4035 1 363 . 1 1 29 29 LEU CB C 13 42.00 . . 1 . . . . . . . . 4035 1 364 . 1 1 29 29 LEU CD1 C 13 24.93 . . 2 . . . . . . . . 4035 1 365 . 1 1 29 29 LEU CD2 C 13 21.35 . . 2 . . . . . . . . 4035 1 366 . 1 1 29 29 LEU N N 15 118.98 . . 1 . . . . . . . . 4035 1 367 . 1 1 30 30 TYR H H 1 7.16 . . 1 . . . . . . . . 4035 1 368 . 1 1 30 30 TYR HA H 1 4.54 . . 1 . . . . . . . . 4035 1 369 . 1 1 30 30 TYR HB2 H 1 2.68 . . 2 . . . . . . . . 4035 1 370 . 1 1 30 30 TYR HB3 H 1 2.36 . . 2 . . . . . . . . 4035 1 371 . 1 1 30 30 TYR HD1 H 1 6.69 . . 1 . . . . . . . . 4035 1 372 . 1 1 30 30 TYR HD2 H 1 6.69 . . 1 . . . . . . . . 4035 1 373 . 1 1 30 30 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 4035 1 374 . 1 1 30 30 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 4035 1 375 . 1 1 30 30 TYR CA C 13 54.29 . . 1 . . . . . . . . 4035 1 376 . 1 1 30 30 TYR CB C 13 37.86 . . 1 . . . . . . . . 4035 1 377 . 1 1 30 30 TYR CD1 C 13 132.05 . . 1 . . . . . . . . 4035 1 378 . 1 1 30 30 TYR CD2 C 13 132.05 . . 1 . . . . . . . . 4035 1 379 . 1 1 30 30 TYR CE1 C 13 116.08 . . 1 . . . . . . . . 4035 1 380 . 1 1 30 30 TYR CE2 C 13 116.08 . . 1 . . . . . . . . 4035 1 381 . 1 1 30 30 TYR N N 15 111.50 . . 1 . . . . . . . . 4035 1 382 . 1 1 31 31 GLU H H 1 8.64 . . 1 . . . . . . . . 4035 1 383 . 1 1 31 31 GLU HA H 1 4.44 . . 1 . . . . . . . . 4035 1 384 . 1 1 31 31 GLU HB2 H 1 1.82 . . 2 . . . . . . . . 4035 1 385 . 1 1 31 31 GLU HB3 H 1 1.66 . . 2 . . . . . . . . 4035 1 386 . 1 1 31 31 GLU HG2 H 1 2.12 . . 1 . . . . . . . . 4035 1 387 . 1 1 31 31 GLU HG3 H 1 2.00 . . 2 . . . . . . . . 4035 1 388 . 1 1 31 31 GLU CA C 13 55.22 . . 1 . . . . . . . . 4035 1 389 . 1 1 31 31 GLU CB C 13 27.13 . . 1 . . . . . . . . 4035 1 390 . 1 1 31 31 GLU CG C 13 34.84 . . 1 . . . . . . . . 4035 1 391 . 1 1 31 31 GLU N N 15 118.65 . . 1 . . . . . . . . 4035 1 392 . 1 1 32 32 GLN H H 1 7.43 . . 1 . . . . . . . . 4035 1 393 . 1 1 32 32 GLN HA H 1 4.79 . . 1 . . . . . . . . 4035 1 394 . 1 1 32 32 GLN HB2 H 1 1.71 . . 2 . . . . . . . . 4035 1 395 . 1 1 32 32 GLN HB3 H 1 1.21 . . 2 . . . . . . . . 4035 1 396 . 1 1 32 32 GLN HG2 H 1 1.90 . . 2 . . . . . . . . 4035 1 397 . 1 1 32 32 GLN HG3 H 1 1.65 . . 2 . . . . . . . . 4035 1 398 . 1 1 32 32 GLN HE21 H 1 6.37 . . 2 . . . . . . . . 4035 1 399 . 1 1 32 32 GLN HE22 H 1 5.88 . . 2 . . . . . . . . 4035 1 400 . 1 1 32 32 GLN CA C 13 52.19 . . 1 . . . . . . . . 4035 1 401 . 1 1 32 32 GLN CB C 13 31.39 . . 1 . . . . . . . . 4035 1 402 . 1 1 32 32 GLN CG C 13 32.09 . . 1 . . . . . . . . 4035 1 403 . 1 1 32 32 GLN N N 15 115.79 . . 1 . . . . . . . . 4035 1 404 . 1 1 32 32 GLN NE2 N 15 108.52 . . 1 . . . . . . . . 4035 1 405 . 1 1 33 33 VAL H H 1 8.98 . . 1 . . . . . . . . 4035 1 406 . 1 1 33 33 VAL HA H 1 5.53 . . 1 . . . . . . . . 4035 1 407 . 1 1 33 33 VAL HB H 1 1.77 . . 1 . . . . . . . . 4035 1 408 . 1 1 33 33 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 4035 1 409 . 1 1 33 33 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 4035 1 410 . 1 1 33 33 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 4035 1 411 . 1 1 33 33 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4035 1 412 . 1 1 33 33 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4035 1 413 . 1 1 33 33 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4035 1 414 . 1 1 33 33 VAL CA C 13 57.42 . . 1 . . . . . . . . 4035 1 415 . 1 1 33 33 VAL CB C 13 32.91 . . 1 . . . . . . . . 4035 1 416 . 1 1 33 33 VAL CG1 C 13 17.49 . . 2 . . . . . . . . 4035 1 417 . 1 1 33 33 VAL CG2 C 13 20.25 . . 2 . . . . . . . . 4035 1 418 . 1 1 33 33 VAL N N 15 117.00 . . 1 . . . . . . . . 4035 1 419 . 1 1 34 34 SER H H 1 9.72 . . 1 . . . . . . . . 4035 1 420 . 1 1 34 34 SER HA H 1 5.23 . . 1 . . . . . . . . 4035 1 421 . 1 1 34 34 SER HB2 H 1 4.19 . . 2 . . . . . . . . 4035 1 422 . 1 1 34 34 SER HB3 H 1 3.68 . . 2 . . . . . . . . 4035 1 423 . 1 1 34 34 SER CA C 13 57.42 . . 1 . . . . . . . . 4035 1 424 . 1 1 34 34 SER CB C 13 65.41 . . 1 . . . . . . . . 4035 1 425 . 1 1 34 34 SER N N 15 127.35 . . 1 . . . . . . . . 4035 1 426 . 1 1 35 35 SER H H 1 8.73 . . 1 . . . . . . . . 4035 1 427 . 1 1 35 35 SER HA H 1 4.35 . . 1 . . . . . . . . 4035 1 428 . 1 1 35 35 SER HB2 H 1 4.27 . . 2 . . . . . . . . 4035 1 429 . 1 1 35 35 SER HB3 H 1 3.02 . . 2 . . . . . . . . 4035 1 430 . 1 1 35 35 SER CA C 13 56.77 . . 1 . . . . . . . . 4035 1 431 . 1 1 35 35 SER CB C 13 61.51 . . 1 . . . . . . . . 4035 1 432 . 1 1 35 35 SER N N 15 113.26 . . 1 . . . . . . . . 4035 1 433 . 1 1 36 36 THR H H 1 8.98 . . 1 . . . . . . . . 4035 1 434 . 1 1 36 36 THR HA H 1 4.70 . . 1 . . . . . . . . 4035 1 435 . 1 1 36 36 THR HB H 1 4.07 . . 1 . . . . . . . . 4035 1 436 . 1 1 36 36 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4035 1 437 . 1 1 36 36 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4035 1 438 . 1 1 36 36 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4035 1 439 . 1 1 36 36 THR CA C 13 61.28 . . 1 . . . . . . . . 4035 1 440 . 1 1 36 36 THR CB C 13 66.78 . . 1 . . . . . . . . 4035 1 441 . 1 1 36 36 THR CG2 C 13 21.90 . . 1 . . . . . . . . 4035 1 442 . 1 1 36 36 THR N N 15 118.65 . . 1 . . . . . . . . 4035 1 443 . 1 1 37 37 TRP H H 1 9.68 . . 1 . . . . . . . . 4035 1 444 . 1 1 37 37 TRP HA H 1 4.78 . . 1 . . . . . . . . 4035 1 445 . 1 1 37 37 TRP HB2 H 1 2.88 . . 2 . . . . . . . . 4035 1 446 . 1 1 37 37 TRP HB3 H 1 2.60 . . 2 . . . . . . . . 4035 1 447 . 1 1 37 37 TRP HD1 H 1 6.99 . . 1 . . . . . . . . 4035 1 448 . 1 1 37 37 TRP HE1 H 1 8.55 . . 1 . . . . . . . . 4035 1 449 . 1 1 37 37 TRP HE3 H 1 6.38 . . 1 . . . . . . . . 4035 1 450 . 1 1 37 37 TRP HZ2 H 1 6.28 . . 3 . . . . . . . . 4035 1 451 . 1 1 37 37 TRP HZ3 H 1 3.91 . . 3 . . . . . . . . 4035 1 452 . 1 1 37 37 TRP HH2 H 1 6.07 . . 1 . . . . . . . . 4035 1 453 . 1 1 37 37 TRP CA C 13 53.29 . . 1 . . . . . . . . 4035 1 454 . 1 1 37 37 TRP CB C 13 29.61 . . 1 . . . . . . . . 4035 1 455 . 1 1 37 37 TRP CD1 C 13 126.82 . . 1 . . . . . . . . 4035 1 456 . 1 1 37 37 TRP CE3 C 13 117.45 . . 1 . . . . . . . . 4035 1 457 . 1 1 37 37 TRP CZ2 C 13 111.40 . . 3 . . . . . . . . 4035 1 458 . 1 1 37 37 TRP CZ3 C 13 117.50 . . 3 . . . . . . . . 4035 1 459 . 1 1 37 37 TRP CH2 C 13 120.21 . . 1 . . . . . . . . 4035 1 460 . 1 1 37 37 TRP N N 15 130.00 . . 1 . . . . . . . . 4035 1 461 . 1 1 37 37 TRP NE1 N 15 126.47 . . 1 . . . . . . . . 4035 1 462 . 1 1 38 38 HIS H H 1 8.02 . . 1 . . . . . . . . 4035 1 463 . 1 1 38 38 HIS HA H 1 4.21 . . 1 . . . . . . . . 4035 1 464 . 1 1 38 38 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 4035 1 465 . 1 1 38 38 HIS HB3 H 1 3.05 . . 2 . . . . . . . . 4035 1 466 . 1 1 38 38 HIS HD2 H 1 7.29 . . 1 . . . . . . . . 4035 1 467 . 1 1 38 38 HIS CA C 13 52.74 . . 1 . . . . . . . . 4035 1 468 . 1 1 38 38 HIS CB C 13 29.88 . . 1 . . . . . . . . 4035 1 469 . 1 1 38 38 HIS CD2 C 13 118.56 . . 1 . . . . . . . . 4035 1 470 . 1 1 38 38 HIS N N 15 110.62 . . 1 . . . . . . . . 4035 1 471 . 1 1 39 39 TRP H H 1 8.50 . . 1 . . . . . . . . 4035 1 472 . 1 1 39 39 TRP HA H 1 5.22 . . 1 . . . . . . . . 4035 1 473 . 1 1 39 39 TRP HB2 H 1 3.40 . . 2 . . . . . . . . 4035 1 474 . 1 1 39 39 TRP HB3 H 1 3.01 . . 2 . . . . . . . . 4035 1 475 . 1 1 39 39 TRP HD1 H 1 7.09 . . 1 . . . . . . . . 4035 1 476 . 1 1 39 39 TRP HE1 H 1 9.88 . . 1 . . . . . . . . 4035 1 477 . 1 1 39 39 TRP HE3 H 1 6.89 . . 1 . . . . . . . . 4035 1 478 . 1 1 39 39 TRP HZ2 H 1 7.37 . . 3 . . . . . . . . 4035 1 479 . 1 1 39 39 TRP HZ3 H 1 6.83 . . 3 . . . . . . . . 4035 1 480 . 1 1 39 39 TRP HH2 H 1 6.77 . . 1 . . . . . . . . 4035 1 481 . 1 1 39 39 TRP CA C 13 54.29 . . 1 . . . . . . . . 4035 1 482 . 1 1 39 39 TRP CB C 13 28.22 . . 1 . . . . . . . . 4035 1 483 . 1 1 39 39 TRP CD1 C 13 125.99 . . 1 . . . . . . . . 4035 1 484 . 1 1 39 39 TRP CE3 C 13 119.38 . . 1 . . . . . . . . 4035 1 485 . 1 1 39 39 TRP CZ2 C 13 112.22 . . 1 . . . . . . . . 4035 1 486 . 1 1 39 39 TRP CZ3 C 13 121.04 . . 1 . . . . . . . . 4035 1 487 . 1 1 39 39 TRP CH2 C 13 122.41 . . 1 . . . . . . . . 4035 1 488 . 1 1 39 39 TRP N N 15 120.31 . . 1 . . . . . . . . 4035 1 489 . 1 1 39 39 TRP NE1 N 15 128.01 . . 1 . . . . . . . . 4035 1 490 . 1 1 40 40 THR H H 1 9.07 . . 1 . . . . . . . . 4035 1 491 . 1 1 40 40 THR HA H 1 4.61 . . 1 . . . . . . . . 4035 1 492 . 1 1 40 40 THR HB H 1 4.47 . . 1 . . . . . . . . 4035 1 493 . 1 1 40 40 THR HG21 H 1 1.33 . . 1 . . . . . . . . 4035 1 494 . 1 1 40 40 THR HG22 H 1 1.33 . . 1 . . . . . . . . 4035 1 495 . 1 1 40 40 THR HG23 H 1 1.33 . . 1 . . . . . . . . 4035 1 496 . 1 1 40 40 THR CA C 13 62.10 . . 1 . . . . . . . . 4035 1 497 . 1 1 40 40 THR CB C 13 67.88 . . 1 . . . . . . . . 4035 1 498 . 1 1 40 40 THR CG2 C 13 19.42 . . 1 . . . . . . . . 4035 1 499 . 1 1 40 40 THR N N 15 117.33 . . 1 . . . . . . . . 4035 1 500 . 1 1 41 41 CYS CA C 13 60.53 . . 1 . . . . . . . . 4035 1 501 . 1 1 42 42 THR H H 1 8.39 . . 1 . . . . . . . . 4035 1 502 . 1 1 42 42 THR HA H 1 4.43 . . 1 . . . . . . . . 4035 1 503 . 1 1 42 42 THR HB H 1 4.37 . . 1 . . . . . . . . 4035 1 504 . 1 1 42 42 THR HG21 H 1 1.30 . . 1 . . . . . . . . 4035 1 505 . 1 1 42 42 THR HG22 H 1 1.30 . . 1 . . . . . . . . 4035 1 506 . 1 1 42 42 THR HG23 H 1 1.30 . . 1 . . . . . . . . 4035 1 507 . 1 1 42 42 THR CA C 13 60.73 . . 1 . . . . . . . . 4035 1 508 . 1 1 42 42 THR CB C 13 67.88 . . 1 . . . . . . . . 4035 1 509 . 1 1 42 42 THR CG2 C 13 19.70 . . 1 . . . . . . . . 4035 1 510 . 1 1 42 42 THR N N 15 130.44 . . 1 . . . . . . . . 4035 1 511 . 1 1 43 43 ASP H H 1 8.29 . . 1 . . . . . . . . 4035 1 512 . 1 1 43 43 ASP HA H 1 4.65 . . 1 . . . . . . . . 4035 1 513 . 1 1 43 43 ASP HB2 H 1 2.84 . . 2 . . . . . . . . 4035 1 514 . 1 1 43 43 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 4035 1 515 . 1 1 43 43 ASP CA C 13 52.19 . . 1 . . . . . . . . 4035 1 516 . 1 1 43 43 ASP CB C 13 39.25 . . 1 . . . . . . . . 4035 1 517 . 1 1 43 43 ASP N N 15 120.42 . . 1 . . . . . . . . 4035 1 518 . 1 1 44 44 GLY H H 1 8.19 . . 1 . . . . . . . . 4035 1 519 . 1 1 44 44 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 4035 1 520 . 1 1 44 44 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 4035 1 521 . 1 1 44 44 GLY CA C 13 43.65 . . 1 . . . . . . . . 4035 1 522 . 1 1 44 44 GLY N N 15 108.52 . . 1 . . . . . . . . 4035 1 523 . 1 1 45 45 LYS H H 1 8.05 . . 1 . . . . . . . . 4035 1 524 . 1 1 45 45 LYS HA H 1 4.26 . . 1 . . . . . . . . 4035 1 525 . 1 1 45 45 LYS HB2 H 1 1.69 . . 1 . . . . . . . . 4035 1 526 . 1 1 45 45 LYS HB3 H 1 1.69 . . 1 . . . . . . . . 4035 1 527 . 1 1 45 45 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 4035 1 528 . 1 1 45 45 LYS HG3 H 1 1.25 . . 2 . . . . . . . . 4035 1 529 . 1 1 45 45 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4035 1 530 . 1 1 45 45 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4035 1 531 . 1 1 45 45 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4035 1 532 . 1 1 45 45 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4035 1 533 . 1 1 45 45 LYS CA C 13 54.67 . . 1 . . . . . . . . 4035 1 534 . 1 1 45 45 LYS CB C 13 30.71 . . 1 . . . . . . . . 4035 1 535 . 1 1 45 45 LYS CG C 13 23.00 . . 1 . . . . . . . . 4035 1 536 . 1 1 45 45 LYS CD C 13 26.86 . . 1 . . . . . . . . 4035 1 537 . 1 1 45 45 LYS CE C 13 40.07 . . 1 . . . . . . . . 4035 1 538 . 1 1 45 45 LYS N N 15 120.08 . . 1 . . . . . . . . 4035 1 539 . 1 1 46 46 HIS H H 1 8.17 . . 1 . . . . . . . . 4035 1 540 . 1 1 46 46 HIS HA H 1 4.67 . . 1 . . . . . . . . 4035 1 541 . 1 1 46 46 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 4035 1 542 . 1 1 46 46 HIS HB3 H 1 3.10 . . 2 . . . . . . . . 4035 1 543 . 1 1 46 46 HIS HD2 H 1 6.97 . . 1 . . . . . . . . 4035 1 544 . 1 1 46 46 HIS CA C 13 54.39 . . 1 . . . . . . . . 4035 1 545 . 1 1 46 46 HIS CB C 13 28.23 . . 1 . . . . . . . . 4035 1 546 . 1 1 46 46 HIS CD2 C 13 118.30 . . 1 . . . . . . . . 4035 1 547 . 1 1 46 46 HIS N N 15 118.87 . . 1 . . . . . . . . 4035 1 548 . 1 1 47 47 LYS HA H 1 4.23 . . 1 . . . . . . . . 4035 1 549 . 1 1 47 47 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4035 1 550 . 1 1 47 47 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 4035 1 551 . 1 1 47 47 LYS HG2 H 1 1.39 . . 2 . . . . . . . . 4035 1 552 . 1 1 47 47 LYS HG3 H 1 1.34 . . 2 . . . . . . . . 4035 1 553 . 1 1 47 47 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 4035 1 554 . 1 1 47 47 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 4035 1 555 . 1 1 47 47 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4035 1 556 . 1 1 47 47 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4035 1 557 . 1 1 47 47 LYS CA C 13 54.94 . . 1 . . . . . . . . 4035 1 558 . 1 1 47 47 LYS CB C 13 30.98 . . 1 . . . . . . . . 4035 1 559 . 1 1 47 47 LYS CG C 13 23.00 . . 1 . . . . . . . . 4035 1 560 . 1 1 47 47 LYS CD C 13 27.41 . . 1 . . . . . . . . 4035 1 561 . 1 1 47 47 LYS CE C 13 40.07 . . 1 . . . . . . . . 4035 1 562 . 1 1 48 48 ASN H H 1 8.00 . . 1 . . . . . . . . 4035 1 563 . 1 1 48 48 ASN HA H 1 4.71 . . 1 . . . . . . . . 4035 1 564 . 1 1 48 48 ASN HB2 H 1 2.73 . . 1 . . . . . . . . 4035 1 565 . 1 1 48 48 ASN HB3 H 1 2.73 . . 1 . . . . . . . . 4035 1 566 . 1 1 48 48 ASN HD21 H 1 7.46 . . 2 . . . . . . . . 4035 1 567 . 1 1 48 48 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4035 1 568 . 1 1 48 48 ASN CA C 13 51.09 . . 1 . . . . . . . . 4035 1 569 . 1 1 48 48 ASN CB C 13 37.87 . . 1 . . . . . . . . 4035 1 570 . 1 1 48 48 ASN N N 15 117.00 . . 1 . . . . . . . . 4035 1 571 . 1 1 48 48 ASN ND2 N 15 112.48 . . 1 . . . . . . . . 4035 1 572 . 1 1 49 49 ALA H H 1 8.23 . . 1 . . . . . . . . 4035 1 573 . 1 1 49 49 ALA HA H 1 4.53 . . 1 . . . . . . . . 4035 1 574 . 1 1 49 49 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4035 1 575 . 1 1 49 49 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4035 1 576 . 1 1 49 49 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4035 1 577 . 1 1 49 49 ALA CA C 13 49.16 . . 1 . . . . . . . . 4035 1 578 . 1 1 49 49 ALA CB C 13 18.87 . . 1 . . . . . . . . 4035 1 579 . 1 1 49 49 ALA N N 15 124.27 . . 1 . . . . . . . . 4035 1 580 . 1 1 50 50 ILE H H 1 8.46 . . 1 . . . . . . . . 4035 1 581 . 1 1 50 50 ILE HA H 1 4.73 . . 1 . . . . . . . . 4035 1 582 . 1 1 50 50 ILE HB H 1 -1.12 . . 1 . . . . . . . . 4035 1 583 . 1 1 50 50 ILE HG12 H 1 0.69 . . 2 . . . . . . . . 4035 1 584 . 1 1 50 50 ILE HG13 H 1 0.02 . . 2 . . . . . . . . 4035 1 585 . 1 1 50 50 ILE HG21 H 1 -0.06 . . 1 . . . . . . . . 4035 1 586 . 1 1 50 50 ILE HG22 H 1 -0.06 . . 1 . . . . . . . . 4035 1 587 . 1 1 50 50 ILE HG23 H 1 -0.06 . . 1 . . . . . . . . 4035 1 588 . 1 1 50 50 ILE HD11 H 1 -0.62 . . 1 . . . . . . . . 4035 1 589 . 1 1 50 50 ILE HD12 H 1 -0.62 . . 1 . . . . . . . . 4035 1 590 . 1 1 50 50 ILE HD13 H 1 -0.62 . . 1 . . . . . . . . 4035 1 591 . 1 1 50 50 ILE CA C 13 58.52 . . 1 . . . . . . . . 4035 1 592 . 1 1 50 50 ILE CB C 13 38.97 . . 1 . . . . . . . . 4035 1 593 . 1 1 50 50 ILE CG1 C 13 25.20 . . 1 . . . . . . . . 4035 1 594 . 1 1 50 50 ILE CG2 C 13 15.84 . . 1 . . . . . . . . 4035 1 595 . 1 1 50 50 ILE CD1 C 13 10.88 . . 1 . . . . . . . . 4035 1 596 . 1 1 50 50 ILE N N 15 119.09 . . 1 . . . . . . . . 4035 1 597 . 1 1 51 51 VAL H H 1 8.46 . . 1 . . . . . . . . 4035 1 598 . 1 1 51 51 VAL HA H 1 3.93 . . 1 . . . . . . . . 4035 1 599 . 1 1 51 51 VAL HB H 1 1.65 . . 1 . . . . . . . . 4035 1 600 . 1 1 51 51 VAL HG11 H 1 0.87 . . 2 . . . . . . . . 4035 1 601 . 1 1 51 51 VAL HG12 H 1 0.87 . . 2 . . . . . . . . 4035 1 602 . 1 1 51 51 VAL HG13 H 1 0.87 . . 2 . . . . . . . . 4035 1 603 . 1 1 51 51 VAL HG21 H 1 0.83 . . 2 . . . . . . . . 4035 1 604 . 1 1 51 51 VAL HG22 H 1 0.83 . . 2 . . . . . . . . 4035 1 605 . 1 1 51 51 VAL HG23 H 1 0.83 . . 2 . . . . . . . . 4035 1 606 . 1 1 51 51 VAL CA C 13 60.17 . . 1 . . . . . . . . 4035 1 607 . 1 1 51 51 VAL CB C 13 34.45 . . 1 . . . . . . . . 4035 1 608 . 1 1 51 51 VAL CG1 C 13 20.25 . . 2 . . . . . . . . 4035 1 609 . 1 1 51 51 VAL CG2 C 13 23.27 . . 2 . . . . . . . . 4035 1 610 . 1 1 51 51 VAL N N 15 122.07 . . 1 . . . . . . . . 4035 1 611 . 1 1 52 52 THR H H 1 9.20 . . 1 . . . . . . . . 4035 1 612 . 1 1 52 52 THR HA H 1 5.50 . . 1 . . . . . . . . 4035 1 613 . 1 1 52 52 THR HB H 1 3.63 . . 1 . . . . . . . . 4035 1 614 . 1 1 52 52 THR HG21 H 1 1.39 . . 1 . . . . . . . . 4035 1 615 . 1 1 52 52 THR HG22 H 1 1.39 . . 1 . . . . . . . . 4035 1 616 . 1 1 52 52 THR HG23 H 1 1.39 . . 1 . . . . . . . . 4035 1 617 . 1 1 52 52 THR CA C 13 59.90 . . 1 . . . . . . . . 4035 1 618 . 1 1 52 52 THR CB C 13 68.99 . . 1 . . . . . . . . 4035 1 619 . 1 1 52 52 THR CG2 C 13 21.07 . . 1 . . . . . . . . 4035 1 620 . 1 1 52 52 THR N N 15 125.15 . . 1 . . . . . . . . 4035 1 621 . 1 1 53 53 LEU H H 1 9.17 . . 1 . . . . . . . . 4035 1 622 . 1 1 53 53 LEU HA H 1 5.50 . . 1 . . . . . . . . 4035 1 623 . 1 1 53 53 LEU HB2 H 1 1.40 . . 2 . . . . . . . . 4035 1 624 . 1 1 53 53 LEU HB3 H 1 1.12 . . 2 . . . . . . . . 4035 1 625 . 1 1 53 53 LEU HG H 1 1.42 . . 1 . . . . . . . . 4035 1 626 . 1 1 53 53 LEU HD11 H 1 0.64 . . 2 . . . . . . . . 4035 1 627 . 1 1 53 53 LEU HD12 H 1 0.64 . . 2 . . . . . . . . 4035 1 628 . 1 1 53 53 LEU HD13 H 1 0.64 . . 2 . . . . . . . . 4035 1 629 . 1 1 53 53 LEU HD21 H 1 0.15 . . 2 . . . . . . . . 4035 1 630 . 1 1 53 53 LEU HD22 H 1 0.15 . . 2 . . . . . . . . 4035 1 631 . 1 1 53 53 LEU HD23 H 1 0.15 . . 2 . . . . . . . . 4035 1 632 . 1 1 53 53 LEU CA C 13 53.29 . . 1 . . . . . . . . 4035 1 633 . 1 1 53 53 LEU CB C 13 43.65 . . 1 . . . . . . . . 4035 1 634 . 1 1 53 53 LEU CG C 13 27.68 . . 1 . . . . . . . . 4035 1 635 . 1 1 53 53 LEU CD1 C 13 24.65 . . 2 . . . . . . . . 4035 1 636 . 1 1 53 53 LEU CD2 C 13 25.20 . . 2 . . . . . . . . 4035 1 637 . 1 1 53 53 LEU N N 15 126.91 . . 1 . . . . . . . . 4035 1 638 . 1 1 54 54 THR H H 1 8.44 . . 1 . . . . . . . . 4035 1 639 . 1 1 54 54 THR HA H 1 5.11 . . 1 . . . . . . . . 4035 1 640 . 1 1 54 54 THR HB H 1 4.11 . . 1 . . . . . . . . 4035 1 641 . 1 1 54 54 THR HG21 H 1 0.90 . . 1 . . . . . . . . 4035 1 642 . 1 1 54 54 THR HG22 H 1 0.90 . . 1 . . . . . . . . 4035 1 643 . 1 1 54 54 THR HG23 H 1 0.90 . . 1 . . . . . . . . 4035 1 644 . 1 1 54 54 THR CA C 13 56.87 . . 1 . . . . . . . . 4035 1 645 . 1 1 54 54 THR CB C 13 68.99 . . 1 . . . . . . . . 4035 1 646 . 1 1 54 54 THR CG2 C 13 21.35 . . 1 . . . . . . . . 4035 1 647 . 1 1 54 54 THR N N 15 108.41 . . 1 . . . . . . . . 4035 1 648 . 1 1 55 55 TYR H H 1 7.33 . . 1 . . . . . . . . 4035 1 649 . 1 1 55 55 TYR HA H 1 4.82 . . 1 . . . . . . . . 4035 1 650 . 1 1 55 55 TYR HB2 H 1 3.67 . . 2 . . . . . . . . 4035 1 651 . 1 1 55 55 TYR HB3 H 1 2.27 . . 2 . . . . . . . . 4035 1 652 . 1 1 55 55 TYR HD1 H 1 6.78 . . 1 . . . . . . . . 4035 1 653 . 1 1 55 55 TYR HD2 H 1 6.78 . . 1 . . . . . . . . 4035 1 654 . 1 1 55 55 TYR HE1 H 1 6.33 . . 1 . . . . . . . . 4035 1 655 . 1 1 55 55 TYR HE2 H 1 6.33 . . 1 . . . . . . . . 4035 1 656 . 1 1 55 55 TYR CA C 13 55.49 . . 1 . . . . . . . . 4035 1 657 . 1 1 55 55 TYR CB C 13 41.17 . . 1 . . . . . . . . 4035 1 658 . 1 1 55 55 TYR CD1 C 13 130.94 . . 1 . . . . . . . . 4035 1 659 . 1 1 55 55 TYR CD2 C 13 130.94 . . 1 . . . . . . . . 4035 1 660 . 1 1 55 55 TYR CE1 C 13 115.25 . . 1 . . . . . . . . 4035 1 661 . 1 1 55 55 TYR CE2 C 13 115.25 . . 1 . . . . . . . . 4035 1 662 . 1 1 55 55 TYR N N 15 114.58 . . 1 . . . . . . . . 4035 1 663 . 1 1 56 56 ILE H H 1 9.35 . . 1 . . . . . . . . 4035 1 664 . 1 1 56 56 ILE HA H 1 4.26 . . 1 . . . . . . . . 4035 1 665 . 1 1 56 56 ILE HB H 1 1.87 . . 1 . . . . . . . . 4035 1 666 . 1 1 56 56 ILE HG12 H 1 1.50 . . 2 . . . . . . . . 4035 1 667 . 1 1 56 56 ILE HG13 H 1 1.24 . . 2 . . . . . . . . 4035 1 668 . 1 1 56 56 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4035 1 669 . 1 1 56 56 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4035 1 670 . 1 1 56 56 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4035 1 671 . 1 1 56 56 ILE HD11 H 1 0.90 . . 1 . . . . . . . . 4035 1 672 . 1 1 56 56 ILE HD12 H 1 0.90 . . 1 . . . . . . . . 4035 1 673 . 1 1 56 56 ILE HD13 H 1 0.90 . . 1 . . . . . . . . 4035 1 674 . 1 1 56 56 ILE CA C 13 59.62 . . 1 . . . . . . . . 4035 1 675 . 1 1 56 56 ILE CB C 13 37.32 . . 1 . . . . . . . . 4035 1 676 . 1 1 56 56 ILE CG1 C 13 26.03 . . 1 . . . . . . . . 4035 1 677 . 1 1 56 56 ILE CG2 C 13 16.11 . . 1 . . . . . . . . 4035 1 678 . 1 1 56 56 ILE CD1 C 13 11.98 . . 1 . . . . . . . . 4035 1 679 . 1 1 56 56 ILE N N 15 117.99 . . 1 . . . . . . . . 4035 1 680 . 1 1 57 57 SER H H 1 7.49 . . 1 . . . . . . . . 4035 1 681 . 1 1 57 57 SER HA H 1 4.90 . . 1 . . . . . . . . 4035 1 682 . 1 1 57 57 SER HB2 H 1 4.37 . . 2 . . . . . . . . 4035 1 683 . 1 1 57 57 SER HB3 H 1 4.10 . . 2 . . . . . . . . 4035 1 684 . 1 1 57 57 SER CA C 13 54.39 . . 1 . . . . . . . . 4035 1 685 . 1 1 57 57 SER CB C 13 64.03 . . 1 . . . . . . . . 4035 1 686 . 1 1 57 57 SER N N 15 110.06 . . 1 . . . . . . . . 4035 1 687 . 1 1 58 58 THR HA H 1 3.80 . . 1 . . . . . . . . 4035 1 688 . 1 1 58 58 THR HB H 1 4.43 . . 1 . . . . . . . . 4035 1 689 . 1 1 58 58 THR HG21 H 1 1.38 . . 1 . . . . . . . . 4035 1 690 . 1 1 58 58 THR HG22 H 1 1.38 . . 1 . . . . . . . . 4035 1 691 . 1 1 58 58 THR HG23 H 1 1.38 . . 1 . . . . . . . . 4035 1 692 . 1 1 58 58 THR CA C 13 63.75 . . 1 . . . . . . . . 4035 1 693 . 1 1 58 58 THR CB C 13 65.68 . . 1 . . . . . . . . 4035 1 694 . 1 1 58 58 THR CG2 C 13 20.80 . . 1 . . . . . . . . 4035 1 695 . 1 1 59 59 SER H H 1 7.97 . . 1 . . . . . . . . 4035 1 696 . 1 1 59 59 SER HA H 1 4.37 . . 1 . . . . . . . . 4035 1 697 . 1 1 59 59 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4035 1 698 . 1 1 59 59 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4035 1 699 . 1 1 59 59 SER CA C 13 59.62 . . 1 . . . . . . . . 4035 1 700 . 1 1 59 59 SER CB C 13 60.45 . . 1 . . . . . . . . 4035 1 701 . 1 1 59 59 SER N N 15 118.21 . . 1 . . . . . . . . 4035 1 702 . 1 1 60 60 GLN H H 1 7.96 . . 1 . . . . . . . . 4035 1 703 . 1 1 60 60 GLN HA H 1 4.22 . . 1 . . . . . . . . 4035 1 704 . 1 1 60 60 GLN HB2 H 1 2.55 . . 1 . . . . . . . . 4035 1 705 . 1 1 60 60 GLN HB3 H 1 2.55 . . 1 . . . . . . . . 4035 1 706 . 1 1 60 60 GLN HG2 H 1 2.06 . . 1 . . . . . . . . 4035 1 707 . 1 1 60 60 GLN HG3 H 1 2.06 . . 1 . . . . . . . . 4035 1 708 . 1 1 60 60 GLN CA C 13 57.06 . . 1 . . . . . . . . 4035 1 709 . 1 1 60 60 GLN CB C 13 27.75 . . 1 . . . . . . . . 4035 1 710 . 1 1 60 60 GLN N N 15 123.94 . . 1 . . . . . . . . 4035 1 711 . 1 1 61 61 ARG H H 1 7.19 . . 1 . . . . . . . . 4035 1 712 . 1 1 61 61 ARG HA H 1 3.13 . . 1 . . . . . . . . 4035 1 713 . 1 1 61 61 ARG HB2 H 1 1.99 . . 1 . . . . . . . . 4035 1 714 . 1 1 61 61 ARG HB3 H 1 1.99 . . 1 . . . . . . . . 4035 1 715 . 1 1 61 61 ARG HG2 H 1 0.46 . . 1 . . . . . . . . 4035 1 716 . 1 1 61 61 ARG HG3 H 1 0.46 . . 1 . . . . . . . . 4035 1 717 . 1 1 61 61 ARG HD2 H 1 2.90 . . 1 . . . . . . . . 4035 1 718 . 1 1 61 61 ARG HD3 H 1 2.24 . . 1 . . . . . . . . 4035 1 719 . 1 1 61 61 ARG CA C 13 57.69 . . 1 . . . . . . . . 4035 1 720 . 1 1 61 61 ARG N N 15 118.32 . . 1 . . . . . . . . 4035 1 721 . 1 1 62 62 ASP H H 1 8.29 . . 1 . . . . . . . . 4035 1 722 . 1 1 62 62 ASP HA H 1 4.37 . . 1 . . . . . . . . 4035 1 723 . 1 1 62 62 ASP HB2 H 1 2.93 . . 2 . . . . . . . . 4035 1 724 . 1 1 62 62 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 4035 1 725 . 1 1 62 62 ASP CA C 13 55.77 . . 1 . . . . . . . . 4035 1 726 . 1 1 62 62 ASP CB C 13 37.87 . . 1 . . . . . . . . 4035 1 727 . 1 1 62 62 ASP N N 15 119.75 . . 1 . . . . . . . . 4035 1 728 . 1 1 63 63 ASP H H 1 8.17 . . 1 . . . . . . . . 4035 1 729 . 1 1 63 63 ASP HA H 1 4.50 . . 1 . . . . . . . . 4035 1 730 . 1 1 63 63 ASP HB2 H 1 3.05 . . 2 . . . . . . . . 4035 1 731 . 1 1 63 63 ASP HB3 H 1 2.77 . . 2 . . . . . . . . 4035 1 732 . 1 1 63 63 ASP CA C 13 55.77 . . 1 . . . . . . . . 4035 1 733 . 1 1 63 63 ASP CB C 13 38.42 . . 1 . . . . . . . . 4035 1 734 . 1 1 63 63 ASP N N 15 121.63 . . 1 . . . . . . . . 4035 1 735 . 1 1 64 64 PHE H H 1 9.02 . . 1 . . . . . . . . 4035 1 736 . 1 1 64 64 PHE HA H 1 4.05 . . 1 . . . . . . . . 4035 1 737 . 1 1 64 64 PHE HB2 H 1 4.14 . . 2 . . . . . . . . 4035 1 738 . 1 1 64 64 PHE HB3 H 1 3.79 . . 2 . . . . . . . . 4035 1 739 . 1 1 64 64 PHE HD1 H 1 7.37 . . 1 . . . . . . . . 4035 1 740 . 1 1 64 64 PHE HD2 H 1 7.37 . . 1 . . . . . . . . 4035 1 741 . 1 1 64 64 PHE HE1 H 1 7.16 . . 1 . . . . . . . . 4035 1 742 . 1 1 64 64 PHE HE2 H 1 7.16 . . 1 . . . . . . . . 4035 1 743 . 1 1 64 64 PHE HZ H 1 7.00 . . 1 . . . . . . . . 4035 1 744 . 1 1 64 64 PHE CA C 13 60.73 . . 1 . . . . . . . . 4035 1 745 . 1 1 64 64 PHE CB C 13 35.94 . . 1 . . . . . . . . 4035 1 746 . 1 1 64 64 PHE CD1 C 13 131.22 . . 1 . . . . . . . . 4035 1 747 . 1 1 64 64 PHE CD2 C 13 131.22 . . 1 . . . . . . . . 4035 1 748 . 1 1 64 64 PHE CE1 C 13 129.84 . . 1 . . . . . . . . 4035 1 749 . 1 1 64 64 PHE CE2 C 13 129.84 . . 1 . . . . . . . . 4035 1 750 . 1 1 64 64 PHE CZ C 13 128.19 . . 1 . . . . . . . . 4035 1 751 . 1 1 64 64 PHE N N 15 123.06 . . 1 . . . . . . . . 4035 1 752 . 1 1 65 65 LEU H H 1 8.55 . . 1 . . . . . . . . 4035 1 753 . 1 1 65 65 LEU HA H 1 4.14 . . 1 . . . . . . . . 4035 1 754 . 1 1 65 65 LEU HB2 H 1 2.05 . . 2 . . . . . . . . 4035 1 755 . 1 1 65 65 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 4035 1 756 . 1 1 65 65 LEU HG H 1 1.92 . . 1 . . . . . . . . 4035 1 757 . 1 1 65 65 LEU HD11 H 1 1.01 . . 2 . . . . . . . . 4035 1 758 . 1 1 65 65 LEU HD12 H 1 1.01 . . 2 . . . . . . . . 4035 1 759 . 1 1 65 65 LEU HD13 H 1 1.01 . . 2 . . . . . . . . 4035 1 760 . 1 1 65 65 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 4035 1 761 . 1 1 65 65 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 4035 1 762 . 1 1 65 65 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 4035 1 763 . 1 1 65 65 LEU CA C 13 55.22 . . 1 . . . . . . . . 4035 1 764 . 1 1 65 65 LEU CB C 13 39.80 . . 1 . . . . . . . . 4035 1 765 . 1 1 65 65 LEU CG C 13 25.75 . . 1 . . . . . . . . 4035 1 766 . 1 1 65 65 LEU CD1 C 13 20.52 . . 2 . . . . . . . . 4035 1 767 . 1 1 65 65 LEU CD2 C 13 23.82 . . 2 . . . . . . . . 4035 1 768 . 1 1 65 65 LEU N N 15 119.42 . . 1 . . . . . . . . 4035 1 769 . 1 1 66 66 ASN H H 1 8.10 . . 1 . . . . . . . . 4035 1 770 . 1 1 66 66 ASN HA H 1 4.70 . . 1 . . . . . . . . 4035 1 771 . 1 1 66 66 ASN HB2 H 1 2.90 . . 1 . . . . . . . . 4035 1 772 . 1 1 66 66 ASN HB3 H 1 2.90 . . 1 . . . . . . . . 4035 1 773 . 1 1 66 66 ASN HD21 H 1 7.69 . . 2 . . . . . . . . 4035 1 774 . 1 1 66 66 ASN HD22 H 1 6.84 . . 2 . . . . . . . . 4035 1 775 . 1 1 66 66 ASN CA C 13 52.46 . . 1 . . . . . . . . 4035 1 776 . 1 1 66 66 ASN CB C 13 37.59 . . 1 . . . . . . . . 4035 1 777 . 1 1 66 66 ASN N N 15 115.35 . . 1 . . . . . . . . 4035 1 778 . 1 1 66 66 ASN ND2 N 15 113.03 . . 1 . . . . . . . . 4035 1 779 . 1 1 67 67 THR H H 1 7.60 . . 1 . . . . . . . . 4035 1 780 . 1 1 67 67 THR HA H 1 4.14 . . 1 . . . . . . . . 4035 1 781 . 1 1 67 67 THR HB H 1 3.76 . . 1 . . . . . . . . 4035 1 782 . 1 1 67 67 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4035 1 783 . 1 1 67 67 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4035 1 784 . 1 1 67 67 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4035 1 785 . 1 1 67 67 THR CA C 13 63.20 . . 1 . . . . . . . . 4035 1 786 . 1 1 67 67 THR CB C 13 68.44 . . 1 . . . . . . . . 4035 1 787 . 1 1 67 67 THR CG2 C 13 19.14 . . 1 . . . . . . . . 4035 1 788 . 1 1 67 67 THR N N 15 114.91 . . 1 . . . . . . . . 4035 1 789 . 1 1 68 68 VAL H H 1 7.92 . . 1 . . . . . . . . 4035 1 790 . 1 1 68 68 VAL HA H 1 3.12 . . 1 . . . . . . . . 4035 1 791 . 1 1 68 68 VAL HB H 1 1.02 . . 1 . . . . . . . . 4035 1 792 . 1 1 68 68 VAL HG11 H 1 0.20 . . 2 . . . . . . . . 4035 1 793 . 1 1 68 68 VAL HG12 H 1 0.20 . . 2 . . . . . . . . 4035 1 794 . 1 1 68 68 VAL HG13 H 1 0.20 . . 2 . . . . . . . . 4035 1 795 . 1 1 68 68 VAL HG21 H 1 -0.24 . . 2 . . . . . . . . 4035 1 796 . 1 1 68 68 VAL HG22 H 1 -0.24 . . 2 . . . . . . . . 4035 1 797 . 1 1 68 68 VAL HG23 H 1 -0.24 . . 2 . . . . . . . . 4035 1 798 . 1 1 68 68 VAL CA C 13 61.28 . . 1 . . . . . . . . 4035 1 799 . 1 1 68 68 VAL CB C 13 29.33 . . 1 . . . . . . . . 4035 1 800 . 1 1 68 68 VAL CG1 C 13 18.32 . . 2 . . . . . . . . 4035 1 801 . 1 1 68 68 VAL CG2 C 13 18.59 . . 2 . . . . . . . . 4035 1 802 . 1 1 68 68 VAL N N 15 121.63 . . 1 . . . . . . . . 4035 1 803 . 1 1 69 69 LYS H H 1 7.96 . . 1 . . . . . . . . 4035 1 804 . 1 1 69 69 LYS HA H 1 4.22 . . 1 . . . . . . . . 4035 1 805 . 1 1 69 69 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 4035 1 806 . 1 1 69 69 LYS HB3 H 1 1.65 . . 2 . . . . . . . . 4035 1 807 . 1 1 69 69 LYS HG2 H 1 1.39 . . 2 . . . . . . . . 4035 1 808 . 1 1 69 69 LYS HG3 H 1 1.31 . . 2 . . . . . . . . 4035 1 809 . 1 1 69 69 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4035 1 810 . 1 1 69 69 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4035 1 811 . 1 1 69 69 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4035 1 812 . 1 1 69 69 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 4035 1 813 . 1 1 69 69 LYS CA C 13 53.56 . . 1 . . . . . . . . 4035 1 814 . 1 1 69 69 LYS CB C 13 29.33 . . 1 . . . . . . . . 4035 1 815 . 1 1 69 69 LYS CG C 13 22.72 . . 1 . . . . . . . . 4035 1 816 . 1 1 69 69 LYS CD C 13 26.86 . . 1 . . . . . . . . 4035 1 817 . 1 1 69 69 LYS CE C 13 40.07 . . 1 . . . . . . . . 4035 1 818 . 1 1 69 69 LYS N N 15 125.70 . . 1 . . . . . . . . 4035 1 819 . 1 1 70 70 ILE H H 1 8.54 . . 1 . . . . . . . . 4035 1 820 . 1 1 70 70 ILE HA H 1 4.37 . . 1 . . . . . . . . 4035 1 821 . 1 1 70 70 ILE HB H 1 1.89 . . 1 . . . . . . . . 4035 1 822 . 1 1 70 70 ILE HG12 H 1 1.45 . . 2 . . . . . . . . 4035 1 823 . 1 1 70 70 ILE HG13 H 1 1.23 . . 2 . . . . . . . . 4035 1 824 . 1 1 70 70 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4035 1 825 . 1 1 70 70 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4035 1 826 . 1 1 70 70 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4035 1 827 . 1 1 70 70 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 4035 1 828 . 1 1 70 70 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 4035 1 829 . 1 1 70 70 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 4035 1 830 . 1 1 70 70 ILE CA C 13 54.94 . . 1 . . . . . . . . 4035 1 831 . 1 1 70 70 ILE CB C 13 37.04 . . 1 . . . . . . . . 4035 1 832 . 1 1 70 70 ILE CG1 C 13 25.20 . . 1 . . . . . . . . 4035 1 833 . 1 1 70 70 ILE CG2 C 13 15.01 . . 1 . . . . . . . . 4035 1 834 . 1 1 70 70 ILE CD1 C 13 9.51 . . 1 . . . . . . . . 4035 1 835 . 1 1 70 70 ILE N N 15 128.01 . . 1 . . . . . . . . 4035 1 836 . 1 1 71 71 PRO HA H 1 4.53 . . 1 . . . . . . . . 4035 1 837 . 1 1 71 71 PRO HB2 H 1 2.46 . . 2 . . . . . . . . 4035 1 838 . 1 1 71 71 PRO HB3 H 1 2.02 . . 2 . . . . . . . . 4035 1 839 . 1 1 71 71 PRO HG2 H 1 2.05 . . 2 . . . . . . . . 4035 1 840 . 1 1 71 71 PRO HG3 H 1 1.96 . . 2 . . . . . . . . 4035 1 841 . 1 1 71 71 PRO HD2 H 1 3.44 . . 2 . . . . . . . . 4035 1 842 . 1 1 71 71 PRO HD3 H 1 3.85 . . 2 . . . . . . . . 4035 1 843 . 1 1 71 71 PRO CA C 13 61.00 . . 1 . . . . . . . . 4035 1 844 . 1 1 71 71 PRO CB C 13 30.98 . . 1 . . . . . . . . 4035 1 845 . 1 1 71 71 PRO CG C 13 25.48 . . 1 . . . . . . . . 4035 1 846 . 1 1 71 71 PRO CD C 13 49.43 . . 1 . . . . . . . . 4035 1 847 . 1 1 72 72 ASN H H 1 8.13 . . 1 . . . . . . . . 4035 1 848 . 1 1 72 72 ASN HA H 1 4.58 . . 1 . . . . . . . . 4035 1 849 . 1 1 72 72 ASN HB2 H 1 3.07 . . 2 . . . . . . . . 4035 1 850 . 1 1 72 72 ASN HB3 H 1 2.94 . . 2 . . . . . . . . 4035 1 851 . 1 1 72 72 ASN HD21 H 1 7.63 . . 2 . . . . . . . . 4035 1 852 . 1 1 72 72 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4035 1 853 . 1 1 72 72 ASN CA C 13 53.29 . . 1 . . . . . . . . 4035 1 854 . 1 1 72 72 ASN CB C 13 35.67 . . 1 . . . . . . . . 4035 1 855 . 1 1 72 72 ASN N N 15 126.69 . . 1 . . . . . . . . 4035 1 856 . 1 1 72 72 ASN ND2 N 15 111.49 . . 1 . . . . . . . . 4035 1 857 . 1 1 73 73 THR H H 1 7.28 . . 1 . . . . . . . . 4035 1 858 . 1 1 73 73 THR HA H 1 4.18 . . 1 . . . . . . . . 4035 1 859 . 1 1 73 73 THR HB H 1 4.49 . . 1 . . . . . . . . 4035 1 860 . 1 1 73 73 THR HG21 H 1 1.29 . . 1 . . . . . . . . 4035 1 861 . 1 1 73 73 THR HG22 H 1 1.29 . . 1 . . . . . . . . 4035 1 862 . 1 1 73 73 THR HG23 H 1 1.29 . . 1 . . . . . . . . 4035 1 863 . 1 1 73 73 THR CA C 13 59.62 . . 1 . . . . . . . . 4035 1 864 . 1 1 73 73 THR CB C 13 66.69 . . 1 . . . . . . . . 4035 1 865 . 1 1 73 73 THR CG2 C 13 20.80 . . 1 . . . . . . . . 4035 1 866 . 1 1 73 73 THR N N 15 107.20 . . 1 . . . . . . . . 4035 1 867 . 1 1 74 74 VAL H H 1 7.85 . . 1 . . . . . . . . 4035 1 868 . 1 1 74 74 VAL HA H 1 4.59 . . 1 . . . . . . . . 4035 1 869 . 1 1 74 74 VAL HB H 1 2.04 . . 1 . . . . . . . . 4035 1 870 . 1 1 74 74 VAL HG11 H 1 0.74 . . 1 . . . . . . . . 4035 1 871 . 1 1 74 74 VAL HG12 H 1 0.74 . . 1 . . . . . . . . 4035 1 872 . 1 1 74 74 VAL HG13 H 1 0.74 . . 1 . . . . . . . . 4035 1 873 . 1 1 74 74 VAL HG21 H 1 0.74 . . 1 . . . . . . . . 4035 1 874 . 1 1 74 74 VAL HG22 H 1 0.74 . . 1 . . . . . . . . 4035 1 875 . 1 1 74 74 VAL HG23 H 1 0.74 . . 1 . . . . . . . . 4035 1 876 . 1 1 74 74 VAL CA C 13 59.07 . . 1 . . . . . . . . 4035 1 877 . 1 1 74 74 VAL CB C 13 32.09 . . 1 . . . . . . . . 4035 1 878 . 1 1 74 74 VAL CG1 C 13 20.80 . . 1 . . . . . . . . 4035 1 879 . 1 1 74 74 VAL CG2 C 13 20.80 . . 1 . . . . . . . . 4035 1 880 . 1 1 74 74 VAL N N 15 123.94 . . 1 . . . . . . . . 4035 1 881 . 1 1 75 75 SER H H 1 9.01 . . 1 . . . . . . . . 4035 1 882 . 1 1 75 75 SER HA H 1 4.78 . . 1 . . . . . . . . 4035 1 883 . 1 1 75 75 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4035 1 884 . 1 1 75 75 SER HB3 H 1 3.86 . . 1 . . . . . . . . 4035 1 885 . 1 1 75 75 SER CA C 13 55.22 . . 1 . . . . . . . . 4035 1 886 . 1 1 75 75 SER CB C 13 62.65 . . 1 . . . . . . . . 4035 1 887 . 1 1 75 75 SER N N 15 120.75 . . 1 . . . . . . . . 4035 1 888 . 1 1 76 76 VAL H H 1 8.66 . . 1 . . . . . . . . 4035 1 889 . 1 1 76 76 VAL HA H 1 4.73 . . 1 . . . . . . . . 4035 1 890 . 1 1 76 76 VAL HB H 1 2.05 . . 1 . . . . . . . . 4035 1 891 . 1 1 76 76 VAL HG11 H 1 0.95 . . 1 . . . . . . . . 4035 1 892 . 1 1 76 76 VAL HG12 H 1 0.95 . . 1 . . . . . . . . 4035 1 893 . 1 1 76 76 VAL HG13 H 1 0.95 . . 1 . . . . . . . . 4035 1 894 . 1 1 76 76 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 4035 1 895 . 1 1 76 76 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 4035 1 896 . 1 1 76 76 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 4035 1 897 . 1 1 76 76 VAL CA C 13 59.90 . . 1 . . . . . . . . 4035 1 898 . 1 1 76 76 VAL CB C 13 32.36 . . 1 . . . . . . . . 4035 1 899 . 1 1 76 76 VAL CG1 C 13 19.97 . . 2 . . . . . . . . 4035 1 900 . 1 1 76 76 VAL CG2 C 13 19.42 . . 2 . . . . . . . . 4035 1 901 . 1 1 76 76 VAL N N 15 124.71 . . 1 . . . . . . . . 4035 1 902 . 1 1 77 77 SER H H 1 8.85 . . 1 . . . . . . . . 4035 1 903 . 1 1 77 77 SER HA H 1 5.11 . . 1 . . . . . . . . 4035 1 904 . 1 1 77 77 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4035 1 905 . 1 1 77 77 SER HB3 H 1 3.80 . . 2 . . . . . . . . 4035 1 906 . 1 1 77 77 SER CA C 13 54.94 . . 1 . . . . . . . . 4035 1 907 . 1 1 77 77 SER CB C 13 63.48 . . 1 . . . . . . . . 4035 1 908 . 1 1 77 77 SER N N 15 122.73 . . 1 . . . . . . . . 4035 1 909 . 1 1 78 78 THR H H 1 8.62 . . 1 . . . . . . . . 4035 1 910 . 1 1 78 78 THR HA H 1 4.85 . . 1 . . . . . . . . 4035 1 911 . 1 1 78 78 THR HB H 1 4.06 . . 1 . . . . . . . . 4035 1 912 . 1 1 78 78 THR HG21 H 1 1.12 . . 1 . . . . . . . . 4035 1 913 . 1 1 78 78 THR HG22 H 1 1.12 . . 1 . . . . . . . . 4035 1 914 . 1 1 78 78 THR HG23 H 1 1.12 . . 1 . . . . . . . . 4035 1 915 . 1 1 78 78 THR CA C 13 57.97 . . 1 . . . . . . . . 4035 1 916 . 1 1 78 78 THR CB C 13 68.44 . . 1 . . . . . . . . 4035 1 917 . 1 1 78 78 THR CG2 C 13 20.25 . . 1 . . . . . . . . 4035 1 918 . 1 1 78 78 THR N N 15 114.36 . . 1 . . . . . . . . 4035 1 919 . 1 1 79 79 GLY H H 1 7.50 . . 1 . . . . . . . . 4035 1 920 . 1 1 79 79 GLY HA2 H 1 4.34 . . 2 . . . . . . . . 4035 1 921 . 1 1 79 79 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 4035 1 922 . 1 1 79 79 GLY CA C 13 44.20 . . 1 . . . . . . . . 4035 1 923 . 1 1 79 79 GLY N N 15 107.75 . . 1 . . . . . . . . 4035 1 924 . 1 1 80 80 TYR H H 1 8.96 . . 1 . . . . . . . . 4035 1 925 . 1 1 80 80 TYR HA H 1 5.46 . . 1 . . . . . . . . 4035 1 926 . 1 1 80 80 TYR HB2 H 1 2.97 . . 2 . . . . . . . . 4035 1 927 . 1 1 80 80 TYR HB3 H 1 2.64 . . 2 . . . . . . . . 4035 1 928 . 1 1 80 80 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 4035 1 929 . 1 1 80 80 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 4035 1 930 . 1 1 80 80 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 4035 1 931 . 1 1 80 80 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 4035 1 932 . 1 1 80 80 TYR CA C 13 55.22 . . 1 . . . . . . . . 4035 1 933 . 1 1 80 80 TYR CB C 13 41.45 . . 1 . . . . . . . . 4035 1 934 . 1 1 80 80 TYR CD1 C 13 131.77 . . 1 . . . . . . . . 4035 1 935 . 1 1 80 80 TYR CD2 C 13 131.77 . . 1 . . . . . . . . 4035 1 936 . 1 1 80 80 TYR CE1 C 13 116.07 . . 1 . . . . . . . . 4035 1 937 . 1 1 80 80 TYR CE2 C 13 116.07 . . 1 . . . . . . . . 4035 1 938 . 1 1 80 80 TYR N N 15 119.86 . . 1 . . . . . . . . 4035 1 939 . 1 1 81 81 MET H H 1 9.18 . . 1 . . . . . . . . 4035 1 940 . 1 1 81 81 MET HA H 1 5.36 . . 1 . . . . . . . . 4035 1 941 . 1 1 81 81 MET HB2 H 1 2.17 . . 1 . . . . . . . . 4035 1 942 . 1 1 81 81 MET HB3 H 1 2.13 . . 1 . . . . . . . . 4035 1 943 . 1 1 81 81 MET HG2 H 1 2.76 . . 1 . . . . . . . . 4035 1 944 . 1 1 81 81 MET HG3 H 1 2.57 . . 1 . . . . . . . . 4035 1 945 . 1 1 81 81 MET HE1 H 1 2.29 . . 1 . . . . . . . . 4035 1 946 . 1 1 81 81 MET HE2 H 1 2.29 . . 1 . . . . . . . . 4035 1 947 . 1 1 81 81 MET HE3 H 1 2.29 . . 1 . . . . . . . . 4035 1 948 . 1 1 81 81 MET CA C 13 53.29 . . 1 . . . . . . . . 4035 1 949 . 1 1 81 81 MET CB C 13 36.22 . . 1 . . . . . . . . 4035 1 950 . 1 1 81 81 MET CG C 13 29.33 . . 1 . . . . . . . . 4035 1 951 . 1 1 81 81 MET CE C 13 14.74 . . 1 . . . . . . . . 4035 1 952 . 1 1 81 81 MET N N 15 119.20 . . 1 . . . . . . . . 4035 1 953 . 1 1 82 82 THR H H 1 8.94 . . 1 . . . . . . . . 4035 1 954 . 1 1 82 82 THR HA H 1 5.16 . . 1 . . . . . . . . 4035 1 955 . 1 1 82 82 THR HB H 1 4.02 . . 1 . . . . . . . . 4035 1 956 . 1 1 82 82 THR HG21 H 1 1.39 . . 1 . . . . . . . . 4035 1 957 . 1 1 82 82 THR HG22 H 1 1.39 . . 1 . . . . . . . . 4035 1 958 . 1 1 82 82 THR HG23 H 1 1.39 . . 1 . . . . . . . . 4035 1 959 . 1 1 82 82 THR CA C 13 60.45 . . 1 . . . . . . . . 4035 1 960 . 1 1 82 82 THR CB C 13 68.71 . . 1 . . . . . . . . 4035 1 961 . 1 1 82 82 THR CG2 C 13 19.70 . . 1 . . . . . . . . 4035 1 962 . 1 1 82 82 THR N N 15 122.84 . . 1 . . . . . . . . 4035 1 963 . 1 1 83 83 ILE H H 1 8.31 . . 1 . . . . . . . . 4035 1 964 . 1 1 83 83 ILE HA H 1 4.33 . . 1 . . . . . . . . 4035 1 965 . 1 1 83 83 ILE HB H 1 1.88 . . 1 . . . . . . . . 4035 1 966 . 1 1 83 83 ILE HG12 H 1 1.48 . . 2 . . . . . . . . 4035 1 967 . 1 1 83 83 ILE HG13 H 1 1.23 . . 2 . . . . . . . . 4035 1 968 . 1 1 83 83 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4035 1 969 . 1 1 83 83 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4035 1 970 . 1 1 83 83 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4035 1 971 . 1 1 83 83 ILE HD11 H 1 0.65 . . 1 . . . . . . . . 4035 1 972 . 1 1 83 83 ILE HD12 H 1 0.65 . . 1 . . . . . . . . 4035 1 973 . 1 1 83 83 ILE HD13 H 1 0.65 . . 1 . . . . . . . . 4035 1 974 . 1 1 83 83 ILE CA C 13 60.73 . . 1 . . . . . . . . 4035 1 975 . 1 1 83 83 ILE CB C 13 38.15 . . 1 . . . . . . . . 4035 1 976 . 1 1 83 83 ILE CG1 C 13 26.03 . . 1 . . . . . . . . 4035 1 977 . 1 1 83 83 ILE CG2 C 13 16.11 . . 1 . . . . . . . . 4035 1 978 . 1 1 83 83 ILE CD1 C 13 11.71 . . 1 . . . . . . . . 4035 1 979 . 1 1 83 83 ILE N N 15 130.44 . . 1 . . . . . . . . 4035 1 stop_ save_