data_26021 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26021 _Entry.Title ; Sr33 Coiled-coil domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-30 _Entry.Accession_date 2016-03-30 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _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 'NMR, 20 STRUCTURES' _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 ; Coiled-coil domain of Sr33. First three residues (SNA)are residual sample preparation (TEV). Glycine 6 is the first native residue. ; _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 Peter Lavrencic . . . . 26021 2 Mehdi Mobli . . . . 26021 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26021 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Sr33 . 26021 'coiled-coil domain' . 26021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 26021 '15N chemical shifts' 120 26021 '1H chemical shifts' 865 26021 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 . . 2018-06-30 2016-03-30 update BMRB 'update entry citation' 26021 1 . . 2016-10-13 2016-03-30 original author 'original release' 26021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NCG 'BMRB Entry Tracking System' 26021 UniProt S5DUP7 'UniProt database' 26021 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26021 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27791121 _Citation.Full_citation . _Citation.Title ; The CC domain structure from the wheat stem rust resistance protein Sr33 challenges paradigms for dimerization in plant NLR proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 . _Citation.Page_last . _Citation.Year 2016 _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 Lachlan Casey L. W. . . 26021 1 2 Peter Lavrencic P. . . . 26021 1 3 Adam Bentham A. R. . . 26021 1 4 Stella Cesari S. . . . 26021 1 5 Daniel Ericsson D. J. . . 26021 1 6 Tristan Croll T. . . . 26021 1 7 Dusan Turk D. . . . 26021 1 8 Peter Anderson P. A. . . 26021 1 9 Alan Mark A. E. . . 26021 1 10 Peter Dodds P. N. . . 26021 1 11 Mehdi Mobli M. . . . 26021 1 12 Bostjan Kobe B. . . . 26021 1 13 Simon Williams S. J. . . 26021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26021 _Assembly.ID 1 _Assembly.Name 'Sr33 Coiled-coil domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 $entity A . yes native no no . . . 26021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SNAGAIAKLIPKLGELLVGE YKLHKGVKKNIEDLLKELKT MNAALIKIGEVPPDQLDSQD KLWADEVRELSYVIEDAVDK FLVRVHGVEPDDNTNGFKGL MKRTTKLLKKVVDKHGIA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Coiled-coil domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13138.456 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 3 SER . 26021 1 2 4 ASN . 26021 1 3 5 ALA . 26021 1 4 6 GLY . 26021 1 5 7 ALA . 26021 1 6 8 ILE . 26021 1 7 9 ALA . 26021 1 8 10 LYS . 26021 1 9 11 LEU . 26021 1 10 12 ILE . 26021 1 11 13 PRO . 26021 1 12 14 LYS . 26021 1 13 15 LEU . 26021 1 14 16 GLY . 26021 1 15 17 GLU . 26021 1 16 18 LEU . 26021 1 17 19 LEU . 26021 1 18 20 VAL . 26021 1 19 21 GLY . 26021 1 20 22 GLU . 26021 1 21 23 TYR . 26021 1 22 24 LYS . 26021 1 23 25 LEU . 26021 1 24 26 HIS . 26021 1 25 27 LYS . 26021 1 26 28 GLY . 26021 1 27 29 VAL . 26021 1 28 30 LYS . 26021 1 29 31 LYS . 26021 1 30 32 ASN . 26021 1 31 33 ILE . 26021 1 32 34 GLU . 26021 1 33 35 ASP . 26021 1 34 36 LEU . 26021 1 35 37 LEU . 26021 1 36 38 LYS . 26021 1 37 39 GLU . 26021 1 38 40 LEU . 26021 1 39 41 LYS . 26021 1 40 42 THR . 26021 1 41 43 MET . 26021 1 42 44 ASN . 26021 1 43 45 ALA . 26021 1 44 46 ALA . 26021 1 45 47 LEU . 26021 1 46 48 ILE . 26021 1 47 49 LYS . 26021 1 48 50 ILE . 26021 1 49 51 GLY . 26021 1 50 52 GLU . 26021 1 51 53 VAL . 26021 1 52 54 PRO . 26021 1 53 55 PRO . 26021 1 54 56 ASP . 26021 1 55 57 GLN . 26021 1 56 58 LEU . 26021 1 57 59 ASP . 26021 1 58 60 SER . 26021 1 59 61 GLN . 26021 1 60 62 ASP . 26021 1 61 63 LYS . 26021 1 62 64 LEU . 26021 1 63 65 TRP . 26021 1 64 66 ALA . 26021 1 65 67 ASP . 26021 1 66 68 GLU . 26021 1 67 69 VAL . 26021 1 68 70 ARG . 26021 1 69 71 GLU . 26021 1 70 72 LEU . 26021 1 71 73 SER . 26021 1 72 74 TYR . 26021 1 73 75 VAL . 26021 1 74 76 ILE . 26021 1 75 77 GLU . 26021 1 76 78 ASP . 26021 1 77 79 ALA . 26021 1 78 80 VAL . 26021 1 79 81 ASP . 26021 1 80 82 LYS . 26021 1 81 83 PHE . 26021 1 82 84 LEU . 26021 1 83 85 VAL . 26021 1 84 86 ARG . 26021 1 85 87 VAL . 26021 1 86 88 HIS . 26021 1 87 89 GLY . 26021 1 88 90 VAL . 26021 1 89 91 GLU . 26021 1 90 92 PRO . 26021 1 91 93 ASP . 26021 1 92 94 ASP . 26021 1 93 95 ASN . 26021 1 94 96 THR . 26021 1 95 97 ASN . 26021 1 96 98 GLY . 26021 1 97 99 PHE . 26021 1 98 100 LYS . 26021 1 99 101 GLY . 26021 1 100 102 LEU . 26021 1 101 103 MET . 26021 1 102 104 LYS . 26021 1 103 105 ARG . 26021 1 104 106 THR . 26021 1 105 107 THR . 26021 1 106 108 LYS . 26021 1 107 109 LEU . 26021 1 108 110 LEU . 26021 1 109 111 LYS . 26021 1 110 112 LYS . 26021 1 111 113 VAL . 26021 1 112 114 VAL . 26021 1 113 115 ASP . 26021 1 114 116 LYS . 26021 1 115 117 HIS . 26021 1 116 118 GLY . 26021 1 117 119 ILE . 26021 1 118 120 ALA . 26021 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 . SER 1 1 26021 1 . ASN 2 2 26021 1 . ALA 3 3 26021 1 . GLY 4 4 26021 1 . ALA 5 5 26021 1 . ILE 6 6 26021 1 . ALA 7 7 26021 1 . LYS 8 8 26021 1 . LEU 9 9 26021 1 . ILE 10 10 26021 1 . PRO 11 11 26021 1 . LYS 12 12 26021 1 . LEU 13 13 26021 1 . GLY 14 14 26021 1 . GLU 15 15 26021 1 . LEU 16 16 26021 1 . LEU 17 17 26021 1 . VAL 18 18 26021 1 . GLY 19 19 26021 1 . GLU 20 20 26021 1 . TYR 21 21 26021 1 . LYS 22 22 26021 1 . LEU 23 23 26021 1 . HIS 24 24 26021 1 . LYS 25 25 26021 1 . GLY 26 26 26021 1 . VAL 27 27 26021 1 . LYS 28 28 26021 1 . LYS 29 29 26021 1 . ASN 30 30 26021 1 . ILE 31 31 26021 1 . GLU 32 32 26021 1 . ASP 33 33 26021 1 . LEU 34 34 26021 1 . LEU 35 35 26021 1 . LYS 36 36 26021 1 . GLU 37 37 26021 1 . LEU 38 38 26021 1 . LYS 39 39 26021 1 . THR 40 40 26021 1 . MET 41 41 26021 1 . ASN 42 42 26021 1 . ALA 43 43 26021 1 . ALA 44 44 26021 1 . LEU 45 45 26021 1 . ILE 46 46 26021 1 . LYS 47 47 26021 1 . ILE 48 48 26021 1 . GLY 49 49 26021 1 . GLU 50 50 26021 1 . VAL 51 51 26021 1 . PRO 52 52 26021 1 . PRO 53 53 26021 1 . ASP 54 54 26021 1 . GLN 55 55 26021 1 . LEU 56 56 26021 1 . ASP 57 57 26021 1 . SER 58 58 26021 1 . GLN 59 59 26021 1 . ASP 60 60 26021 1 . LYS 61 61 26021 1 . LEU 62 62 26021 1 . TRP 63 63 26021 1 . ALA 64 64 26021 1 . ASP 65 65 26021 1 . GLU 66 66 26021 1 . VAL 67 67 26021 1 . ARG 68 68 26021 1 . GLU 69 69 26021 1 . LEU 70 70 26021 1 . SER 71 71 26021 1 . TYR 72 72 26021 1 . VAL 73 73 26021 1 . ILE 74 74 26021 1 . GLU 75 75 26021 1 . ASP 76 76 26021 1 . ALA 77 77 26021 1 . VAL 78 78 26021 1 . ASP 79 79 26021 1 . LYS 80 80 26021 1 . PHE 81 81 26021 1 . LEU 82 82 26021 1 . VAL 83 83 26021 1 . ARG 84 84 26021 1 . VAL 85 85 26021 1 . HIS 86 86 26021 1 . GLY 87 87 26021 1 . VAL 88 88 26021 1 . GLU 89 89 26021 1 . PRO 90 90 26021 1 . ASP 91 91 26021 1 . ASP 92 92 26021 1 . ASN 93 93 26021 1 . THR 94 94 26021 1 . ASN 95 95 26021 1 . GLY 96 96 26021 1 . PHE 97 97 26021 1 . LYS 98 98 26021 1 . GLY 99 99 26021 1 . LEU 100 100 26021 1 . MET 101 101 26021 1 . LYS 102 102 26021 1 . ARG 103 103 26021 1 . THR 104 104 26021 1 . THR 105 105 26021 1 . LYS 106 106 26021 1 . LEU 107 107 26021 1 . LEU 108 108 26021 1 . LYS 109 109 26021 1 . LYS 110 110 26021 1 . VAL 111 111 26021 1 . VAL 112 112 26021 1 . ASP 113 113 26021 1 . LYS 114 114 26021 1 . HIS 115 115 26021 1 . GLY 116 116 26021 1 . ILE 117 117 26021 1 . ALA 118 118 26021 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 26021 _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 . 4565 organism . 'Triticum aestivum' 'bread wheat' . . Eukaryota Viridiplantae Triticum aestivum . . . . . . . . . . . Sr33 'Natural source: Bread wheat (Triticum aestivum)' 26021 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 26021 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL-21 . . . . . pMCSG7 . . . 26021 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26021 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 450 . . uM . . . . 26021 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 26021 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26021 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26021 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 26021 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 26021 1 pH 6.5 . pH 26021 1 pressure 1 . atm 26021 1 temperature 298 . K 26021 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26021 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26021 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 26021 1 refinement 26021 1 'structure solution' 26021 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26021 _Software.ID 2 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26021 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 26021 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26021 _Software.ID 3 _Software.Type . _Software.Name CCPNMR _Software.Version 2.4.1 _Software.DOI . _Software.Details ; CCPNMR Publication: The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken WF et al.' . . 26021 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26021 3 'peak picking' 26021 3 stop_ save_ save_Rowland_NMR_toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_toolkit _Software.Entry_ID 26021 _Software.ID 4 _Software.Type . _Software.Name Rowland_NMR_toolkit _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JC Hoch et al.' . . 26021 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26021 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26021 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26021 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26021 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26021 1 2 spectrometer_2 Bruker Avance . 900 . . . 26021 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 26021 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26021 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26021 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26021 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26021 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 26021 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 26021 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 26021 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCO' . . . 26021 1 7 '3D 1H-15N NOESY' . . . 26021 1 8 '3D 1H-13C NOESY aliphatic' . . . 26021 1 9 '3D 1H-13C NOESY aromatic' . . . 26021 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CCPNMR . . 26021 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 SER HA H 1 3.877 0.01 . . . . . . A 3 SER HA . 26021 1 2 . 1 1 1 1 SER HB2 H 1 3.898 0.01 . . . . . . A 3 SER HB2 . 26021 1 3 . 1 1 1 1 SER HB3 H 1 3.898 0.01 . . . . . . A 3 SER HB3 . 26021 1 4 . 1 1 1 1 SER CA C 13 58.372 0.2 . . . . . . A 3 SER CA . 26021 1 5 . 1 1 1 1 SER CB C 13 64.265 0.2 . . . . . . A 3 SER CB . 26021 1 6 . 1 1 2 2 ASN HA H 1 4.749 0.01 . . . . . . A 4 ASN HA . 26021 1 7 . 1 1 2 2 ASN HB2 H 1 2.813 0.01 . . . . . . A 4 ASN HB2 . 26021 1 8 . 1 1 2 2 ASN HB3 H 1 2.813 0.01 . . . . . . A 4 ASN HB3 . 26021 1 9 . 1 1 2 2 ASN HD21 H 1 7.672 0.01 . . . . . . A 4 ASN HD21 . 26021 1 10 . 1 1 2 2 ASN HD22 H 1 7.010 0.01 . . . . . . A 4 ASN HD22 . 26021 1 11 . 1 1 2 2 ASN C C 13 175.260 0.2 . . . . . . A 4 ASN C . 26021 1 12 . 1 1 2 2 ASN CA C 13 53.831 0.2 . . . . . . A 4 ASN CA . 26021 1 13 . 1 1 2 2 ASN CB C 13 38.681 0.2 . . . . . . A 4 ASN CB . 26021 1 14 . 1 1 2 2 ASN ND2 N 15 112.792 0.1 . . . . . . A 4 ASN ND2 . 26021 1 15 . 1 1 3 3 ALA H H 1 8.520 0.01 . . . . . . A 5 ALA H . 26021 1 16 . 1 1 3 3 ALA HA H 1 4.290 0.01 . . . . . . A 5 ALA HA . 26021 1 17 . 1 1 3 3 ALA HB1 H 1 1.381 0.01 . . . . . . A 5 ALA HB1 . 26021 1 18 . 1 1 3 3 ALA HB2 H 1 1.381 0.01 . . . . . . A 5 ALA HB2 . 26021 1 19 . 1 1 3 3 ALA HB3 H 1 1.381 0.01 . . . . . . A 5 ALA HB3 . 26021 1 20 . 1 1 3 3 ALA C C 13 178.256 0.2 . . . . . . A 5 ALA C . 26021 1 21 . 1 1 3 3 ALA CA C 13 53.081 0.2 . . . . . . A 5 ALA CA . 26021 1 22 . 1 1 3 3 ALA CB C 13 19.025 0.2 . . . . . . A 5 ALA CB . 26021 1 23 . 1 1 3 3 ALA N N 15 123.648 0.1 . . . . . . A 5 ALA N . 26021 1 24 . 1 1 4 4 GLY H H 1 8.350 0.01 . . . . . . A 6 GLY H . 26021 1 25 . 1 1 4 4 GLY HA2 H 1 3.887 0.01 . . . . . . A 6 GLY HA2 . 26021 1 26 . 1 1 4 4 GLY HA3 H 1 3.887 0.01 . . . . . . A 6 GLY HA3 . 26021 1 27 . 1 1 4 4 GLY C C 13 174.961 0.2 . . . . . . A 6 GLY C . 26021 1 28 . 1 1 4 4 GLY CA C 13 45.830 0.2 . . . . . . A 6 GLY CA . 26021 1 29 . 1 1 4 4 GLY N N 15 107.044 0.1 . . . . . . A 6 GLY N . 26021 1 30 . 1 1 5 5 ALA H H 1 8.078 0.01 . . . . . . A 7 ALA H . 26021 1 31 . 1 1 5 5 ALA HA H 1 4.216 0.01 . . . . . . A 7 ALA HA . 26021 1 32 . 1 1 5 5 ALA HB1 H 1 1.325 0.01 . . . . . . A 7 ALA HB1 . 26021 1 33 . 1 1 5 5 ALA HB2 H 1 1.325 0.01 . . . . . . A 7 ALA HB2 . 26021 1 34 . 1 1 5 5 ALA HB3 H 1 1.325 0.01 . . . . . . A 7 ALA HB3 . 26021 1 35 . 1 1 5 5 ALA C C 13 179.006 0.2 . . . . . . A 7 ALA C . 26021 1 36 . 1 1 5 5 ALA CA C 13 53.703 0.2 . . . . . . A 7 ALA CA . 26021 1 37 . 1 1 5 5 ALA CB C 13 18.844 0.2 . . . . . . A 7 ALA CB . 26021 1 38 . 1 1 5 5 ALA N N 15 123.366 0.1 . . . . . . A 7 ALA N . 26021 1 39 . 1 1 6 6 ILE H H 1 7.943 0.01 . . . . . . A 8 ILE H . 26021 1 40 . 1 1 6 6 ILE HA H 1 3.780 0.01 . . . . . . A 8 ILE HA . 26021 1 41 . 1 1 6 6 ILE HB H 1 2.027 0.01 . . . . . . A 8 ILE HB . 26021 1 42 . 1 1 6 6 ILE HG12 H 1 1.363 0.01 . . . . . . A 8 ILE HG12 . 26021 1 43 . 1 1 6 6 ILE HG13 H 1 1.260 0.01 . . . . . . A 8 ILE HG13 . 26021 1 44 . 1 1 6 6 ILE HG21 H 1 0.857 0.01 . . . . . . A 8 ILE HG21 . 26021 1 45 . 1 1 6 6 ILE HG22 H 1 0.857 0.01 . . . . . . A 8 ILE HG22 . 26021 1 46 . 1 1 6 6 ILE HG23 H 1 0.857 0.01 . . . . . . A 8 ILE HG23 . 26021 1 47 . 1 1 6 6 ILE HD11 H 1 0.687 0.01 . . . . . . A 8 ILE HD11 . 26021 1 48 . 1 1 6 6 ILE HD12 H 1 0.687 0.01 . . . . . . A 8 ILE HD12 . 26021 1 49 . 1 1 6 6 ILE HD13 H 1 0.687 0.01 . . . . . . A 8 ILE HD13 . 26021 1 50 . 1 1 6 6 ILE C C 13 177.032 0.2 . . . . . . A 8 ILE C . 26021 1 51 . 1 1 6 6 ILE CA C 13 63.158 0.2 . . . . . . A 8 ILE CA . 26021 1 52 . 1 1 6 6 ILE CB C 13 36.289 0.2 . . . . . . A 8 ILE CB . 26021 1 53 . 1 1 6 6 ILE CG1 C 13 28.400 0.2 . . . . . . A 8 ILE CG1 . 26021 1 54 . 1 1 6 6 ILE CG2 C 13 18.492 0.2 . . . . . . A 8 ILE CG2 . 26021 1 55 . 1 1 6 6 ILE CD1 C 13 11.000 0.2 . . . . . . A 8 ILE CD1 . 26021 1 56 . 1 1 6 6 ILE N N 15 117.376 0.1 . . . . . . A 8 ILE N . 26021 1 57 . 1 1 7 7 ALA H H 1 8.062 0.01 . . . . . . A 9 ALA H . 26021 1 58 . 1 1 7 7 ALA HA H 1 3.933 0.01 . . . . . . A 9 ALA HA . 26021 1 59 . 1 1 7 7 ALA HB1 H 1 1.462 0.01 . . . . . . A 9 ALA HB1 . 26021 1 60 . 1 1 7 7 ALA HB2 H 1 1.462 0.01 . . . . . . A 9 ALA HB2 . 26021 1 61 . 1 1 7 7 ALA HB3 H 1 1.462 0.01 . . . . . . A 9 ALA HB3 . 26021 1 62 . 1 1 7 7 ALA C C 13 180.515 0.2 . . . . . . A 9 ALA C . 26021 1 63 . 1 1 7 7 ALA CA C 13 55.098 0.2 . . . . . . A 9 ALA CA . 26021 1 64 . 1 1 7 7 ALA CB C 13 18.161 0.2 . . . . . . A 9 ALA CB . 26021 1 65 . 1 1 7 7 ALA N N 15 121.414 0.1 . . . . . . A 9 ALA N . 26021 1 66 . 1 1 8 8 LYS H H 1 7.554 0.01 . . . . . . A 10 LYS H . 26021 1 67 . 1 1 8 8 LYS HA H 1 4.164 0.01 . . . . . . A 10 LYS HA . 26021 1 68 . 1 1 8 8 LYS HB2 H 1 2.009 0.01 . . . . . . A 10 LYS HB2 . 26021 1 69 . 1 1 8 8 LYS HB3 H 1 1.874 0.01 . . . . . . A 10 LYS HB3 . 26021 1 70 . 1 1 8 8 LYS HD2 H 1 1.726 0.01 . . . . . . A 10 LYS HD2 . 26021 1 71 . 1 1 8 8 LYS HD3 H 1 1.678 0.01 . . . . . . A 10 LYS HD3 . 26021 1 72 . 1 1 8 8 LYS HE2 H 1 2.914 0.01 . . . . . . A 10 LYS HE2 . 26021 1 73 . 1 1 8 8 LYS C C 13 178.099 0.2 . . . . . . A 10 LYS C . 26021 1 74 . 1 1 8 8 LYS CA C 13 57.840 0.2 . . . . . . A 10 LYS CA . 26021 1 75 . 1 1 8 8 LYS CB C 13 32.469 0.2 . . . . . . A 10 LYS CB . 26021 1 76 . 1 1 8 8 LYS CD C 13 29.256 0.2 . . . . . . A 10 LYS CD . 26021 1 77 . 1 1 8 8 LYS N N 15 114.594 0.1 . . . . . . A 10 LYS N . 26021 1 78 . 1 1 9 9 LEU H H 1 7.814 0.01 . . . . . . A 11 LEU H . 26021 1 79 . 1 1 9 9 LEU HA H 1 4.078 0.01 . . . . . . A 11 LEU HA . 26021 1 80 . 1 1 9 9 LEU HB2 H 1 1.990 0.01 . . . . . . A 11 LEU HB2 . 26021 1 81 . 1 1 9 9 LEU HB3 H 1 1.428 0.01 . . . . . . A 11 LEU HB3 . 26021 1 82 . 1 1 9 9 LEU HG H 1 1.817 0.01 . . . . . . A 11 LEU HG . 26021 1 83 . 1 1 9 9 LEU HD11 H 1 0.930 0.01 . . . . . . A 11 LEU HD11 . 26021 1 84 . 1 1 9 9 LEU HD12 H 1 0.930 0.01 . . . . . . A 11 LEU HD12 . 26021 1 85 . 1 1 9 9 LEU HD13 H 1 0.930 0.01 . . . . . . A 11 LEU HD13 . 26021 1 86 . 1 1 9 9 LEU HD21 H 1 0.868 0.01 . . . . . . A 11 LEU HD21 . 26021 1 87 . 1 1 9 9 LEU HD22 H 1 0.868 0.01 . . . . . . A 11 LEU HD22 . 26021 1 88 . 1 1 9 9 LEU HD23 H 1 0.868 0.01 . . . . . . A 11 LEU HD23 . 26021 1 89 . 1 1 9 9 LEU C C 13 177.930 0.2 . . . . . . A 11 LEU C . 26021 1 90 . 1 1 9 9 LEU CA C 13 56.556 0.2 . . . . . . A 11 LEU CA . 26021 1 91 . 1 1 9 9 LEU CB C 13 43.088 0.2 . . . . . . A 11 LEU CB . 26021 1 92 . 1 1 9 9 LEU CG C 13 26.671 0.2 . . . . . . A 11 LEU CG . 26021 1 93 . 1 1 9 9 LEU CD1 C 13 25.101 0.2 . . . . . . A 11 LEU CD1 . 26021 1 94 . 1 1 9 9 LEU CD2 C 13 23.533 0.2 . . . . . . A 11 LEU CD2 . 26021 1 95 . 1 1 9 9 LEU N N 15 119.662 0.1 . . . . . . A 11 LEU N . 26021 1 96 . 1 1 10 10 ILE H H 1 7.426 0.01 . . . . . . A 12 ILE H . 26021 1 97 . 1 1 10 10 ILE HA H 1 3.692 0.01 . . . . . . A 12 ILE HA . 26021 1 98 . 1 1 10 10 ILE HB H 1 2.016 0.01 . . . . . . A 12 ILE HB . 26021 1 99 . 1 1 10 10 ILE HG21 H 1 0.903 0.01 . . . . . . A 12 ILE HG21 . 26021 1 100 . 1 1 10 10 ILE HG22 H 1 0.903 0.01 . . . . . . A 12 ILE HG22 . 26021 1 101 . 1 1 10 10 ILE HG23 H 1 0.903 0.01 . . . . . . A 12 ILE HG23 . 26021 1 102 . 1 1 10 10 ILE HD11 H 1 0.803 0.01 . . . . . . A 12 ILE HD11 . 26021 1 103 . 1 1 10 10 ILE HD12 H 1 0.803 0.01 . . . . . . A 12 ILE HD12 . 26021 1 104 . 1 1 10 10 ILE HD13 H 1 0.803 0.01 . . . . . . A 12 ILE HD13 . 26021 1 105 . 1 1 10 10 ILE CA C 13 67.629 0.2 . . . . . . A 12 ILE CA . 26021 1 106 . 1 1 10 10 ILE CB C 13 36.410 0.2 . . . . . . A 12 ILE CB . 26021 1 107 . 1 1 10 10 ILE CG2 C 13 16.598 0.2 . . . . . . A 12 ILE CG2 . 26021 1 108 . 1 1 10 10 ILE CD1 C 13 13.851 0.2 . . . . . . A 12 ILE CD1 . 26021 1 109 . 1 1 10 10 ILE N N 15 117.945 0.1 . . . . . . A 12 ILE N . 26021 1 110 . 1 1 11 11 PRO HA H 1 4.403 0.01 . . . . . . A 13 PRO HA . 26021 1 111 . 1 1 11 11 PRO HB2 H 1 1.912 0.01 . . . . . . A 13 PRO HB2 . 26021 1 112 . 1 1 11 11 PRO HB3 H 1 2.336 0.01 . . . . . . A 13 PRO HB3 . 26021 1 113 . 1 1 11 11 PRO HG2 H 1 2.094 0.01 . . . . . . A 13 PRO HG2 . 26021 1 114 . 1 1 11 11 PRO HG3 H 1 2.009 0.01 . . . . . . A 13 PRO HG3 . 26021 1 115 . 1 1 11 11 PRO HD2 H 1 3.870 0.01 . . . . . . A 13 PRO HD2 . 26021 1 116 . 1 1 11 11 PRO HD3 H 1 3.546 0.01 . . . . . . A 13 PRO HD3 . 26021 1 117 . 1 1 11 11 PRO C C 13 179.030 0.2 . . . . . . A 13 PRO C . 26021 1 118 . 1 1 11 11 PRO CA C 13 65.244 0.2 . . . . . . A 13 PRO CA . 26021 1 119 . 1 1 11 11 PRO CB C 13 30.809 0.2 . . . . . . A 13 PRO CB . 26021 1 120 . 1 1 11 11 PRO CG C 13 27.978 0.2 . . . . . . A 13 PRO CG . 26021 1 121 . 1 1 11 11 PRO CD C 13 50.193 0.2 . . . . . . A 13 PRO CD . 26021 1 122 . 1 1 12 12 LYS H H 1 6.685 0.01 . . . . . . A 14 LYS H . 26021 1 123 . 1 1 12 12 LYS HA H 1 4.145 0.01 . . . . . . A 14 LYS HA . 26021 1 124 . 1 1 12 12 LYS HB2 H 1 1.848 0.01 . . . . . . A 14 LYS HB2 . 26021 1 125 . 1 1 12 12 LYS HB3 H 1 1.960 0.01 . . . . . . A 14 LYS HB3 . 26021 1 126 . 1 1 12 12 LYS HG2 H 1 1.667 0.01 . . . . . . A 14 LYS HG2 . 26021 1 127 . 1 1 12 12 LYS HG3 H 1 1.388 0.01 . . . . . . A 14 LYS HG3 . 26021 1 128 . 1 1 12 12 LYS HD2 H 1 1.736 0.01 . . . . . . A 14 LYS HD2 . 26021 1 129 . 1 1 12 12 LYS HD3 H 1 1.590 0.01 . . . . . . A 14 LYS HD3 . 26021 1 130 . 1 1 12 12 LYS HE2 H 1 2.988 0.01 . . . . . . A 14 LYS HE2 . 26021 1 131 . 1 1 12 12 LYS HE3 H 1 3.032 0.01 . . . . . . A 14 LYS HE3 . 26021 1 132 . 1 1 12 12 LYS C C 13 178.565 0.2 . . . . . . A 14 LYS C . 26021 1 133 . 1 1 12 12 LYS CA C 13 59.433 0.2 . . . . . . A 14 LYS CA . 26021 1 134 . 1 1 12 12 LYS CB C 13 32.925 0.2 . . . . . . A 14 LYS CB . 26021 1 135 . 1 1 12 12 LYS CG C 13 25.110 0.2 . . . . . . A 14 LYS CG . 26021 1 136 . 1 1 12 12 LYS CD C 13 29.544 0.2 . . . . . . A 14 LYS CD . 26021 1 137 . 1 1 12 12 LYS CE C 13 42.077 0.2 . . . . . . A 14 LYS CE . 26021 1 138 . 1 1 12 12 LYS N N 15 117.855 0.1 . . . . . . A 14 LYS N . 26021 1 139 . 1 1 13 13 LEU H H 1 8.148 0.01 . . . . . . A 15 LEU H . 26021 1 140 . 1 1 13 13 LEU HA H 1 4.003 0.01 . . . . . . A 15 LEU HA . 26021 1 141 . 1 1 13 13 LEU HB2 H 1 1.315 0.01 . . . . . . A 15 LEU HB2 . 26021 1 142 . 1 1 13 13 LEU HB3 H 1 1.826 0.01 . . . . . . A 15 LEU HB3 . 26021 1 143 . 1 1 13 13 LEU HG H 1 1.639 0.01 . . . . . . A 15 LEU HG . 26021 1 144 . 1 1 13 13 LEU HD11 H 1 0.728 0.01 . . . . . . A 15 LEU HD11 . 26021 1 145 . 1 1 13 13 LEU HD12 H 1 0.728 0.01 . . . . . . A 15 LEU HD12 . 26021 1 146 . 1 1 13 13 LEU HD13 H 1 0.728 0.01 . . . . . . A 15 LEU HD13 . 26021 1 147 . 1 1 13 13 LEU HD21 H 1 0.711 0.01 . . . . . . A 15 LEU HD21 . 26021 1 148 . 1 1 13 13 LEU HD22 H 1 0.711 0.01 . . . . . . A 15 LEU HD22 . 26021 1 149 . 1 1 13 13 LEU HD23 H 1 0.711 0.01 . . . . . . A 15 LEU HD23 . 26021 1 150 . 1 1 13 13 LEU C C 13 178.662 0.2 . . . . . . A 15 LEU C . 26021 1 151 . 1 1 13 13 LEU CA C 13 57.712 0.2 . . . . . . A 15 LEU CA . 26021 1 152 . 1 1 13 13 LEU CB C 13 41.999 0.2 . . . . . . A 15 LEU CB . 26021 1 153 . 1 1 13 13 LEU CG C 13 27.707 0.2 . . . . . . A 15 LEU CG . 26021 1 154 . 1 1 13 13 LEU CD1 C 13 26.496 0.2 . . . . . . A 15 LEU CD1 . 26021 1 155 . 1 1 13 13 LEU CD2 C 13 24.659 0.2 . . . . . . A 15 LEU CD2 . 26021 1 156 . 1 1 13 13 LEU N N 15 118.008 0.1 . . . . . . A 15 LEU N . 26021 1 157 . 1 1 14 14 GLY H H 1 8.104 0.01 . . . . . . A 16 GLY H . 26021 1 158 . 1 1 14 14 GLY HA2 H 1 3.616 0.01 . . . . . . A 16 GLY HA2 . 26021 1 159 . 1 1 14 14 GLY HA3 H 1 3.911 0.01 . . . . . . A 16 GLY HA3 . 26021 1 160 . 1 1 14 14 GLY C C 13 176.838 0.2 . . . . . . A 16 GLY C . 26021 1 161 . 1 1 14 14 GLY CA C 13 47.365 0.2 . . . . . . A 16 GLY CA . 26021 1 162 . 1 1 14 14 GLY N N 15 103.895 0.1 . . . . . . A 16 GLY N . 26021 1 163 . 1 1 15 15 GLU H H 1 7.817 0.01 . . . . . . A 17 GLU H . 26021 1 164 . 1 1 15 15 GLU HA H 1 4.133 0.01 . . . . . . A 17 GLU HA . 26021 1 165 . 1 1 15 15 GLU HB2 H 1 2.152 0.01 . . . . . . A 17 GLU HB2 . 26021 1 166 . 1 1 15 15 GLU HB3 H 1 2.197 0.01 . . . . . . A 17 GLU HB3 . 26021 1 167 . 1 1 15 15 GLU HG2 H 1 2.402 0.01 . . . . . . A 17 GLU HG2 . 26021 1 168 . 1 1 15 15 GLU HG3 H 1 2.459 0.01 . . . . . . A 17 GLU HG3 . 26021 1 169 . 1 1 15 15 GLU C C 13 179.007 0.2 . . . . . . A 17 GLU C . 26021 1 170 . 1 1 15 15 GLU CA C 13 58.811 0.2 . . . . . . A 17 GLU CA . 26021 1 171 . 1 1 15 15 GLU CB C 13 29.133 0.2 . . . . . . A 17 GLU CB . 26021 1 172 . 1 1 15 15 GLU CG C 13 36.009 0.2 . . . . . . A 17 GLU CG . 26021 1 173 . 1 1 15 15 GLU N N 15 121.655 0.1 . . . . . . A 17 GLU N . 26021 1 174 . 1 1 16 16 LEU H H 1 7.389 0.01 . . . . . . A 18 LEU H . 26021 1 175 . 1 1 16 16 LEU HA H 1 4.118 0.01 . . . . . . A 18 LEU HA . 26021 1 176 . 1 1 16 16 LEU HB2 H 1 1.410 0.01 . . . . . . A 18 LEU HB2 . 26021 1 177 . 1 1 16 16 LEU HB3 H 1 1.972 0.01 . . . . . . A 18 LEU HB3 . 26021 1 178 . 1 1 16 16 LEU HG H 1 1.834 0.01 . . . . . . A 18 LEU HG . 26021 1 179 . 1 1 16 16 LEU HD11 H 1 0.614 0.01 . . . . . . A 18 LEU HD11 . 26021 1 180 . 1 1 16 16 LEU HD12 H 1 0.614 0.01 . . . . . . A 18 LEU HD12 . 26021 1 181 . 1 1 16 16 LEU HD13 H 1 0.614 0.01 . . . . . . A 18 LEU HD13 . 26021 1 182 . 1 1 16 16 LEU HD21 H 1 0.786 0.01 . . . . . . A 18 LEU HD21 . 26021 1 183 . 1 1 16 16 LEU HD22 H 1 0.786 0.01 . . . . . . A 18 LEU HD22 . 26021 1 184 . 1 1 16 16 LEU HD23 H 1 0.786 0.01 . . . . . . A 18 LEU HD23 . 26021 1 185 . 1 1 16 16 LEU C C 13 177.658 0.2 . . . . . . A 18 LEU C . 26021 1 186 . 1 1 16 16 LEU CA C 13 57.029 0.2 . . . . . . A 18 LEU CA . 26021 1 187 . 1 1 16 16 LEU CB C 13 41.670 0.2 . . . . . . A 18 LEU CB . 26021 1 188 . 1 1 16 16 LEU CG C 13 27.051 0.2 . . . . . . A 18 LEU CG . 26021 1 189 . 1 1 16 16 LEU CD1 C 13 23.614 0.2 . . . . . . A 18 LEU CD1 . 26021 1 190 . 1 1 16 16 LEU CD2 C 13 25.905 0.2 . . . . . . A 18 LEU CD2 . 26021 1 191 . 1 1 16 16 LEU N N 15 117.834 0.1 . . . . . . A 18 LEU N . 26021 1 192 . 1 1 17 17 LEU H H 1 7.269 0.01 . . . . . . A 19 LEU H . 26021 1 193 . 1 1 17 17 LEU HA H 1 4.162 0.01 . . . . . . A 19 LEU HA . 26021 1 194 . 1 1 17 17 LEU HB2 H 1 1.916 0.01 . . . . . . A 19 LEU HB2 . 26021 1 195 . 1 1 17 17 LEU HB3 H 1 1.632 0.01 . . . . . . A 19 LEU HB3 . 26021 1 196 . 1 1 17 17 LEU HG H 1 1.743 0.01 . . . . . . A 19 LEU HG . 26021 1 197 . 1 1 17 17 LEU HD11 H 1 0.863 0.01 . . . . . . A 19 LEU HD11 . 26021 1 198 . 1 1 17 17 LEU HD12 H 1 0.863 0.01 . . . . . . A 19 LEU HD12 . 26021 1 199 . 1 1 17 17 LEU HD13 H 1 0.863 0.01 . . . . . . A 19 LEU HD13 . 26021 1 200 . 1 1 17 17 LEU HD21 H 1 0.813 0.01 . . . . . . A 19 LEU HD21 . 26021 1 201 . 1 1 17 17 LEU HD22 H 1 0.813 0.01 . . . . . . A 19 LEU HD22 . 26021 1 202 . 1 1 17 17 LEU HD23 H 1 0.813 0.01 . . . . . . A 19 LEU HD23 . 26021 1 203 . 1 1 17 17 LEU C C 13 178.123 0.2 . . . . . . A 19 LEU C . 26021 1 204 . 1 1 17 17 LEU CA C 13 55.852 0.2 . . . . . . A 19 LEU CA . 26021 1 205 . 1 1 17 17 LEU CB C 13 42.220 0.2 . . . . . . A 19 LEU CB . 26021 1 206 . 1 1 17 17 LEU CG C 13 26.483 0.2 . . . . . . A 19 LEU CG . 26021 1 207 . 1 1 17 17 LEU CD1 C 13 26.119 0.2 . . . . . . A 19 LEU CD1 . 26021 1 208 . 1 1 17 17 LEU CD2 C 13 23.171 0.2 . . . . . . A 19 LEU CD2 . 26021 1 209 . 1 1 17 17 LEU N N 15 113.694 0.1 . . . . . . A 19 LEU N . 26021 1 210 . 1 1 18 18 VAL H H 1 7.356 0.01 . . . . . . A 20 VAL H . 26021 1 211 . 1 1 18 18 VAL HA H 1 4.443 0.01 . . . . . . A 20 VAL HA . 26021 1 212 . 1 1 18 18 VAL HB H 1 2.314 0.01 . . . . . . A 20 VAL HB . 26021 1 213 . 1 1 18 18 VAL HG11 H 1 0.976 0.01 . . . . . . A 20 VAL HG11 . 26021 1 214 . 1 1 18 18 VAL HG12 H 1 0.976 0.01 . . . . . . A 20 VAL HG12 . 26021 1 215 . 1 1 18 18 VAL HG13 H 1 0.976 0.01 . . . . . . A 20 VAL HG13 . 26021 1 216 . 1 1 18 18 VAL HG21 H 1 0.937 0.01 . . . . . . A 20 VAL HG21 . 26021 1 217 . 1 1 18 18 VAL HG22 H 1 0.937 0.01 . . . . . . A 20 VAL HG22 . 26021 1 218 . 1 1 18 18 VAL HG23 H 1 0.937 0.01 . . . . . . A 20 VAL HG23 . 26021 1 219 . 1 1 18 18 VAL C C 13 177.021 0.2 . . . . . . A 20 VAL C . 26021 1 220 . 1 1 18 18 VAL CA C 13 61.855 0.2 . . . . . . A 20 VAL CA . 26021 1 221 . 1 1 18 18 VAL CB C 13 32.778 0.2 . . . . . . A 20 VAL CB . 26021 1 222 . 1 1 18 18 VAL CG1 C 13 19.686 0.2 . . . . . . A 20 VAL CG1 . 26021 1 223 . 1 1 18 18 VAL CG2 C 13 21.314 0.2 . . . . . . A 20 VAL CG2 . 26021 1 224 . 1 1 18 18 VAL N N 15 112.778 0.1 . . . . . . A 20 VAL N . 26021 1 225 . 1 1 19 19 GLY H H 1 7.925 0.01 . . . . . . A 21 GLY H . 26021 1 226 . 1 1 19 19 GLY HA2 H 1 4.169 0.01 . . . . . . A 21 GLY HA2 . 26021 1 227 . 1 1 19 19 GLY HA3 H 1 3.807 0.01 . . . . . . A 21 GLY HA3 . 26021 1 228 . 1 1 19 19 GLY C C 13 173.813 0.2 . . . . . . A 21 GLY C . 26021 1 229 . 1 1 19 19 GLY CA C 13 45.046 0.2 . . . . . . A 21 GLY CA . 26021 1 230 . 1 1 19 19 GLY N N 15 108.962 0.1 . . . . . . A 21 GLY N . 26021 1 231 . 1 1 20 20 GLU H H 1 8.300 0.01 . . . . . . A 22 GLU H . 26021 1 232 . 1 1 20 20 GLU HA H 1 4.278 0.01 . . . . . . A 22 GLU HA . 26021 1 233 . 1 1 20 20 GLU HB2 H 1 1.940 0.01 . . . . . . A 22 GLU HB2 . 26021 1 234 . 1 1 20 20 GLU HB3 H 1 1.748 0.01 . . . . . . A 22 GLU HB3 . 26021 1 235 . 1 1 20 20 GLU HG2 H 1 2.131 0.01 . . . . . . A 22 GLU HG2 . 26021 1 236 . 1 1 20 20 GLU HG3 H 1 2.131 0.01 . . . . . . A 22 GLU HG3 . 26021 1 237 . 1 1 20 20 GLU C C 13 175.869 0.2 . . . . . . A 22 GLU C . 26021 1 238 . 1 1 20 20 GLU CA C 13 56.030 0.2 . . . . . . A 22 GLU CA . 26021 1 239 . 1 1 20 20 GLU CB C 13 28.681 0.2 . . . . . . A 22 GLU CB . 26021 1 240 . 1 1 20 20 GLU CG C 13 36.122 0.2 . . . . . . A 22 GLU CG . 26021 1 241 . 1 1 20 20 GLU N N 15 120.607 0.1 . . . . . . A 22 GLU N . 26021 1 242 . 1 1 21 21 TYR H H 1 7.756 0.01 . . . . . . A 23 TYR H . 26021 1 243 . 1 1 21 21 TYR HA H 1 4.557 0.01 . . . . . . A 23 TYR HA . 26021 1 244 . 1 1 21 21 TYR HB2 H 1 3.122 0.01 . . . . . . A 23 TYR HB2 . 26021 1 245 . 1 1 21 21 TYR HB3 H 1 2.749 0.01 . . . . . . A 23 TYR HB3 . 26021 1 246 . 1 1 21 21 TYR HD1 H 1 7.113 0.01 . . . . . . A 23 TYR HD1 . 26021 1 247 . 1 1 21 21 TYR HD2 H 1 7.113 0.01 . . . . . . A 23 TYR HD2 . 26021 1 248 . 1 1 21 21 TYR HE1 H 1 6.818 0.01 . . . . . . A 23 TYR HE1 . 26021 1 249 . 1 1 21 21 TYR HE2 H 1 6.818 0.01 . . . . . . A 23 TYR HE2 . 26021 1 250 . 1 1 21 21 TYR C C 13 175.264 0.2 . . . . . . A 23 TYR C . 26021 1 251 . 1 1 21 21 TYR CA C 13 57.561 0.2 . . . . . . A 23 TYR CA . 26021 1 252 . 1 1 21 21 TYR CB C 13 39.246 0.2 . . . . . . A 23 TYR CB . 26021 1 253 . 1 1 21 21 TYR CD2 C 13 133.176 0.2 . . . . . . A 23 TYR CD2 . 26021 1 254 . 1 1 21 21 TYR CE2 C 13 118.193 0.2 . . . . . . A 23 TYR CE2 . 26021 1 255 . 1 1 21 21 TYR N N 15 120.738 0.1 . . . . . . A 23 TYR N . 26021 1 256 . 1 1 22 22 LYS H H 1 8.692 0.01 . . . . . . A 24 LYS H . 26021 1 257 . 1 1 22 22 LYS HA H 1 4.183 0.01 . . . . . . A 24 LYS HA . 26021 1 258 . 1 1 22 22 LYS HB2 H 1 1.824 0.01 . . . . . . A 24 LYS HB2 . 26021 1 259 . 1 1 22 22 LYS HB3 H 1 1.824 0.01 . . . . . . A 24 LYS HB3 . 26021 1 260 . 1 1 22 22 LYS HG2 H 1 1.380 0.01 . . . . . . A 24 LYS HG2 . 26021 1 261 . 1 1 22 22 LYS HG3 H 1 1.380 0.01 . . . . . . A 24 LYS HG3 . 26021 1 262 . 1 1 22 22 LYS HD2 H 1 1.670 0.01 . . . . . . A 24 LYS HD2 . 26021 1 263 . 1 1 22 22 LYS HD3 H 1 1.670 0.01 . . . . . . A 24 LYS HD3 . 26021 1 264 . 1 1 22 22 LYS HE2 H 1 2.968 0.01 . . . . . . A 24 LYS HE2 . 26021 1 265 . 1 1 22 22 LYS HE3 H 1 2.968 0.01 . . . . . . A 24 LYS HE3 . 26021 1 266 . 1 1 22 22 LYS C C 13 175.742 0.2 . . . . . . A 24 LYS C . 26021 1 267 . 1 1 22 22 LYS CA C 13 56.118 0.2 . . . . . . A 24 LYS CA . 26021 1 268 . 1 1 22 22 LYS CB C 13 30.719 0.2 . . . . . . A 24 LYS CB . 26021 1 269 . 1 1 22 22 LYS CG C 13 24.611 0.2 . . . . . . A 24 LYS CG . 26021 1 270 . 1 1 22 22 LYS CD C 13 28.967 0.2 . . . . . . A 24 LYS CD . 26021 1 271 . 1 1 22 22 LYS CE C 13 41.743 0.2 . . . . . . A 24 LYS CE . 26021 1 272 . 1 1 22 22 LYS N N 15 122.095 0.1 . . . . . . A 24 LYS N . 26021 1 273 . 1 1 23 23 LEU H H 1 8.088 0.01 . . . . . . A 25 LEU H . 26021 1 274 . 1 1 23 23 LEU HA H 1 4.492 0.01 . . . . . . A 25 LEU HA . 26021 1 275 . 1 1 23 23 LEU HB2 H 1 1.693 0.01 . . . . . . A 25 LEU HB2 . 26021 1 276 . 1 1 23 23 LEU HB3 H 1 1.375 0.01 . . . . . . A 25 LEU HB3 . 26021 1 277 . 1 1 23 23 LEU HG H 1 1.743 0.01 . . . . . . A 25 LEU HG . 26021 1 278 . 1 1 23 23 LEU HD11 H 1 0.946 0.01 . . . . . . A 25 LEU HD11 . 26021 1 279 . 1 1 23 23 LEU HD12 H 1 0.946 0.01 . . . . . . A 25 LEU HD12 . 26021 1 280 . 1 1 23 23 LEU HD13 H 1 0.946 0.01 . . . . . . A 25 LEU HD13 . 26021 1 281 . 1 1 23 23 LEU HD21 H 1 0.908 0.01 . . . . . . A 25 LEU HD21 . 26021 1 282 . 1 1 23 23 LEU HD22 H 1 0.908 0.01 . . . . . . A 25 LEU HD22 . 26021 1 283 . 1 1 23 23 LEU HD23 H 1 0.908 0.01 . . . . . . A 25 LEU HD23 . 26021 1 284 . 1 1 23 23 LEU C C 13 177.487 0.2 . . . . . . A 25 LEU C . 26021 1 285 . 1 1 23 23 LEU CA C 13 54.334 0.2 . . . . . . A 25 LEU CA . 26021 1 286 . 1 1 23 23 LEU CB C 13 43.758 0.2 . . . . . . A 25 LEU CB . 26021 1 287 . 1 1 23 23 LEU CG C 13 26.728 0.2 . . . . . . A 25 LEU CG . 26021 1 288 . 1 1 23 23 LEU CD1 C 13 25.642 0.2 . . . . . . A 25 LEU CD1 . 26021 1 289 . 1 1 23 23 LEU CD2 C 13 23.286 0.2 . . . . . . A 25 LEU CD2 . 26021 1 290 . 1 1 23 23 LEU N N 15 121.123 0.1 . . . . . . A 25 LEU N . 26021 1 291 . 1 1 24 24 HIS H H 1 8.882 0.01 . . . . . . A 26 HIS H . 26021 1 292 . 1 1 24 24 HIS HA H 1 4.501 0.01 . . . . . . A 26 HIS HA . 26021 1 293 . 1 1 24 24 HIS HB2 H 1 3.264 0.01 . . . . . . A 26 HIS HB2 . 26021 1 294 . 1 1 24 24 HIS HB3 H 1 3.180 0.01 . . . . . . A 26 HIS HB3 . 26021 1 295 . 1 1 24 24 HIS HD2 H 1 7.287 0.01 . . . . . . A 26 HIS HD2 . 26021 1 296 . 1 1 24 24 HIS HE1 H 1 8.120 0.01 . . . . . . A 26 HIS HE1 . 26021 1 297 . 1 1 24 24 HIS C C 13 176.716 0.2 . . . . . . A 26 HIS C . 26021 1 298 . 1 1 24 24 HIS CA C 13 57.197 0.2 . . . . . . A 26 HIS CA . 26021 1 299 . 1 1 24 24 HIS CB C 13 31.357 0.2 . . . . . . A 26 HIS CB . 26021 1 300 . 1 1 24 24 HIS CD2 C 13 119.356 0.2 . . . . . . A 26 HIS CD2 . 26021 1 301 . 1 1 24 24 HIS CE1 C 13 137.529 0.2 . . . . . . A 26 HIS CE1 . 26021 1 302 . 1 1 24 24 HIS N N 15 122.993 0.1 . . . . . . A 26 HIS N . 26021 1 303 . 1 1 25 25 LYS H H 1 8.699 0.01 . . . . . . A 27 LYS H . 26021 1 304 . 1 1 25 25 LYS HA H 1 3.948 0.01 . . . . . . A 27 LYS HA . 26021 1 305 . 1 1 25 25 LYS HB2 H 1 1.792 0.01 . . . . . . A 27 LYS HB2 . 26021 1 306 . 1 1 25 25 LYS HB3 H 1 1.792 0.01 . . . . . . A 27 LYS HB3 . 26021 1 307 . 1 1 25 25 LYS HG2 H 1 1.510 0.01 . . . . . . A 27 LYS HG2 . 26021 1 308 . 1 1 25 25 LYS HG3 H 1 1.384 0.01 . . . . . . A 27 LYS HG3 . 26021 1 309 . 1 1 25 25 LYS HD2 H 1 1.690 0.01 . . . . . . A 27 LYS HD2 . 26021 1 310 . 1 1 25 25 LYS HD3 H 1 1.631 0.01 . . . . . . A 27 LYS HD3 . 26021 1 311 . 1 1 25 25 LYS HE2 H 1 3.031 0.01 . . . . . . A 27 LYS HE2 . 26021 1 312 . 1 1 25 25 LYS HE3 H 1 2.974 0.01 . . . . . . A 27 LYS HE3 . 26021 1 313 . 1 1 25 25 LYS C C 13 178.873 0.2 . . . . . . A 27 LYS C . 26021 1 314 . 1 1 25 25 LYS CA C 13 60.011 0.2 . . . . . . A 27 LYS CA . 26021 1 315 . 1 1 25 25 LYS CB C 13 32.442 0.2 . . . . . . A 27 LYS CB . 26021 1 316 . 1 1 25 25 LYS CG C 13 24.705 0.2 . . . . . . A 27 LYS CG . 26021 1 317 . 1 1 25 25 LYS CD C 13 28.989 0.2 . . . . . . A 27 LYS CD . 26021 1 318 . 1 1 25 25 LYS CE C 13 42.519 0.2 . . . . . . A 27 LYS CE . 26021 1 319 . 1 1 25 25 LYS N N 15 124.894 0.1 . . . . . . A 27 LYS N . 26021 1 320 . 1 1 26 26 GLY H H 1 9.814 0.01 . . . . . . A 28 GLY H . 26021 1 321 . 1 1 26 26 GLY HA2 H 1 4.065 0.01 . . . . . . A 28 GLY HA2 . 26021 1 322 . 1 1 26 26 GLY HA3 H 1 3.927 0.01 . . . . . . A 28 GLY HA3 . 26021 1 323 . 1 1 26 26 GLY C C 13 176.131 0.2 . . . . . . A 28 GLY C . 26021 1 324 . 1 1 26 26 GLY CA C 13 46.490 0.2 . . . . . . A 28 GLY CA . 26021 1 325 . 1 1 26 26 GLY N N 15 111.258 0.1 . . . . . . A 28 GLY N . 26021 1 326 . 1 1 27 27 VAL H H 1 7.431 0.01 . . . . . . A 29 VAL H . 26021 1 327 . 1 1 27 27 VAL HA H 1 3.892 0.01 . . . . . . A 29 VAL HA . 26021 1 328 . 1 1 27 27 VAL HB H 1 2.281 0.01 . . . . . . A 29 VAL HB . 26021 1 329 . 1 1 27 27 VAL HG11 H 1 1.034 0.01 . . . . . . A 29 VAL HG11 . 26021 1 330 . 1 1 27 27 VAL HG12 H 1 1.034 0.01 . . . . . . A 29 VAL HG12 . 26021 1 331 . 1 1 27 27 VAL HG13 H 1 1.034 0.01 . . . . . . A 29 VAL HG13 . 26021 1 332 . 1 1 27 27 VAL HG21 H 1 1.143 0.01 . . . . . . A 29 VAL HG21 . 26021 1 333 . 1 1 27 27 VAL HG22 H 1 1.143 0.01 . . . . . . A 29 VAL HG22 . 26021 1 334 . 1 1 27 27 VAL HG23 H 1 1.143 0.01 . . . . . . A 29 VAL HG23 . 26021 1 335 . 1 1 27 27 VAL C C 13 177.628 0.2 . . . . . . A 29 VAL C . 26021 1 336 . 1 1 27 27 VAL CA C 13 65.520 0.2 . . . . . . A 29 VAL CA . 26021 1 337 . 1 1 27 27 VAL CB C 13 31.742 0.2 . . . . . . A 29 VAL CB . 26021 1 338 . 1 1 27 27 VAL CG1 C 13 21.772 0.2 . . . . . . A 29 VAL CG1 . 26021 1 339 . 1 1 27 27 VAL CG2 C 13 23.028 0.2 . . . . . . A 29 VAL CG2 . 26021 1 340 . 1 1 27 27 VAL N N 15 122.719 0.1 . . . . . . A 29 VAL N . 26021 1 341 . 1 1 28 28 LYS H H 1 8.255 0.01 . . . . . . A 30 LYS H . 26021 1 342 . 1 1 28 28 LYS HA H 1 3.635 0.01 . . . . . . A 30 LYS HA . 26021 1 343 . 1 1 28 28 LYS HB2 H 1 1.848 0.01 . . . . . . A 30 LYS HB2 . 26021 1 344 . 1 1 28 28 LYS HB3 H 1 1.750 0.01 . . . . . . A 30 LYS HB3 . 26021 1 345 . 1 1 28 28 LYS HG2 H 1 1.377 0.01 . . . . . . A 30 LYS HG2 . 26021 1 346 . 1 1 28 28 LYS HG3 H 1 1.252 0.01 . . . . . . A 30 LYS HG3 . 26021 1 347 . 1 1 28 28 LYS HE2 H 1 3.046 0.01 . . . . . . A 30 LYS HE2 . 26021 1 348 . 1 1 28 28 LYS HE3 H 1 3.046 0.01 . . . . . . A 30 LYS HE3 . 26021 1 349 . 1 1 28 28 LYS C C 13 177.666 0.2 . . . . . . A 30 LYS C . 26021 1 350 . 1 1 28 28 LYS CA C 13 61.024 0.2 . . . . . . A 30 LYS CA . 26021 1 351 . 1 1 28 28 LYS CB C 13 32.405 0.2 . . . . . . A 30 LYS CB . 26021 1 352 . 1 1 28 28 LYS CG C 13 26.035 0.2 . . . . . . A 30 LYS CG . 26021 1 353 . 1 1 28 28 LYS N N 15 119.791 0.1 . . . . . . A 30 LYS N . 26021 1 354 . 1 1 29 29 LYS H H 1 7.689 0.01 . . . . . . A 31 LYS H . 26021 1 355 . 1 1 29 29 LYS HA H 1 4.116 0.01 . . . . . . A 31 LYS HA . 26021 1 356 . 1 1 29 29 LYS HB2 H 1 1.972 0.01 . . . . . . A 31 LYS HB2 . 26021 1 357 . 1 1 29 29 LYS HB3 H 1 1.913 0.01 . . . . . . A 31 LYS HB3 . 26021 1 358 . 1 1 29 29 LYS HG2 H 1 1.503 0.01 . . . . . . A 31 LYS HG2 . 26021 1 359 . 1 1 29 29 LYS HG3 H 1 1.418 0.01 . . . . . . A 31 LYS HG3 . 26021 1 360 . 1 1 29 29 LYS HD2 H 1 1.757 0.01 . . . . . . A 31 LYS HD2 . 26021 1 361 . 1 1 29 29 LYS HD3 H 1 1.671 0.01 . . . . . . A 31 LYS HD3 . 26021 1 362 . 1 1 29 29 LYS HE2 H 1 3.037 0.01 . . . . . . A 31 LYS HE2 . 26021 1 363 . 1 1 29 29 LYS HE3 H 1 2.984 0.01 . . . . . . A 31 LYS HE3 . 26021 1 364 . 1 1 29 29 LYS C C 13 177.784 0.2 . . . . . . A 31 LYS C . 26021 1 365 . 1 1 29 29 LYS CA C 13 58.703 0.2 . . . . . . A 31 LYS CA . 26021 1 366 . 1 1 29 29 LYS CB C 13 31.845 0.2 . . . . . . A 31 LYS CB . 26021 1 367 . 1 1 29 29 LYS CG C 13 24.579 0.2 . . . . . . A 31 LYS CG . 26021 1 368 . 1 1 29 29 LYS CD C 13 28.349 0.2 . . . . . . A 31 LYS CD . 26021 1 369 . 1 1 29 29 LYS CE C 13 42.294 0.2 . . . . . . A 31 LYS CE . 26021 1 370 . 1 1 29 29 LYS N N 15 117.918 0.1 . . . . . . A 31 LYS N . 26021 1 371 . 1 1 30 30 ASN H H 1 7.556 0.01 . . . . . . A 32 ASN H . 26021 1 372 . 1 1 30 30 ASN HA H 1 4.520 0.01 . . . . . . A 32 ASN HA . 26021 1 373 . 1 1 30 30 ASN HB2 H 1 3.009 0.01 . . . . . . A 32 ASN HB2 . 26021 1 374 . 1 1 30 30 ASN HB3 H 1 2.622 0.01 . . . . . . A 32 ASN HB3 . 26021 1 375 . 1 1 30 30 ASN HD21 H 1 6.900 0.01 . . . . . . A 32 ASN HD21 . 26021 1 376 . 1 1 30 30 ASN HD22 H 1 7.745 0.01 . . . . . . A 32 ASN HD22 . 26021 1 377 . 1 1 30 30 ASN C C 13 177.764 0.2 . . . . . . A 32 ASN C . 26021 1 378 . 1 1 30 30 ASN CA C 13 56.315 0.2 . . . . . . A 32 ASN CA . 26021 1 379 . 1 1 30 30 ASN CB C 13 38.632 0.2 . . . . . . A 32 ASN CB . 26021 1 380 . 1 1 30 30 ASN N N 15 116.347 0.1 . . . . . . A 32 ASN N . 26021 1 381 . 1 1 30 30 ASN ND2 N 15 110.463 0.1 . . . . . . A 32 ASN ND2 . 26021 1 382 . 1 1 31 31 ILE H H 1 8.236 0.01 . . . . . . A 33 ILE H . 26021 1 383 . 1 1 31 31 ILE HA H 1 3.282 0.01 . . . . . . A 33 ILE HA . 26021 1 384 . 1 1 31 31 ILE HB H 1 1.813 0.01 . . . . . . A 33 ILE HB . 26021 1 385 . 1 1 31 31 ILE HG12 H 1 1.348 0.01 . . . . . . A 33 ILE HG12 . 26021 1 386 . 1 1 31 31 ILE HG13 H 1 1.348 0.01 . . . . . . A 33 ILE HG13 . 26021 1 387 . 1 1 31 31 ILE HG21 H 1 0.662 0.01 . . . . . . A 33 ILE HG21 . 26021 1 388 . 1 1 31 31 ILE HG22 H 1 0.662 0.01 . . . . . . A 33 ILE HG22 . 26021 1 389 . 1 1 31 31 ILE HG23 H 1 0.662 0.01 . . . . . . A 33 ILE HG23 . 26021 1 390 . 1 1 31 31 ILE HD11 H 1 0.334 0.01 . . . . . . A 33 ILE HD11 . 26021 1 391 . 1 1 31 31 ILE HD12 H 1 0.334 0.01 . . . . . . A 33 ILE HD12 . 26021 1 392 . 1 1 31 31 ILE HD13 H 1 0.334 0.01 . . . . . . A 33 ILE HD13 . 26021 1 393 . 1 1 31 31 ILE C C 13 177.074 0.2 . . . . . . A 33 ILE C . 26021 1 394 . 1 1 31 31 ILE CA C 13 65.888 0.2 . . . . . . A 33 ILE CA . 26021 1 395 . 1 1 31 31 ILE CB C 13 37.178 0.2 . . . . . . A 33 ILE CB . 26021 1 396 . 1 1 31 31 ILE CG1 C 13 28.801 0.2 . . . . . . A 33 ILE CG1 . 26021 1 397 . 1 1 31 31 ILE CG2 C 13 18.033 0.2 . . . . . . A 33 ILE CG2 . 26021 1 398 . 1 1 31 31 ILE CD1 C 13 13.889 0.2 . . . . . . A 33 ILE CD1 . 26021 1 399 . 1 1 31 31 ILE N N 15 120.592 0.1 . . . . . . A 33 ILE N . 26021 1 400 . 1 1 32 32 GLU H H 1 8.551 0.01 . . . . . . A 34 GLU H . 26021 1 401 . 1 1 32 32 GLU HA H 1 3.788 0.01 . . . . . . A 34 GLU HA . 26021 1 402 . 1 1 32 32 GLU HB2 H 1 2.276 0.01 . . . . . . A 34 GLU HB2 . 26021 1 403 . 1 1 32 32 GLU HB3 H 1 2.039 0.01 . . . . . . A 34 GLU HB3 . 26021 1 404 . 1 1 32 32 GLU HG2 H 1 2.461 0.01 . . . . . . A 34 GLU HG2 . 26021 1 405 . 1 1 32 32 GLU HG3 H 1 2.184 0.01 . . . . . . A 34 GLU HG3 . 26021 1 406 . 1 1 32 32 GLU C C 13 179.739 0.2 . . . . . . A 34 GLU C . 26021 1 407 . 1 1 32 32 GLU CA C 13 60.239 0.2 . . . . . . A 34 GLU CA . 26021 1 408 . 1 1 32 32 GLU CB C 13 29.845 0.2 . . . . . . A 34 GLU CB . 26021 1 409 . 1 1 32 32 GLU CG C 13 37.534 0.2 . . . . . . A 34 GLU CG . 26021 1 410 . 1 1 32 32 GLU N N 15 120.595 0.1 . . . . . . A 34 GLU N . 26021 1 411 . 1 1 33 33 ASP H H 1 8.670 0.01 . . . . . . A 35 ASP H . 26021 1 412 . 1 1 33 33 ASP HA H 1 4.412 0.01 . . . . . . A 35 ASP HA . 26021 1 413 . 1 1 33 33 ASP HB2 H 1 2.865 0.01 . . . . . . A 35 ASP HB2 . 26021 1 414 . 1 1 33 33 ASP HB3 H 1 2.644 0.01 . . . . . . A 35 ASP HB3 . 26021 1 415 . 1 1 33 33 ASP C C 13 178.681 0.2 . . . . . . A 35 ASP C . 26021 1 416 . 1 1 33 33 ASP CA C 13 57.462 0.2 . . . . . . A 35 ASP CA . 26021 1 417 . 1 1 33 33 ASP CB C 13 39.750 0.2 . . . . . . A 35 ASP CB . 26021 1 418 . 1 1 33 33 ASP N N 15 120.600 0.1 . . . . . . A 35 ASP N . 26021 1 419 . 1 1 34 34 LEU H H 1 8.166 0.01 . . . . . . A 36 LEU H . 26021 1 420 . 1 1 34 34 LEU HA H 1 4.095 0.01 . . . . . . A 36 LEU HA . 26021 1 421 . 1 1 34 34 LEU HB2 H 1 1.534 0.01 . . . . . . A 36 LEU HB2 . 26021 1 422 . 1 1 34 34 LEU HB3 H 1 1.912 0.01 . . . . . . A 36 LEU HB3 . 26021 1 423 . 1 1 34 34 LEU HD11 H 1 0.797 0.01 . . . . . . A 36 LEU HD11 . 26021 1 424 . 1 1 34 34 LEU HD12 H 1 0.797 0.01 . . . . . . A 36 LEU HD12 . 26021 1 425 . 1 1 34 34 LEU HD13 H 1 0.797 0.01 . . . . . . A 36 LEU HD13 . 26021 1 426 . 1 1 34 34 LEU HD21 H 1 0.797 0.01 . . . . . . A 36 LEU HD21 . 26021 1 427 . 1 1 34 34 LEU HD22 H 1 0.797 0.01 . . . . . . A 36 LEU HD22 . 26021 1 428 . 1 1 34 34 LEU HD23 H 1 0.797 0.01 . . . . . . A 36 LEU HD23 . 26021 1 429 . 1 1 34 34 LEU C C 13 178.035 0.2 . . . . . . A 36 LEU C . 26021 1 430 . 1 1 34 34 LEU CA C 13 58.028 0.2 . . . . . . A 36 LEU CA . 26021 1 431 . 1 1 34 34 LEU CB C 13 41.876 0.2 . . . . . . A 36 LEU CB . 26021 1 432 . 1 1 34 34 LEU CD1 C 13 26.324 0.2 . . . . . . A 36 LEU CD1 . 26021 1 433 . 1 1 34 34 LEU CD2 C 13 26.324 0.2 . . . . . . A 36 LEU CD2 . 26021 1 434 . 1 1 34 34 LEU N N 15 123.004 0.1 . . . . . . A 36 LEU N . 26021 1 435 . 1 1 35 35 LEU H H 1 8.736 0.01 . . . . . . A 37 LEU H . 26021 1 436 . 1 1 35 35 LEU HA H 1 3.856 0.01 . . . . . . A 37 LEU HA . 26021 1 437 . 1 1 35 35 LEU HB2 H 1 1.861 0.01 . . . . . . A 37 LEU HB2 . 26021 1 438 . 1 1 35 35 LEU HB3 H 1 1.603 0.01 . . . . . . A 37 LEU HB3 . 26021 1 439 . 1 1 35 35 LEU HG H 1 1.551 0.01 . . . . . . A 37 LEU HG . 26021 1 440 . 1 1 35 35 LEU HD11 H 1 0.943 0.01 . . . . . . A 37 LEU HD11 . 26021 1 441 . 1 1 35 35 LEU HD12 H 1 0.943 0.01 . . . . . . A 37 LEU HD12 . 26021 1 442 . 1 1 35 35 LEU HD13 H 1 0.943 0.01 . . . . . . A 37 LEU HD13 . 26021 1 443 . 1 1 35 35 LEU HD21 H 1 0.894 0.01 . . . . . . A 37 LEU HD21 . 26021 1 444 . 1 1 35 35 LEU HD22 H 1 0.894 0.01 . . . . . . A 37 LEU HD22 . 26021 1 445 . 1 1 35 35 LEU HD23 H 1 0.894 0.01 . . . . . . A 37 LEU HD23 . 26021 1 446 . 1 1 35 35 LEU C C 13 178.128 0.2 . . . . . . A 37 LEU C . 26021 1 447 . 1 1 35 35 LEU CA C 13 58.675 0.2 . . . . . . A 37 LEU CA . 26021 1 448 . 1 1 35 35 LEU CB C 13 42.155 0.2 . . . . . . A 37 LEU CB . 26021 1 449 . 1 1 35 35 LEU CG C 13 27.534 0.2 . . . . . . A 37 LEU CG . 26021 1 450 . 1 1 35 35 LEU CD1 C 13 25.885 0.2 . . . . . . A 37 LEU CD1 . 26021 1 451 . 1 1 35 35 LEU CD2 C 13 26.170 0.2 . . . . . . A 37 LEU CD2 . 26021 1 452 . 1 1 35 35 LEU N N 15 120.178 0.1 . . . . . . A 37 LEU N . 26021 1 453 . 1 1 36 36 LYS H H 1 7.770 0.01 . . . . . . A 38 LYS H . 26021 1 454 . 1 1 36 36 LYS HA H 1 3.933 0.01 . . . . . . A 38 LYS HA . 26021 1 455 . 1 1 36 36 LYS HB2 H 1 2.036 0.01 . . . . . . A 38 LYS HB2 . 26021 1 456 . 1 1 36 36 LYS HB3 H 1 2.036 0.01 . . . . . . A 38 LYS HB3 . 26021 1 457 . 1 1 36 36 LYS HG2 H 1 1.625 0.01 . . . . . . A 38 LYS HG2 . 26021 1 458 . 1 1 36 36 LYS HG3 H 1 1.436 0.01 . . . . . . A 38 LYS HG3 . 26021 1 459 . 1 1 36 36 LYS HD2 H 1 1.742 0.01 . . . . . . A 38 LYS HD2 . 26021 1 460 . 1 1 36 36 LYS HD3 H 1 1.530 0.01 . . . . . . A 38 LYS HD3 . 26021 1 461 . 1 1 36 36 LYS C C 13 179.533 0.2 . . . . . . A 38 LYS C . 26021 1 462 . 1 1 36 36 LYS CA C 13 60.273 0.2 . . . . . . A 38 LYS CA . 26021 1 463 . 1 1 36 36 LYS CB C 13 32.277 0.2 . . . . . . A 38 LYS CB . 26021 1 464 . 1 1 36 36 LYS CG C 13 24.911 0.2 . . . . . . A 38 LYS CG . 26021 1 465 . 1 1 36 36 LYS CD C 13 29.292 0.2 . . . . . . A 38 LYS CD . 26021 1 466 . 1 1 36 36 LYS N N 15 118.110 0.1 . . . . . . A 38 LYS N . 26021 1 467 . 1 1 37 37 GLU H H 1 7.709 0.01 . . . . . . A 39 GLU H . 26021 1 468 . 1 1 37 37 GLU HA H 1 4.302 0.01 . . . . . . A 39 GLU HA . 26021 1 469 . 1 1 37 37 GLU HB2 H 1 2.034 0.01 . . . . . . A 39 GLU HB2 . 26021 1 470 . 1 1 37 37 GLU HB3 H 1 2.105 0.01 . . . . . . A 39 GLU HB3 . 26021 1 471 . 1 1 37 37 GLU HG2 H 1 2.403 0.01 . . . . . . A 39 GLU HG2 . 26021 1 472 . 1 1 37 37 GLU HG3 H 1 2.303 0.01 . . . . . . A 39 GLU HG3 . 26021 1 473 . 1 1 37 37 GLU C C 13 179.720 0.2 . . . . . . A 39 GLU C . 26021 1 474 . 1 1 37 37 GLU CA C 13 58.758 0.2 . . . . . . A 39 GLU CA . 26021 1 475 . 1 1 37 37 GLU CB C 13 29.590 0.2 . . . . . . A 39 GLU CB . 26021 1 476 . 1 1 37 37 GLU CG C 13 35.224 0.2 . . . . . . A 39 GLU CG . 26021 1 477 . 1 1 37 37 GLU N N 15 119.265 0.1 . . . . . . A 39 GLU N . 26021 1 478 . 1 1 38 38 LEU H H 1 8.851 0.01 . . . . . . A 40 LEU H . 26021 1 479 . 1 1 38 38 LEU HA H 1 4.050 0.01 . . . . . . A 40 LEU HA . 26021 1 480 . 1 1 38 38 LEU HB2 H 1 1.990 0.01 . . . . . . A 40 LEU HB2 . 26021 1 481 . 1 1 38 38 LEU HB3 H 1 1.224 0.01 . . . . . . A 40 LEU HB3 . 26021 1 482 . 1 1 38 38 LEU HD11 H 1 0.753 0.01 . . . . . . A 40 LEU HD11 . 26021 1 483 . 1 1 38 38 LEU HD12 H 1 0.753 0.01 . . . . . . A 40 LEU HD12 . 26021 1 484 . 1 1 38 38 LEU HD13 H 1 0.753 0.01 . . . . . . A 40 LEU HD13 . 26021 1 485 . 1 1 38 38 LEU HD21 H 1 0.870 0.01 . . . . . . A 40 LEU HD21 . 26021 1 486 . 1 1 38 38 LEU HD22 H 1 0.870 0.01 . . . . . . A 40 LEU HD22 . 26021 1 487 . 1 1 38 38 LEU HD23 H 1 0.870 0.01 . . . . . . A 40 LEU HD23 . 26021 1 488 . 1 1 38 38 LEU C C 13 179.690 0.2 . . . . . . A 40 LEU C . 26021 1 489 . 1 1 38 38 LEU CA C 13 57.651 0.2 . . . . . . A 40 LEU CA . 26021 1 490 . 1 1 38 38 LEU CB C 13 41.685 0.2 . . . . . . A 40 LEU CB . 26021 1 491 . 1 1 38 38 LEU CD1 C 13 27.040 0.2 . . . . . . A 40 LEU CD1 . 26021 1 492 . 1 1 38 38 LEU N N 15 119.007 0.1 . . . . . . A 40 LEU N . 26021 1 493 . 1 1 39 39 LYS H H 1 8.482 0.01 . . . . . . A 41 LYS H . 26021 1 494 . 1 1 39 39 LYS HA H 1 3.952 0.01 . . . . . . A 41 LYS HA . 26021 1 495 . 1 1 39 39 LYS HB2 H 1 1.944 0.01 . . . . . . A 41 LYS HB2 . 26021 1 496 . 1 1 39 39 LYS HB3 H 1 1.944 0.01 . . . . . . A 41 LYS HB3 . 26021 1 497 . 1 1 39 39 LYS HG2 H 1 1.747 0.01 . . . . . . A 41 LYS HG2 . 26021 1 498 . 1 1 39 39 LYS HG3 H 1 1.434 0.01 . . . . . . A 41 LYS HG3 . 26021 1 499 . 1 1 39 39 LYS HD2 H 1 1.664 0.01 . . . . . . A 41 LYS HD2 . 26021 1 500 . 1 1 39 39 LYS HD3 H 1 2.024 0.01 . . . . . . A 41 LYS HD3 . 26021 1 501 . 1 1 39 39 LYS C C 13 180.223 0.2 . . . . . . A 41 LYS C . 26021 1 502 . 1 1 39 39 LYS CA C 13 60.891 0.2 . . . . . . A 41 LYS CA . 26021 1 503 . 1 1 39 39 LYS CB C 13 32.067 0.2 . . . . . . A 41 LYS CB . 26021 1 504 . 1 1 39 39 LYS CG C 13 26.426 0.2 . . . . . . A 41 LYS CG . 26021 1 505 . 1 1 39 39 LYS CD C 13 29.698 0.2 . . . . . . A 41 LYS CD . 26021 1 506 . 1 1 39 39 LYS N N 15 120.500 0.1 . . . . . . A 41 LYS N . 26021 1 507 . 1 1 40 40 THR H H 1 7.863 0.01 . . . . . . A 42 THR H . 26021 1 508 . 1 1 40 40 THR HA H 1 4.000 0.01 . . . . . . A 42 THR HA . 26021 1 509 . 1 1 40 40 THR HB H 1 4.366 0.01 . . . . . . A 42 THR HB . 26021 1 510 . 1 1 40 40 THR HG21 H 1 1.272 0.01 . . . . . . A 42 THR HG21 . 26021 1 511 . 1 1 40 40 THR HG22 H 1 1.272 0.01 . . . . . . A 42 THR HG22 . 26021 1 512 . 1 1 40 40 THR HG23 H 1 1.272 0.01 . . . . . . A 42 THR HG23 . 26021 1 513 . 1 1 40 40 THR C C 13 176.633 0.2 . . . . . . A 42 THR C . 26021 1 514 . 1 1 40 40 THR CA C 13 66.574 0.2 . . . . . . A 42 THR CA . 26021 1 515 . 1 1 40 40 THR CB C 13 67.924 0.2 . . . . . . A 42 THR CB . 26021 1 516 . 1 1 40 40 THR CG2 C 13 23.046 0.2 . . . . . . A 42 THR CG2 . 26021 1 517 . 1 1 40 40 THR N N 15 119.555 0.1 . . . . . . A 42 THR N . 26021 1 518 . 1 1 41 41 MET H H 1 8.714 0.01 . . . . . . A 43 MET H . 26021 1 519 . 1 1 41 41 MET HA H 1 4.022 0.01 . . . . . . A 43 MET HA . 26021 1 520 . 1 1 41 41 MET HB2 H 1 2.226 0.01 . . . . . . A 43 MET HB2 . 26021 1 521 . 1 1 41 41 MET HB3 H 1 2.339 0.01 . . . . . . A 43 MET HB3 . 26021 1 522 . 1 1 41 41 MET HG2 H 1 2.519 0.01 . . . . . . A 43 MET HG2 . 26021 1 523 . 1 1 41 41 MET HG3 H 1 2.357 0.01 . . . . . . A 43 MET HG3 . 26021 1 524 . 1 1 41 41 MET HE1 H 1 2.017 0.01 . . . . . . A 43 MET HE1 . 26021 1 525 . 1 1 41 41 MET HE2 H 1 2.017 0.01 . . . . . . A 43 MET HE2 . 26021 1 526 . 1 1 41 41 MET HE3 H 1 2.017 0.01 . . . . . . A 43 MET HE3 . 26021 1 527 . 1 1 41 41 MET C C 13 177.290 0.2 . . . . . . A 43 MET C . 26021 1 528 . 1 1 41 41 MET CA C 13 59.731 0.2 . . . . . . A 43 MET CA . 26021 1 529 . 1 1 41 41 MET CB C 13 33.610 0.2 . . . . . . A 43 MET CB . 26021 1 530 . 1 1 41 41 MET CG C 13 33.022 0.2 . . . . . . A 43 MET CG . 26021 1 531 . 1 1 41 41 MET CE C 13 18.874 0.2 . . . . . . A 43 MET CE . 26021 1 532 . 1 1 41 41 MET N N 15 122.839 0.1 . . . . . . A 43 MET N . 26021 1 533 . 1 1 42 42 ASN H H 1 8.988 0.01 . . . . . . A 44 ASN H . 26021 1 534 . 1 1 42 42 ASN HA H 1 4.374 0.01 . . . . . . A 44 ASN HA . 26021 1 535 . 1 1 42 42 ASN HB2 H 1 2.619 0.01 . . . . . . A 44 ASN HB2 . 26021 1 536 . 1 1 42 42 ASN HB3 H 1 2.896 0.01 . . . . . . A 44 ASN HB3 . 26021 1 537 . 1 1 42 42 ASN HD21 H 1 7.525 0.01 . . . . . . A 44 ASN HD21 . 26021 1 538 . 1 1 42 42 ASN HD22 H 1 6.736 0.01 . . . . . . A 44 ASN HD22 . 26021 1 539 . 1 1 42 42 ASN C C 13 176.297 0.2 . . . . . . A 44 ASN C . 26021 1 540 . 1 1 42 42 ASN CA C 13 56.894 0.2 . . . . . . A 44 ASN CA . 26021 1 541 . 1 1 42 42 ASN CB C 13 39.406 0.2 . . . . . . A 44 ASN CB . 26021 1 542 . 1 1 42 42 ASN N N 15 118.049 0.1 . . . . . . A 44 ASN N . 26021 1 543 . 1 1 42 42 ASN ND2 N 15 111.561 0.1 . . . . . . A 44 ASN ND2 . 26021 1 544 . 1 1 43 43 ALA H H 1 7.675 0.01 . . . . . . A 45 ALA H . 26021 1 545 . 1 1 43 43 ALA HA H 1 4.066 0.01 . . . . . . A 45 ALA HA . 26021 1 546 . 1 1 43 43 ALA HB1 H 1 1.565 0.01 . . . . . . A 45 ALA HB1 . 26021 1 547 . 1 1 43 43 ALA HB2 H 1 1.565 0.01 . . . . . . A 45 ALA HB2 . 26021 1 548 . 1 1 43 43 ALA HB3 H 1 1.565 0.01 . . . . . . A 45 ALA HB3 . 26021 1 549 . 1 1 43 43 ALA C C 13 180.476 0.2 . . . . . . A 45 ALA C . 26021 1 550 . 1 1 43 43 ALA CA C 13 55.268 0.2 . . . . . . A 45 ALA CA . 26021 1 551 . 1 1 43 43 ALA CB C 13 17.688 0.2 . . . . . . A 45 ALA CB . 26021 1 552 . 1 1 43 43 ALA N N 15 119.260 0.1 . . . . . . A 45 ALA N . 26021 1 553 . 1 1 44 44 ALA H H 1 7.872 0.01 . . . . . . A 46 ALA H . 26021 1 554 . 1 1 44 44 ALA HA H 1 4.116 0.01 . . . . . . A 46 ALA HA . 26021 1 555 . 1 1 44 44 ALA HB1 H 1 1.473 0.01 . . . . . . A 46 ALA HB1 . 26021 1 556 . 1 1 44 44 ALA HB2 H 1 1.473 0.01 . . . . . . A 46 ALA HB2 . 26021 1 557 . 1 1 44 44 ALA HB3 H 1 1.473 0.01 . . . . . . A 46 ALA HB3 . 26021 1 558 . 1 1 44 44 ALA C C 13 179.314 0.2 . . . . . . A 46 ALA C . 26021 1 559 . 1 1 44 44 ALA CA C 13 54.986 0.2 . . . . . . A 46 ALA CA . 26021 1 560 . 1 1 44 44 ALA CB C 13 18.222 0.2 . . . . . . A 46 ALA CB . 26021 1 561 . 1 1 44 44 ALA N N 15 121.126 0.1 . . . . . . A 46 ALA N . 26021 1 562 . 1 1 45 45 LEU H H 1 8.529 0.01 . . . . . . A 47 LEU H . 26021 1 563 . 1 1 45 45 LEU HA H 1 4.191 0.01 . . . . . . A 47 LEU HA . 26021 1 564 . 1 1 45 45 LEU HB2 H 1 1.999 0.01 . . . . . . A 47 LEU HB2 . 26021 1 565 . 1 1 45 45 LEU HB3 H 1 1.727 0.01 . . . . . . A 47 LEU HB3 . 26021 1 566 . 1 1 45 45 LEU HG H 1 1.902 0.01 . . . . . . A 47 LEU HG . 26021 1 567 . 1 1 45 45 LEU HD11 H 1 0.959 0.01 . . . . . . A 47 LEU HD11 . 26021 1 568 . 1 1 45 45 LEU HD12 H 1 0.959 0.01 . . . . . . A 47 LEU HD12 . 26021 1 569 . 1 1 45 45 LEU HD13 H 1 0.959 0.01 . . . . . . A 47 LEU HD13 . 26021 1 570 . 1 1 45 45 LEU HD21 H 1 0.963 0.01 . . . . . . A 47 LEU HD21 . 26021 1 571 . 1 1 45 45 LEU HD22 H 1 0.963 0.01 . . . . . . A 47 LEU HD22 . 26021 1 572 . 1 1 45 45 LEU HD23 H 1 0.963 0.01 . . . . . . A 47 LEU HD23 . 26021 1 573 . 1 1 45 45 LEU C C 13 180.403 0.2 . . . . . . A 47 LEU C . 26021 1 574 . 1 1 45 45 LEU CA C 13 58.046 0.2 . . . . . . A 47 LEU CA . 26021 1 575 . 1 1 45 45 LEU CB C 13 41.950 0.2 . . . . . . A 47 LEU CB . 26021 1 576 . 1 1 45 45 LEU CG C 13 26.773 0.2 . . . . . . A 47 LEU CG . 26021 1 577 . 1 1 45 45 LEU CD1 C 13 25.528 0.2 . . . . . . A 47 LEU CD1 . 26021 1 578 . 1 1 45 45 LEU CD2 C 13 24.266 0.2 . . . . . . A 47 LEU CD2 . 26021 1 579 . 1 1 45 45 LEU N N 15 119.328 0.1 . . . . . . A 47 LEU N . 26021 1 580 . 1 1 46 46 ILE H H 1 8.386 0.01 . . . . . . A 48 ILE H . 26021 1 581 . 1 1 46 46 ILE HA H 1 3.702 0.01 . . . . . . A 48 ILE HA . 26021 1 582 . 1 1 46 46 ILE HB H 1 1.862 0.01 . . . . . . A 48 ILE HB . 26021 1 583 . 1 1 46 46 ILE HG12 H 1 1.719 0.01 . . . . . . A 48 ILE HG12 . 26021 1 584 . 1 1 46 46 ILE HG13 H 1 1.100 0.01 . . . . . . A 48 ILE HG13 . 26021 1 585 . 1 1 46 46 ILE HG21 H 1 0.884 0.01 . . . . . . A 48 ILE HG21 . 26021 1 586 . 1 1 46 46 ILE HG22 H 1 0.884 0.01 . . . . . . A 48 ILE HG22 . 26021 1 587 . 1 1 46 46 ILE HG23 H 1 0.884 0.01 . . . . . . A 48 ILE HG23 . 26021 1 588 . 1 1 46 46 ILE HD11 H 1 0.804 0.01 . . . . . . A 48 ILE HD11 . 26021 1 589 . 1 1 46 46 ILE HD12 H 1 0.804 0.01 . . . . . . A 48 ILE HD12 . 26021 1 590 . 1 1 46 46 ILE HD13 H 1 0.804 0.01 . . . . . . A 48 ILE HD13 . 26021 1 591 . 1 1 46 46 ILE C C 13 178.730 0.2 . . . . . . A 48 ILE C . 26021 1 592 . 1 1 46 46 ILE CA C 13 64.910 0.2 . . . . . . A 48 ILE CA . 26021 1 593 . 1 1 46 46 ILE CB C 13 37.912 0.2 . . . . . . A 48 ILE CB . 26021 1 594 . 1 1 46 46 ILE CG1 C 13 29.290 0.2 . . . . . . A 48 ILE CG1 . 26021 1 595 . 1 1 46 46 ILE CG2 C 13 16.997 0.2 . . . . . . A 48 ILE CG2 . 26021 1 596 . 1 1 46 46 ILE CD1 C 13 13.363 0.2 . . . . . . A 48 ILE CD1 . 26021 1 597 . 1 1 46 46 ILE N N 15 121.653 0.1 . . . . . . A 48 ILE N . 26021 1 598 . 1 1 47 47 LYS H H 1 7.456 0.01 . . . . . . A 49 LYS H . 26021 1 599 . 1 1 47 47 LYS HA H 1 4.043 0.01 . . . . . . A 49 LYS HA . 26021 1 600 . 1 1 47 47 LYS HB2 H 1 1.954 0.01 . . . . . . A 49 LYS HB2 . 26021 1 601 . 1 1 47 47 LYS HB3 H 1 1.881 0.01 . . . . . . A 49 LYS HB3 . 26021 1 602 . 1 1 47 47 LYS HG2 H 1 1.520 0.01 . . . . . . A 49 LYS HG2 . 26021 1 603 . 1 1 47 47 LYS HG3 H 1 1.434 0.01 . . . . . . A 49 LYS HG3 . 26021 1 604 . 1 1 47 47 LYS HD2 H 1 1.764 0.01 . . . . . . A 49 LYS HD2 . 26021 1 605 . 1 1 47 47 LYS HD3 H 1 1.670 0.01 . . . . . . A 49 LYS HD3 . 26021 1 606 . 1 1 47 47 LYS HE2 H 1 2.988 0.01 . . . . . . A 49 LYS HE2 . 26021 1 607 . 1 1 47 47 LYS HE3 H 1 2.988 0.01 . . . . . . A 49 LYS HE3 . 26021 1 608 . 1 1 47 47 LYS C C 13 179.999 0.2 . . . . . . A 49 LYS C . 26021 1 609 . 1 1 47 47 LYS CA C 13 59.057 0.2 . . . . . . A 49 LYS CA . 26021 1 610 . 1 1 47 47 LYS CB C 13 31.961 0.2 . . . . . . A 49 LYS CB . 26021 1 611 . 1 1 47 47 LYS CG C 13 25.038 0.2 . . . . . . A 49 LYS CG . 26021 1 612 . 1 1 47 47 LYS CD C 13 28.944 0.2 . . . . . . A 49 LYS CD . 26021 1 613 . 1 1 47 47 LYS N N 15 119.896 0.1 . . . . . . A 49 LYS N . 26021 1 614 . 1 1 48 48 ILE H H 1 8.154 0.01 . . . . . . A 50 ILE H . 26021 1 615 . 1 1 48 48 ILE HA H 1 3.736 0.01 . . . . . . A 50 ILE HA . 26021 1 616 . 1 1 48 48 ILE HB H 1 1.905 0.01 . . . . . . A 50 ILE HB . 26021 1 617 . 1 1 48 48 ILE HG12 H 1 0.972 0.01 . . . . . . A 50 ILE HG12 . 26021 1 618 . 1 1 48 48 ILE HG13 H 1 1.530 0.01 . . . . . . A 50 ILE HG13 . 26021 1 619 . 1 1 48 48 ILE HG21 H 1 0.886 0.01 . . . . . . A 50 ILE HG21 . 26021 1 620 . 1 1 48 48 ILE HG22 H 1 0.886 0.01 . . . . . . A 50 ILE HG22 . 26021 1 621 . 1 1 48 48 ILE HG23 H 1 0.886 0.01 . . . . . . A 50 ILE HG23 . 26021 1 622 . 1 1 48 48 ILE HD11 H 1 0.673 0.01 . . . . . . A 50 ILE HD11 . 26021 1 623 . 1 1 48 48 ILE HD12 H 1 0.673 0.01 . . . . . . A 50 ILE HD12 . 26021 1 624 . 1 1 48 48 ILE HD13 H 1 0.673 0.01 . . . . . . A 50 ILE HD13 . 26021 1 625 . 1 1 48 48 ILE C C 13 177.960 0.2 . . . . . . A 50 ILE C . 26021 1 626 . 1 1 48 48 ILE CA C 13 64.349 0.2 . . . . . . A 50 ILE CA . 26021 1 627 . 1 1 48 48 ILE CB C 13 38.132 0.2 . . . . . . A 50 ILE CB . 26021 1 628 . 1 1 48 48 ILE CG1 C 13 29.478 0.2 . . . . . . A 50 ILE CG1 . 26021 1 629 . 1 1 48 48 ILE CG2 C 13 17.128 0.2 . . . . . . A 50 ILE CG2 . 26021 1 630 . 1 1 48 48 ILE CD1 C 13 13.673 0.2 . . . . . . A 50 ILE CD1 . 26021 1 631 . 1 1 48 48 ILE N N 15 119.964 0.1 . . . . . . A 50 ILE N . 26021 1 632 . 1 1 49 49 GLY H H 1 7.932 0.01 . . . . . . A 51 GLY H . 26021 1 633 . 1 1 49 49 GLY HA2 H 1 4.057 0.01 . . . . . . A 51 GLY HA2 . 26021 1 634 . 1 1 49 49 GLY HA3 H 1 3.889 0.01 . . . . . . A 51 GLY HA3 . 26021 1 635 . 1 1 49 49 GLY C C 13 174.461 0.2 . . . . . . A 51 GLY C . 26021 1 636 . 1 1 49 49 GLY CA C 13 45.909 0.2 . . . . . . A 51 GLY CA . 26021 1 637 . 1 1 49 49 GLY N N 15 106.709 0.1 . . . . . . A 51 GLY N . 26021 1 638 . 1 1 50 50 GLU H H 1 7.597 0.01 . . . . . . A 52 GLU H . 26021 1 639 . 1 1 50 50 GLU HA H 1 4.320 0.01 . . . . . . A 52 GLU HA . 26021 1 640 . 1 1 50 50 GLU HB2 H 1 2.168 0.01 . . . . . . A 52 GLU HB2 . 26021 1 641 . 1 1 50 50 GLU HB3 H 1 2.048 0.01 . . . . . . A 52 GLU HB3 . 26021 1 642 . 1 1 50 50 GLU HG2 H 1 2.512 0.01 . . . . . . A 52 GLU HG2 . 26021 1 643 . 1 1 50 50 GLU HG3 H 1 2.266 0.01 . . . . . . A 52 GLU HG3 . 26021 1 644 . 1 1 50 50 GLU C C 13 176.789 0.2 . . . . . . A 52 GLU C . 26021 1 645 . 1 1 50 50 GLU CA C 13 56.274 0.2 . . . . . . A 52 GLU CA . 26021 1 646 . 1 1 50 50 GLU CB C 13 30.112 0.2 . . . . . . A 52 GLU CB . 26021 1 647 . 1 1 50 50 GLU CG C 13 36.453 0.2 . . . . . . A 52 GLU CG . 26021 1 648 . 1 1 50 50 GLU N N 15 118.736 0.1 . . . . . . A 52 GLU N . 26021 1 649 . 1 1 51 51 VAL H H 1 7.511 0.01 . . . . . . A 53 VAL H . 26021 1 650 . 1 1 51 51 VAL HA H 1 4.261 0.01 . . . . . . A 53 VAL HA . 26021 1 651 . 1 1 51 51 VAL HB H 1 2.146 0.01 . . . . . . A 53 VAL HB . 26021 1 652 . 1 1 51 51 VAL HG11 H 1 0.992 0.01 . . . . . . A 53 VAL HG11 . 26021 1 653 . 1 1 51 51 VAL HG12 H 1 0.992 0.01 . . . . . . A 53 VAL HG12 . 26021 1 654 . 1 1 51 51 VAL HG13 H 1 0.992 0.01 . . . . . . A 53 VAL HG13 . 26021 1 655 . 1 1 51 51 VAL HG21 H 1 0.990 0.01 . . . . . . A 53 VAL HG21 . 26021 1 656 . 1 1 51 51 VAL HG22 H 1 0.990 0.01 . . . . . . A 53 VAL HG22 . 26021 1 657 . 1 1 51 51 VAL HG23 H 1 0.990 0.01 . . . . . . A 53 VAL HG23 . 26021 1 658 . 1 1 51 51 VAL CA C 13 60.385 0.2 . . . . . . A 53 VAL CA . 26021 1 659 . 1 1 51 51 VAL CB C 13 32.822 0.2 . . . . . . A 53 VAL CB . 26021 1 660 . 1 1 51 51 VAL CG1 C 13 20.374 0.2 . . . . . . A 53 VAL CG1 . 26021 1 661 . 1 1 51 51 VAL CG2 C 13 21.058 0.2 . . . . . . A 53 VAL CG2 . 26021 1 662 . 1 1 51 51 VAL N N 15 122.982 0.1 . . . . . . A 53 VAL N . 26021 1 663 . 1 1 52 52 PRO HA H 1 4.645 0.01 . . . . . . A 54 PRO HA . 26021 1 664 . 1 1 52 52 PRO HB2 H 1 2.437 0.01 . . . . . . A 54 PRO HB2 . 26021 1 665 . 1 1 52 52 PRO HB3 H 1 1.881 0.01 . . . . . . A 54 PRO HB3 . 26021 1 666 . 1 1 52 52 PRO HG2 H 1 2.091 0.01 . . . . . . A 54 PRO HG2 . 26021 1 667 . 1 1 52 52 PRO HG3 H 1 2.091 0.01 . . . . . . A 54 PRO HG3 . 26021 1 668 . 1 1 52 52 PRO HD2 H 1 4.017 0.01 . . . . . . A 54 PRO HD2 . 26021 1 669 . 1 1 52 52 PRO HD3 H 1 3.528 0.01 . . . . . . A 54 PRO HD3 . 26021 1 670 . 1 1 52 52 PRO CA C 13 61.578 0.2 . . . . . . A 54 PRO CA . 26021 1 671 . 1 1 52 52 PRO CB C 13 31.535 0.2 . . . . . . A 54 PRO CB . 26021 1 672 . 1 1 52 52 PRO CG C 13 28.734 0.2 . . . . . . A 54 PRO CG . 26021 1 673 . 1 1 52 52 PRO CD C 13 51.007 0.2 . . . . . . A 54 PRO CD . 26021 1 674 . 1 1 53 53 PRO HA H 1 4.191 0.01 . . . . . . A 55 PRO HA . 26021 1 675 . 1 1 53 53 PRO HB2 H 1 2.380 0.01 . . . . . . A 55 PRO HB2 . 26021 1 676 . 1 1 53 53 PRO HB3 H 1 2.021 0.01 . . . . . . A 55 PRO HB3 . 26021 1 677 . 1 1 53 53 PRO HG2 H 1 2.137 0.01 . . . . . . A 55 PRO HG2 . 26021 1 678 . 1 1 53 53 PRO HG3 H 1 2.094 0.01 . . . . . . A 55 PRO HG3 . 26021 1 679 . 1 1 53 53 PRO HD2 H 1 3.896 0.01 . . . . . . A 55 PRO HD2 . 26021 1 680 . 1 1 53 53 PRO HD3 H 1 3.803 0.01 . . . . . . A 55 PRO HD3 . 26021 1 681 . 1 1 53 53 PRO C C 13 178.258 0.2 . . . . . . A 55 PRO C . 26021 1 682 . 1 1 53 53 PRO CA C 13 65.428 0.2 . . . . . . A 55 PRO CA . 26021 1 683 . 1 1 53 53 PRO CB C 13 31.846 0.2 . . . . . . A 55 PRO CB . 26021 1 684 . 1 1 53 53 PRO CG C 13 27.328 0.2 . . . . . . A 55 PRO CG . 26021 1 685 . 1 1 53 53 PRO CD C 13 50.438 0.2 . . . . . . A 55 PRO CD . 26021 1 686 . 1 1 54 54 ASP H H 1 8.489 0.01 . . . . . . A 56 ASP H . 26021 1 687 . 1 1 54 54 ASP HA H 1 4.491 0.01 . . . . . . A 56 ASP HA . 26021 1 688 . 1 1 54 54 ASP HB2 H 1 2.747 0.01 . . . . . . A 56 ASP HB2 . 26021 1 689 . 1 1 54 54 ASP HB3 H 1 2.681 0.01 . . . . . . A 56 ASP HB3 . 26021 1 690 . 1 1 54 54 ASP C C 13 176.696 0.2 . . . . . . A 56 ASP C . 26021 1 691 . 1 1 54 54 ASP CA C 13 55.138 0.2 . . . . . . A 56 ASP CA . 26021 1 692 . 1 1 54 54 ASP CB C 13 39.726 0.2 . . . . . . A 56 ASP CB . 26021 1 693 . 1 1 54 54 ASP N N 15 114.117 0.1 . . . . . . A 56 ASP N . 26021 1 694 . 1 1 55 55 GLN H H 1 8.206 0.01 . . . . . . A 57 GLN H . 26021 1 695 . 1 1 55 55 GLN HA H 1 4.374 0.01 . . . . . . A 57 GLN HA . 26021 1 696 . 1 1 55 55 GLN HB2 H 1 1.837 0.01 . . . . . . A 57 GLN HB2 . 26021 1 697 . 1 1 55 55 GLN HB3 H 1 2.328 0.01 . . . . . . A 57 GLN HB3 . 26021 1 698 . 1 1 55 55 GLN HG2 H 1 2.337 0.01 . . . . . . A 57 GLN HG2 . 26021 1 699 . 1 1 55 55 GLN HG3 H 1 2.337 0.01 . . . . . . A 57 GLN HG3 . 26021 1 700 . 1 1 55 55 GLN HE21 H 1 7.707 0.01 . . . . . . A 57 GLN HE21 . 26021 1 701 . 1 1 55 55 GLN HE22 H 1 6.847 0.01 . . . . . . A 57 GLN HE22 . 26021 1 702 . 1 1 55 55 GLN C C 13 175.765 0.2 . . . . . . A 57 GLN C . 26021 1 703 . 1 1 55 55 GLN CA C 13 55.290 0.2 . . . . . . A 57 GLN CA . 26021 1 704 . 1 1 55 55 GLN CB C 13 29.646 0.2 . . . . . . A 57 GLN CB . 26021 1 705 . 1 1 55 55 GLN CG C 13 34.010 0.2 . . . . . . A 57 GLN CG . 26021 1 706 . 1 1 55 55 GLN N N 15 117.641 0.1 . . . . . . A 57 GLN N . 26021 1 707 . 1 1 55 55 GLN NE2 N 15 112.540 0.1 . . . . . . A 57 GLN NE2 . 26021 1 708 . 1 1 56 56 LEU H H 1 7.152 0.01 . . . . . . A 58 LEU H . 26021 1 709 . 1 1 56 56 LEU HA H 1 4.450 0.01 . . . . . . A 58 LEU HA . 26021 1 710 . 1 1 56 56 LEU HB2 H 1 1.610 0.01 . . . . . . A 58 LEU HB2 . 26021 1 711 . 1 1 56 56 LEU HB3 H 1 1.610 0.01 . . . . . . A 58 LEU HB3 . 26021 1 712 . 1 1 56 56 LEU HG H 1 1.696 0.01 . . . . . . A 58 LEU HG . 26021 1 713 . 1 1 56 56 LEU HD11 H 1 0.976 0.01 . . . . . . A 58 LEU HD11 . 26021 1 714 . 1 1 56 56 LEU HD12 H 1 0.976 0.01 . . . . . . A 58 LEU HD12 . 26021 1 715 . 1 1 56 56 LEU HD13 H 1 0.976 0.01 . . . . . . A 58 LEU HD13 . 26021 1 716 . 1 1 56 56 LEU HD21 H 1 0.875 0.01 . . . . . . A 58 LEU HD21 . 26021 1 717 . 1 1 56 56 LEU HD22 H 1 0.875 0.01 . . . . . . A 58 LEU HD22 . 26021 1 718 . 1 1 56 56 LEU HD23 H 1 0.875 0.01 . . . . . . A 58 LEU HD23 . 26021 1 719 . 1 1 56 56 LEU C C 13 176.849 0.2 . . . . . . A 58 LEU C . 26021 1 720 . 1 1 56 56 LEU CA C 13 54.995 0.2 . . . . . . A 58 LEU CA . 26021 1 721 . 1 1 56 56 LEU CB C 13 43.231 0.2 . . . . . . A 58 LEU CB . 26021 1 722 . 1 1 56 56 LEU CG C 13 26.574 0.2 . . . . . . A 58 LEU CG . 26021 1 723 . 1 1 56 56 LEU CD1 C 13 25.208 0.2 . . . . . . A 58 LEU CD1 . 26021 1 724 . 1 1 56 56 LEU CD2 C 13 23.940 0.2 . . . . . . A 58 LEU CD2 . 26021 1 725 . 1 1 56 56 LEU N N 15 122.141 0.1 . . . . . . A 58 LEU N . 26021 1 726 . 1 1 57 57 ASP H H 1 9.312 0.01 . . . . . . A 59 ASP H . 26021 1 727 . 1 1 57 57 ASP HA H 1 4.719 0.01 . . . . . . A 59 ASP HA . 26021 1 728 . 1 1 57 57 ASP HB2 H 1 3.032 0.01 . . . . . . A 59 ASP HB2 . 26021 1 729 . 1 1 57 57 ASP HB3 H 1 2.749 0.01 . . . . . . A 59 ASP HB3 . 26021 1 730 . 1 1 57 57 ASP C C 13 177.249 0.2 . . . . . . A 59 ASP C . 26021 1 731 . 1 1 57 57 ASP CA C 13 53.403 0.2 . . . . . . A 59 ASP CA . 26021 1 732 . 1 1 57 57 ASP CB C 13 42.232 0.2 . . . . . . A 59 ASP CB . 26021 1 733 . 1 1 57 57 ASP N N 15 125.643 0.1 . . . . . . A 59 ASP N . 26021 1 734 . 1 1 58 58 SER H H 1 8.647 0.01 . . . . . . A 60 SER H . 26021 1 735 . 1 1 58 58 SER HA H 1 4.124 0.01 . . . . . . A 60 SER HA . 26021 1 736 . 1 1 58 58 SER HB2 H 1 3.961 0.01 . . . . . . A 60 SER HB2 . 26021 1 737 . 1 1 58 58 SER HB3 H 1 4.003 0.01 . . . . . . A 60 SER HB3 . 26021 1 738 . 1 1 58 58 SER C C 13 176.840 0.2 . . . . . . A 60 SER C . 26021 1 739 . 1 1 58 58 SER CA C 13 61.722 0.2 . . . . . . A 60 SER CA . 26021 1 740 . 1 1 58 58 SER CB C 13 62.815 0.2 . . . . . . A 60 SER CB . 26021 1 741 . 1 1 58 58 SER N N 15 116.550 0.1 . . . . . . A 60 SER N . 26021 1 742 . 1 1 59 59 GLN H H 1 8.453 0.01 . . . . . . A 61 GLN H . 26021 1 743 . 1 1 59 59 GLN HA H 1 4.131 0.01 . . . . . . A 61 GLN HA . 26021 1 744 . 1 1 59 59 GLN HB2 H 1 2.090 0.01 . . . . . . A 61 GLN HB2 . 26021 1 745 . 1 1 59 59 GLN HB3 H 1 2.090 0.01 . . . . . . A 61 GLN HB3 . 26021 1 746 . 1 1 59 59 GLN HG2 H 1 2.374 0.01 . . . . . . A 61 GLN HG2 . 26021 1 747 . 1 1 59 59 GLN HG3 H 1 2.299 0.01 . . . . . . A 61 GLN HG3 . 26021 1 748 . 1 1 59 59 GLN HE21 H 1 6.905 0.01 . . . . . . A 61 GLN HE21 . 26021 1 749 . 1 1 59 59 GLN HE22 H 1 7.596 0.01 . . . . . . A 61 GLN HE22 . 26021 1 750 . 1 1 59 59 GLN C C 13 178.629 0.2 . . . . . . A 61 GLN C . 26021 1 751 . 1 1 59 59 GLN CA C 13 58.753 0.2 . . . . . . A 61 GLN CA . 26021 1 752 . 1 1 59 59 GLN CB C 13 28.253 0.2 . . . . . . A 61 GLN CB . 26021 1 753 . 1 1 59 59 GLN CG C 13 34.264 0.2 . . . . . . A 61 GLN CG . 26021 1 754 . 1 1 59 59 GLN N N 15 121.394 0.1 . . . . . . A 61 GLN N . 26021 1 755 . 1 1 59 59 GLN NE2 N 15 112.969 0.1 . . . . . . A 61 GLN NE2 . 26021 1 756 . 1 1 60 60 ASP H H 1 8.311 0.01 . . . . . . A 62 ASP H . 26021 1 757 . 1 1 60 60 ASP HA H 1 4.619 0.01 . . . . . . A 62 ASP HA . 26021 1 758 . 1 1 60 60 ASP HB2 H 1 2.981 0.01 . . . . . . A 62 ASP HB2 . 26021 1 759 . 1 1 60 60 ASP HB3 H 1 2.651 0.01 . . . . . . A 62 ASP HB3 . 26021 1 760 . 1 1 60 60 ASP C C 13 178.318 0.2 . . . . . . A 62 ASP C . 26021 1 761 . 1 1 60 60 ASP CA C 13 57.462 0.2 . . . . . . A 62 ASP CA . 26021 1 762 . 1 1 60 60 ASP CB C 13 41.036 0.2 . . . . . . A 62 ASP CB . 26021 1 763 . 1 1 60 60 ASP N N 15 122.187 0.1 . . . . . . A 62 ASP N . 26021 1 764 . 1 1 61 61 LYS H H 1 7.923 0.01 . . . . . . A 63 LYS H . 26021 1 765 . 1 1 61 61 LYS HA H 1 4.009 0.01 . . . . . . A 63 LYS HA . 26021 1 766 . 1 1 61 61 LYS HB2 H 1 1.973 0.01 . . . . . . A 63 LYS HB2 . 26021 1 767 . 1 1 61 61 LYS HB3 H 1 1.859 0.01 . . . . . . A 63 LYS HB3 . 26021 1 768 . 1 1 61 61 LYS HG2 H 1 1.415 0.01 . . . . . . A 63 LYS HG2 . 26021 1 769 . 1 1 61 61 LYS HG3 H 1 1.361 0.01 . . . . . . A 63 LYS HG3 . 26021 1 770 . 1 1 61 61 LYS HD2 H 1 1.637 0.01 . . . . . . A 63 LYS HD2 . 26021 1 771 . 1 1 61 61 LYS HD3 H 1 1.566 0.01 . . . . . . A 63 LYS HD3 . 26021 1 772 . 1 1 61 61 LYS C C 13 178.765 0.2 . . . . . . A 63 LYS C . 26021 1 773 . 1 1 61 61 LYS CA C 13 59.753 0.2 . . . . . . A 63 LYS CA . 26021 1 774 . 1 1 61 61 LYS CB C 13 32.453 0.2 . . . . . . A 63 LYS CB . 26021 1 775 . 1 1 61 61 LYS N N 15 120.325 0.1 . . . . . . A 63 LYS N . 26021 1 776 . 1 1 62 62 LEU H H 1 7.820 0.01 . . . . . . A 64 LEU H . 26021 1 777 . 1 1 62 62 LEU HA H 1 4.226 0.01 . . . . . . A 64 LEU HA . 26021 1 778 . 1 1 62 62 LEU HB2 H 1 1.728 0.01 . . . . . . A 64 LEU HB2 . 26021 1 779 . 1 1 62 62 LEU HB3 H 1 1.823 0.01 . . . . . . A 64 LEU HB3 . 26021 1 780 . 1 1 62 62 LEU HG H 1 1.797 0.01 . . . . . . A 64 LEU HG . 26021 1 781 . 1 1 62 62 LEU HD11 H 1 0.937 0.01 . . . . . . A 64 LEU HD11 . 26021 1 782 . 1 1 62 62 LEU HD12 H 1 0.937 0.01 . . . . . . A 64 LEU HD12 . 26021 1 783 . 1 1 62 62 LEU HD13 H 1 0.937 0.01 . . . . . . A 64 LEU HD13 . 26021 1 784 . 1 1 62 62 LEU HD21 H 1 0.937 0.01 . . . . . . A 64 LEU HD21 . 26021 1 785 . 1 1 62 62 LEU HD22 H 1 0.937 0.01 . . . . . . A 64 LEU HD22 . 26021 1 786 . 1 1 62 62 LEU HD23 H 1 0.937 0.01 . . . . . . A 64 LEU HD23 . 26021 1 787 . 1 1 62 62 LEU C C 13 179.526 0.2 . . . . . . A 64 LEU C . 26021 1 788 . 1 1 62 62 LEU CA C 13 57.798 0.2 . . . . . . A 64 LEU CA . 26021 1 789 . 1 1 62 62 LEU CB C 13 41.775 0.2 . . . . . . A 64 LEU CB . 26021 1 790 . 1 1 62 62 LEU CG C 13 27.100 0.2 . . . . . . A 64 LEU CG . 26021 1 791 . 1 1 62 62 LEU CD1 C 13 23.669 0.2 . . . . . . A 64 LEU CD1 . 26021 1 792 . 1 1 62 62 LEU CD2 C 13 24.888 0.2 . . . . . . A 64 LEU CD2 . 26021 1 793 . 1 1 62 62 LEU N N 15 119.491 0.1 . . . . . . A 64 LEU N . 26021 1 794 . 1 1 63 63 TRP H H 1 8.196 0.01 . . . . . . A 65 TRP H . 26021 1 795 . 1 1 63 63 TRP HA H 1 4.308 0.01 . . . . . . A 65 TRP HA . 26021 1 796 . 1 1 63 63 TRP HB2 H 1 3.502 0.01 . . . . . . A 65 TRP HB2 . 26021 1 797 . 1 1 63 63 TRP HB3 H 1 3.427 0.01 . . . . . . A 65 TRP HB3 . 26021 1 798 . 1 1 63 63 TRP HD1 H 1 7.247 0.01 . . . . . . A 65 TRP HD1 . 26021 1 799 . 1 1 63 63 TRP HE1 H 1 10.216 0.01 . . . . . . A 65 TRP HE1 . 26021 1 800 . 1 1 63 63 TRP HE3 H 1 7.446 0.01 . . . . . . A 65 TRP HE3 . 26021 1 801 . 1 1 63 63 TRP HZ2 H 1 7.114 0.01 . . . . . . A 65 TRP HZ2 . 26021 1 802 . 1 1 63 63 TRP HZ3 H 1 6.833 0.01 . . . . . . A 65 TRP HZ3 . 26021 1 803 . 1 1 63 63 TRP HH2 H 1 7.055 0.01 . . . . . . A 65 TRP HH2 . 26021 1 804 . 1 1 63 63 TRP C C 13 177.379 0.2 . . . . . . A 65 TRP C . 26021 1 805 . 1 1 63 63 TRP CA C 13 61.802 0.2 . . . . . . A 65 TRP CA . 26021 1 806 . 1 1 63 63 TRP CB C 13 28.411 0.2 . . . . . . A 65 TRP CB . 26021 1 807 . 1 1 63 63 TRP CD1 C 13 126.751 0.2 . . . . . . A 65 TRP CD1 . 26021 1 808 . 1 1 63 63 TRP CE3 C 13 120.607 0.2 . . . . . . A 65 TRP CE3 . 26021 1 809 . 1 1 63 63 TRP CZ2 C 13 114.042 0.2 . . . . . . A 65 TRP CZ2 . 26021 1 810 . 1 1 63 63 TRP CZ3 C 13 121.482 0.2 . . . . . . A 65 TRP CZ3 . 26021 1 811 . 1 1 63 63 TRP CH2 C 13 123.683 0.2 . . . . . . A 65 TRP CH2 . 26021 1 812 . 1 1 63 63 TRP N N 15 120.674 0.1 . . . . . . A 65 TRP N . 26021 1 813 . 1 1 63 63 TRP NE1 N 15 129.099 0.1 . . . . . . A 65 TRP NE1 . 26021 1 814 . 1 1 64 64 ALA H H 1 8.305 0.01 . . . . . . A 66 ALA H . 26021 1 815 . 1 1 64 64 ALA HA H 1 3.709 0.01 . . . . . . A 66 ALA HA . 26021 1 816 . 1 1 64 64 ALA HB1 H 1 1.539 0.01 . . . . . . A 66 ALA HB1 . 26021 1 817 . 1 1 64 64 ALA HB2 H 1 1.539 0.01 . . . . . . A 66 ALA HB2 . 26021 1 818 . 1 1 64 64 ALA HB3 H 1 1.539 0.01 . . . . . . A 66 ALA HB3 . 26021 1 819 . 1 1 64 64 ALA C C 13 180.376 0.2 . . . . . . A 66 ALA C . 26021 1 820 . 1 1 64 64 ALA CA C 13 55.564 0.2 . . . . . . A 66 ALA CA . 26021 1 821 . 1 1 64 64 ALA CB C 13 17.654 0.2 . . . . . . A 66 ALA CB . 26021 1 822 . 1 1 64 64 ALA N N 15 120.606 0.1 . . . . . . A 66 ALA N . 26021 1 823 . 1 1 65 65 ASP H H 1 7.945 0.01 . . . . . . A 67 ASP H . 26021 1 824 . 1 1 65 65 ASP HA H 1 4.450 0.01 . . . . . . A 67 ASP HA . 26021 1 825 . 1 1 65 65 ASP HB2 H 1 2.931 0.01 . . . . . . A 67 ASP HB2 . 26021 1 826 . 1 1 65 65 ASP HB3 H 1 2.714 0.01 . . . . . . A 67 ASP HB3 . 26021 1 827 . 1 1 65 65 ASP C C 13 178.757 0.2 . . . . . . A 67 ASP C . 26021 1 828 . 1 1 65 65 ASP CA C 13 57.492 0.2 . . . . . . A 67 ASP CA . 26021 1 829 . 1 1 65 65 ASP CB C 13 40.154 0.2 . . . . . . A 67 ASP CB . 26021 1 830 . 1 1 65 65 ASP N N 15 119.175 0.1 . . . . . . A 67 ASP N . 26021 1 831 . 1 1 66 66 GLU H H 1 8.168 0.01 . . . . . . A 68 GLU H . 26021 1 832 . 1 1 66 66 GLU HA H 1 4.015 0.01 . . . . . . A 68 GLU HA . 26021 1 833 . 1 1 66 66 GLU HB2 H 1 2.251 0.01 . . . . . . A 68 GLU HB2 . 26021 1 834 . 1 1 66 66 GLU HB3 H 1 1.974 0.01 . . . . . . A 68 GLU HB3 . 26021 1 835 . 1 1 66 66 GLU HG2 H 1 2.527 0.01 . . . . . . A 68 GLU HG2 . 26021 1 836 . 1 1 66 66 GLU HG3 H 1 2.154 0.01 . . . . . . A 68 GLU HG3 . 26021 1 837 . 1 1 66 66 GLU C C 13 180.055 0.2 . . . . . . A 68 GLU C . 26021 1 838 . 1 1 66 66 GLU CA C 13 60.110 0.2 . . . . . . A 68 GLU CA . 26021 1 839 . 1 1 66 66 GLU CB C 13 29.647 0.2 . . . . . . A 68 GLU CB . 26021 1 840 . 1 1 66 66 GLU CG C 13 37.388 0.2 . . . . . . A 68 GLU CG . 26021 1 841 . 1 1 66 66 GLU N N 15 122.322 0.1 . . . . . . A 68 GLU N . 26021 1 842 . 1 1 67 67 VAL H H 1 8.424 0.01 . . . . . . A 69 VAL H . 26021 1 843 . 1 1 67 67 VAL HA H 1 3.252 0.01 . . . . . . A 69 VAL HA . 26021 1 844 . 1 1 67 67 VAL HB H 1 1.816 0.01 . . . . . . A 69 VAL HB . 26021 1 845 . 1 1 67 67 VAL HG11 H 1 0.694 0.01 . . . . . . A 69 VAL HG11 . 26021 1 846 . 1 1 67 67 VAL HG12 H 1 0.694 0.01 . . . . . . A 69 VAL HG12 . 26021 1 847 . 1 1 67 67 VAL HG13 H 1 0.694 0.01 . . . . . . A 69 VAL HG13 . 26021 1 848 . 1 1 67 67 VAL HG21 H 1 0.018 0.01 . . . . . . A 69 VAL HG21 . 26021 1 849 . 1 1 67 67 VAL HG22 H 1 0.018 0.01 . . . . . . A 69 VAL HG22 . 26021 1 850 . 1 1 67 67 VAL HG23 H 1 0.018 0.01 . . . . . . A 69 VAL HG23 . 26021 1 851 . 1 1 67 67 VAL C C 13 177.736 0.2 . . . . . . A 69 VAL C . 26021 1 852 . 1 1 67 67 VAL CA C 13 66.539 0.2 . . . . . . A 69 VAL CA . 26021 1 853 . 1 1 67 67 VAL CB C 13 31.242 0.2 . . . . . . A 69 VAL CB . 26021 1 854 . 1 1 67 67 VAL CG1 C 13 22.338 0.2 . . . . . . A 69 VAL CG1 . 26021 1 855 . 1 1 67 67 VAL CG2 C 13 22.025 0.2 . . . . . . A 69 VAL CG2 . 26021 1 856 . 1 1 67 67 VAL N N 15 122.135 0.1 . . . . . . A 69 VAL N . 26021 1 857 . 1 1 68 68 ARG H H 1 7.916 0.01 . . . . . . A 70 ARG H . 26021 1 858 . 1 1 68 68 ARG HA H 1 3.692 0.01 . . . . . . A 70 ARG HA . 26021 1 859 . 1 1 68 68 ARG HB2 H 1 1.984 0.01 . . . . . . A 70 ARG HB2 . 26021 1 860 . 1 1 68 68 ARG HB3 H 1 1.984 0.01 . . . . . . A 70 ARG HB3 . 26021 1 861 . 1 1 68 68 ARG HG2 H 1 1.644 0.01 . . . . . . A 70 ARG HG2 . 26021 1 862 . 1 1 68 68 ARG HG3 H 1 1.386 0.01 . . . . . . A 70 ARG HG3 . 26021 1 863 . 1 1 68 68 ARG HD2 H 1 3.282 0.01 . . . . . . A 70 ARG HD2 . 26021 1 864 . 1 1 68 68 ARG HD3 H 1 3.282 0.01 . . . . . . A 70 ARG HD3 . 26021 1 865 . 1 1 68 68 ARG C C 13 179.117 0.2 . . . . . . A 70 ARG C . 26021 1 866 . 1 1 68 68 ARG CA C 13 60.165 0.2 . . . . . . A 70 ARG CA . 26021 1 867 . 1 1 68 68 ARG CB C 13 29.654 0.2 . . . . . . A 70 ARG CB . 26021 1 868 . 1 1 68 68 ARG CG C 13 28.030 0.2 . . . . . . A 70 ARG CG . 26021 1 869 . 1 1 68 68 ARG CD C 13 43.339 0.2 . . . . . . A 70 ARG CD . 26021 1 870 . 1 1 68 68 ARG N N 15 121.373 0.1 . . . . . . A 70 ARG N . 26021 1 871 . 1 1 69 69 GLU H H 1 8.031 0.01 . . . . . . A 71 GLU H . 26021 1 872 . 1 1 69 69 GLU HA H 1 4.063 0.01 . . . . . . A 71 GLU HA . 26021 1 873 . 1 1 69 69 GLU HB2 H 1 2.087 0.01 . . . . . . A 71 GLU HB2 . 26021 1 874 . 1 1 69 69 GLU HB3 H 1 2.087 0.01 . . . . . . A 71 GLU HB3 . 26021 1 875 . 1 1 69 69 GLU HG2 H 1 2.402 0.01 . . . . . . A 71 GLU HG2 . 26021 1 876 . 1 1 69 69 GLU HG3 H 1 2.278 0.01 . . . . . . A 71 GLU HG3 . 26021 1 877 . 1 1 69 69 GLU C C 13 179.119 0.2 . . . . . . A 71 GLU C . 26021 1 878 . 1 1 69 69 GLU CA C 13 59.687 0.2 . . . . . . A 71 GLU CA . 26021 1 879 . 1 1 69 69 GLU CB C 13 29.270 0.2 . . . . . . A 71 GLU CB . 26021 1 880 . 1 1 69 69 GLU CG C 13 36.215 0.2 . . . . . . A 71 GLU CG . 26021 1 881 . 1 1 69 69 GLU N N 15 119.075 0.1 . . . . . . A 71 GLU N . 26021 1 882 . 1 1 70 70 LEU H H 1 8.175 0.01 . . . . . . A 72 LEU H . 26021 1 883 . 1 1 70 70 LEU HA H 1 4.057 0.01 . . . . . . A 72 LEU HA . 26021 1 884 . 1 1 70 70 LEU HB2 H 1 1.910 0.01 . . . . . . A 72 LEU HB2 . 26021 1 885 . 1 1 70 70 LEU HB3 H 1 1.493 0.01 . . . . . . A 72 LEU HB3 . 26021 1 886 . 1 1 70 70 LEU HD11 H 1 0.848 0.01 . . . . . . A 72 LEU HD11 . 26021 1 887 . 1 1 70 70 LEU HD12 H 1 0.848 0.01 . . . . . . A 72 LEU HD12 . 26021 1 888 . 1 1 70 70 LEU HD13 H 1 0.848 0.01 . . . . . . A 72 LEU HD13 . 26021 1 889 . 1 1 70 70 LEU HD21 H 1 0.877 0.01 . . . . . . A 72 LEU HD21 . 26021 1 890 . 1 1 70 70 LEU HD22 H 1 0.877 0.01 . . . . . . A 72 LEU HD22 . 26021 1 891 . 1 1 70 70 LEU HD23 H 1 0.877 0.01 . . . . . . A 72 LEU HD23 . 26021 1 892 . 1 1 70 70 LEU C C 13 178.734 0.2 . . . . . . A 72 LEU C . 26021 1 893 . 1 1 70 70 LEU CA C 13 57.422 0.2 . . . . . . A 72 LEU CA . 26021 1 894 . 1 1 70 70 LEU CB C 13 41.408 0.2 . . . . . . A 72 LEU CB . 26021 1 895 . 1 1 70 70 LEU CD1 C 13 22.612 0.2 . . . . . . A 72 LEU CD1 . 26021 1 896 . 1 1 70 70 LEU CD2 C 13 26.847 0.2 . . . . . . A 72 LEU CD2 . 26021 1 897 . 1 1 70 70 LEU N N 15 120.503 0.1 . . . . . . A 72 LEU N . 26021 1 898 . 1 1 71 71 SER H H 1 8.411 0.01 . . . . . . A 73 SER H . 26021 1 899 . 1 1 71 71 SER HA H 1 3.824 0.01 . . . . . . A 73 SER HA . 26021 1 900 . 1 1 71 71 SER HB2 H 1 3.687 0.01 . . . . . . A 73 SER HB2 . 26021 1 901 . 1 1 71 71 SER HB3 H 1 3.687 0.01 . . . . . . A 73 SER HB3 . 26021 1 902 . 1 1 71 71 SER C C 13 175.697 0.2 . . . . . . A 73 SER C . 26021 1 903 . 1 1 71 71 SER CA C 13 62.384 0.2 . . . . . . A 73 SER CA . 26021 1 904 . 1 1 71 71 SER CB C 13 62.093 0.2 . . . . . . A 73 SER CB . 26021 1 905 . 1 1 71 71 SER N N 15 115.243 0.1 . . . . . . A 73 SER N . 26021 1 906 . 1 1 72 72 TYR H H 1 7.314 0.01 . . . . . . A 74 TYR H . 26021 1 907 . 1 1 72 72 TYR HA H 1 4.491 0.01 . . . . . . A 74 TYR HA . 26021 1 908 . 1 1 72 72 TYR HB2 H 1 3.296 0.01 . . . . . . A 74 TYR HB2 . 26021 1 909 . 1 1 72 72 TYR HB3 H 1 3.128 0.01 . . . . . . A 74 TYR HB3 . 26021 1 910 . 1 1 72 72 TYR HD1 H 1 7.233 0.01 . . . . . . A 74 TYR HD1 . 26021 1 911 . 1 1 72 72 TYR HD2 H 1 7.233 0.01 . . . . . . A 74 TYR HD2 . 26021 1 912 . 1 1 72 72 TYR HE1 H 1 6.773 0.01 . . . . . . A 74 TYR HE1 . 26021 1 913 . 1 1 72 72 TYR HE2 H 1 6.773 0.01 . . . . . . A 74 TYR HE2 . 26021 1 914 . 1 1 72 72 TYR C C 13 178.747 0.2 . . . . . . A 74 TYR C . 26021 1 915 . 1 1 72 72 TYR CA C 13 60.435 0.2 . . . . . . A 74 TYR CA . 26021 1 916 . 1 1 72 72 TYR CB C 13 37.507 0.2 . . . . . . A 74 TYR CB . 26021 1 917 . 1 1 72 72 TYR CD2 C 13 133.256 0.2 . . . . . . A 74 TYR CD2 . 26021 1 918 . 1 1 72 72 TYR CE2 C 13 118.122 0.2 . . . . . . A 74 TYR CE2 . 26021 1 919 . 1 1 72 72 TYR N N 15 121.342 0.1 . . . . . . A 74 TYR N . 26021 1 920 . 1 1 73 73 VAL H H 1 7.740 0.01 . . . . . . A 75 VAL H . 26021 1 921 . 1 1 73 73 VAL HA H 1 3.861 0.01 . . . . . . A 75 VAL HA . 26021 1 922 . 1 1 73 73 VAL HB H 1 2.362 0.01 . . . . . . A 75 VAL HB . 26021 1 923 . 1 1 73 73 VAL HG11 H 1 1.171 0.01 . . . . . . A 75 VAL HG11 . 26021 1 924 . 1 1 73 73 VAL HG12 H 1 1.171 0.01 . . . . . . A 75 VAL HG12 . 26021 1 925 . 1 1 73 73 VAL HG13 H 1 1.171 0.01 . . . . . . A 75 VAL HG13 . 26021 1 926 . 1 1 73 73 VAL HG21 H 1 1.001 0.01 . . . . . . A 75 VAL HG21 . 26021 1 927 . 1 1 73 73 VAL HG22 H 1 1.001 0.01 . . . . . . A 75 VAL HG22 . 26021 1 928 . 1 1 73 73 VAL HG23 H 1 1.001 0.01 . . . . . . A 75 VAL HG23 . 26021 1 929 . 1 1 73 73 VAL C C 13 179.788 0.2 . . . . . . A 75 VAL C . 26021 1 930 . 1 1 73 73 VAL CA C 13 66.048 0.2 . . . . . . A 75 VAL CA . 26021 1 931 . 1 1 73 73 VAL CB C 13 31.714 0.2 . . . . . . A 75 VAL CB . 26021 1 932 . 1 1 73 73 VAL CG1 C 13 21.851 0.2 . . . . . . A 75 VAL CG1 . 26021 1 933 . 1 1 73 73 VAL CG2 C 13 21.910 0.2 . . . . . . A 75 VAL CG2 . 26021 1 934 . 1 1 73 73 VAL N N 15 120.779 0.1 . . . . . . A 75 VAL N . 26021 1 935 . 1 1 74 74 ILE H H 1 8.584 0.01 . . . . . . A 76 ILE H . 26021 1 936 . 1 1 74 74 ILE HA H 1 3.700 0.01 . . . . . . A 76 ILE HA . 26021 1 937 . 1 1 74 74 ILE HB H 1 1.853 0.01 . . . . . . A 76 ILE HB . 26021 1 938 . 1 1 74 74 ILE HG21 H 1 0.907 0.01 . . . . . . A 76 ILE HG21 . 26021 1 939 . 1 1 74 74 ILE HG22 H 1 0.907 0.01 . . . . . . A 76 ILE HG22 . 26021 1 940 . 1 1 74 74 ILE HG23 H 1 0.907 0.01 . . . . . . A 76 ILE HG23 . 26021 1 941 . 1 1 74 74 ILE HD11 H 1 0.782 0.01 . . . . . . A 76 ILE HD11 . 26021 1 942 . 1 1 74 74 ILE HD12 H 1 0.782 0.01 . . . . . . A 76 ILE HD12 . 26021 1 943 . 1 1 74 74 ILE HD13 H 1 0.782 0.01 . . . . . . A 76 ILE HD13 . 26021 1 944 . 1 1 74 74 ILE C C 13 177.066 0.2 . . . . . . A 76 ILE C . 26021 1 945 . 1 1 74 74 ILE CA C 13 65.919 0.2 . . . . . . A 76 ILE CA . 26021 1 946 . 1 1 74 74 ILE CB C 13 37.385 0.2 . . . . . . A 76 ILE CB . 26021 1 947 . 1 1 74 74 ILE CG2 C 13 18.646 0.2 . . . . . . A 76 ILE CG2 . 26021 1 948 . 1 1 74 74 ILE CD1 C 13 14.316 0.2 . . . . . . A 76 ILE CD1 . 26021 1 949 . 1 1 74 74 ILE N N 15 120.598 0.1 . . . . . . A 76 ILE N . 26021 1 950 . 1 1 75 75 GLU H H 1 8.445 0.01 . . . . . . A 77 GLU H . 26021 1 951 . 1 1 75 75 GLU HA H 1 3.649 0.01 . . . . . . A 77 GLU HA . 26021 1 952 . 1 1 75 75 GLU HB2 H 1 2.244 0.01 . . . . . . A 77 GLU HB2 . 26021 1 953 . 1 1 75 75 GLU HB3 H 1 2.064 0.01 . . . . . . A 77 GLU HB3 . 26021 1 954 . 1 1 75 75 GLU HG2 H 1 2.347 0.01 . . . . . . A 77 GLU HG2 . 26021 1 955 . 1 1 75 75 GLU HG3 H 1 2.087 0.01 . . . . . . A 77 GLU HG3 . 26021 1 956 . 1 1 75 75 GLU C C 13 177.502 0.2 . . . . . . A 77 GLU C . 26021 1 957 . 1 1 75 75 GLU CA C 13 60.862 0.2 . . . . . . A 77 GLU CA . 26021 1 958 . 1 1 75 75 GLU CB C 13 29.352 0.2 . . . . . . A 77 GLU CB . 26021 1 959 . 1 1 75 75 GLU CG C 13 36.604 0.2 . . . . . . A 77 GLU CG . 26021 1 960 . 1 1 75 75 GLU N N 15 120.468 0.1 . . . . . . A 77 GLU N . 26021 1 961 . 1 1 76 76 ASP H H 1 7.885 0.01 . . . . . . A 78 ASP H . 26021 1 962 . 1 1 76 76 ASP HA H 1 4.391 0.01 . . . . . . A 78 ASP HA . 26021 1 963 . 1 1 76 76 ASP HB2 H 1 2.725 0.01 . . . . . . A 78 ASP HB2 . 26021 1 964 . 1 1 76 76 ASP HB3 H 1 2.637 0.01 . . . . . . A 78 ASP HB3 . 26021 1 965 . 1 1 76 76 ASP C C 13 177.382 0.2 . . . . . . A 78 ASP C . 26021 1 966 . 1 1 76 76 ASP CA C 13 57.495 0.2 . . . . . . A 78 ASP CA . 26021 1 967 . 1 1 76 76 ASP CB C 13 41.935 0.2 . . . . . . A 78 ASP CB . 26021 1 968 . 1 1 76 76 ASP N N 15 117.382 0.1 . . . . . . A 78 ASP N . 26021 1 969 . 1 1 77 77 ALA H H 1 7.754 0.01 . . . . . . A 79 ALA H . 26021 1 970 . 1 1 77 77 ALA HA H 1 4.050 0.01 . . . . . . A 79 ALA HA . 26021 1 971 . 1 1 77 77 ALA HB1 H 1 1.390 0.01 . . . . . . A 79 ALA HB1 . 26021 1 972 . 1 1 77 77 ALA HB2 H 1 1.390 0.01 . . . . . . A 79 ALA HB2 . 26021 1 973 . 1 1 77 77 ALA HB3 H 1 1.390 0.01 . . . . . . A 79 ALA HB3 . 26021 1 974 . 1 1 77 77 ALA C C 13 181.193 0.2 . . . . . . A 79 ALA C . 26021 1 975 . 1 1 77 77 ALA CA C 13 55.055 0.2 . . . . . . A 79 ALA CA . 26021 1 976 . 1 1 77 77 ALA CB C 13 18.420 0.2 . . . . . . A 79 ALA CB . 26021 1 977 . 1 1 77 77 ALA N N 15 120.171 0.1 . . . . . . A 79 ALA N . 26021 1 978 . 1 1 78 78 VAL H H 1 8.635 0.01 . . . . . . A 80 VAL H . 26021 1 979 . 1 1 78 78 VAL HA H 1 3.677 0.01 . . . . . . A 80 VAL HA . 26021 1 980 . 1 1 78 78 VAL HB H 1 2.247 0.01 . . . . . . A 80 VAL HB . 26021 1 981 . 1 1 78 78 VAL HG11 H 1 1.017 0.01 . . . . . . A 80 VAL HG11 . 26021 1 982 . 1 1 78 78 VAL HG12 H 1 1.017 0.01 . . . . . . A 80 VAL HG12 . 26021 1 983 . 1 1 78 78 VAL HG13 H 1 1.017 0.01 . . . . . . A 80 VAL HG13 . 26021 1 984 . 1 1 78 78 VAL HG21 H 1 0.965 0.01 . . . . . . A 80 VAL HG21 . 26021 1 985 . 1 1 78 78 VAL HG22 H 1 0.965 0.01 . . . . . . A 80 VAL HG22 . 26021 1 986 . 1 1 78 78 VAL HG23 H 1 0.965 0.01 . . . . . . A 80 VAL HG23 . 26021 1 987 . 1 1 78 78 VAL C C 13 177.096 0.2 . . . . . . A 80 VAL C . 26021 1 988 . 1 1 78 78 VAL CA C 13 67.084 0.2 . . . . . . A 80 VAL CA . 26021 1 989 . 1 1 78 78 VAL CB C 13 31.443 0.2 . . . . . . A 80 VAL CB . 26021 1 990 . 1 1 78 78 VAL CG1 C 13 23.958 0.2 . . . . . . A 80 VAL CG1 . 26021 1 991 . 1 1 78 78 VAL CG2 C 13 21.877 0.2 . . . . . . A 80 VAL CG2 . 26021 1 992 . 1 1 78 78 VAL N N 15 119.541 0.1 . . . . . . A 80 VAL N . 26021 1 993 . 1 1 79 79 ASP H H 1 8.575 0.01 . . . . . . A 81 ASP H . 26021 1 994 . 1 1 79 79 ASP HA H 1 4.469 0.01 . . . . . . A 81 ASP HA . 26021 1 995 . 1 1 79 79 ASP HB2 H 1 2.893 0.01 . . . . . . A 81 ASP HB2 . 26021 1 996 . 1 1 79 79 ASP HB3 H 1 2.636 0.01 . . . . . . A 81 ASP HB3 . 26021 1 997 . 1 1 79 79 ASP C C 13 179.569 0.2 . . . . . . A 81 ASP C . 26021 1 998 . 1 1 79 79 ASP CA C 13 57.929 0.2 . . . . . . A 81 ASP CA . 26021 1 999 . 1 1 79 79 ASP CB C 13 39.935 0.2 . . . . . . A 81 ASP CB . 26021 1 1000 . 1 1 79 79 ASP N N 15 121.140 0.1 . . . . . . A 81 ASP N . 26021 1 1001 . 1 1 80 80 LYS H H 1 8.079 0.01 . . . . . . A 82 LYS H . 26021 1 1002 . 1 1 80 80 LYS HA H 1 4.021 0.01 . . . . . . A 82 LYS HA . 26021 1 1003 . 1 1 80 80 LYS HB2 H 1 1.845 0.01 . . . . . . A 82 LYS HB2 . 26021 1 1004 . 1 1 80 80 LYS HB3 H 1 1.784 0.01 . . . . . . A 82 LYS HB3 . 26021 1 1005 . 1 1 80 80 LYS HG2 H 1 1.391 0.01 . . . . . . A 82 LYS HG2 . 26021 1 1006 . 1 1 80 80 LYS HG3 H 1 1.618 0.01 . . . . . . A 82 LYS HG3 . 26021 1 1007 . 1 1 80 80 LYS HD2 H 1 1.703 0.01 . . . . . . A 82 LYS HD2 . 26021 1 1008 . 1 1 80 80 LYS HD3 H 1 1.581 0.01 . . . . . . A 82 LYS HD3 . 26021 1 1009 . 1 1 80 80 LYS HE2 H 1 2.918 0.01 . . . . . . A 82 LYS HE2 . 26021 1 1010 . 1 1 80 80 LYS HE3 H 1 2.918 0.01 . . . . . . A 82 LYS HE3 . 26021 1 1011 . 1 1 80 80 LYS C C 13 178.890 0.2 . . . . . . A 82 LYS C . 26021 1 1012 . 1 1 80 80 LYS CA C 13 59.067 0.2 . . . . . . A 82 LYS CA . 26021 1 1013 . 1 1 80 80 LYS CB C 13 32.587 0.2 . . . . . . A 82 LYS CB . 26021 1 1014 . 1 1 80 80 LYS CG C 13 26.146 0.2 . . . . . . A 82 LYS CG . 26021 1 1015 . 1 1 80 80 LYS CD C 13 28.973 0.2 . . . . . . A 82 LYS CD . 26021 1 1016 . 1 1 80 80 LYS N N 15 118.159 0.1 . . . . . . A 82 LYS N . 26021 1 1017 . 1 1 81 81 PHE H H 1 8.015 0.01 . . . . . . A 83 PHE H . 26021 1 1018 . 1 1 81 81 PHE HA H 1 4.276 0.01 . . . . . . A 83 PHE HA . 26021 1 1019 . 1 1 81 81 PHE HB2 H 1 3.333 0.01 . . . . . . A 83 PHE HB2 . 26021 1 1020 . 1 1 81 81 PHE HB3 H 1 3.296 0.01 . . . . . . A 83 PHE HB3 . 26021 1 1021 . 1 1 81 81 PHE HD1 H 1 7.199 0.01 . . . . . . A 83 PHE HD1 . 26021 1 1022 . 1 1 81 81 PHE HD2 H 1 7.199 0.01 . . . . . . A 83 PHE HD2 . 26021 1 1023 . 1 1 81 81 PHE HE1 H 1 7.216 0.01 . . . . . . A 83 PHE HE1 . 26021 1 1024 . 1 1 81 81 PHE HE2 H 1 7.216 0.01 . . . . . . A 83 PHE HE2 . 26021 1 1025 . 1 1 81 81 PHE HZ H 1 7.215 0.01 . . . . . . A 83 PHE HZ . 26021 1 1026 . 1 1 81 81 PHE C C 13 177.269 0.2 . . . . . . A 83 PHE C . 26021 1 1027 . 1 1 81 81 PHE CA C 13 60.943 0.2 . . . . . . A 83 PHE CA . 26021 1 1028 . 1 1 81 81 PHE CB C 13 39.747 0.2 . . . . . . A 83 PHE CB . 26021 1 1029 . 1 1 81 81 PHE CD1 C 13 131.633 0.2 . . . . . . A 83 PHE CD1 . 26021 1 1030 . 1 1 81 81 PHE CE1 C 13 131.150 0.2 . . . . . . A 83 PHE CE1 . 26021 1 1031 . 1 1 81 81 PHE CZ C 13 129.909 0.2 . . . . . . A 83 PHE CZ . 26021 1 1032 . 1 1 81 81 PHE N N 15 120.900 0.1 . . . . . . A 83 PHE N . 26021 1 1033 . 1 1 82 82 LEU H H 1 8.338 0.01 . . . . . . A 84 LEU H . 26021 1 1034 . 1 1 82 82 LEU HA H 1 3.942 0.01 . . . . . . A 84 LEU HA . 26021 1 1035 . 1 1 82 82 LEU HB2 H 1 1.992 0.01 . . . . . . A 84 LEU HB2 . 26021 1 1036 . 1 1 82 82 LEU HB3 H 1 1.544 0.01 . . . . . . A 84 LEU HB3 . 26021 1 1037 . 1 1 82 82 LEU HG H 1 1.911 0.01 . . . . . . A 84 LEU HG . 26021 1 1038 . 1 1 82 82 LEU HD11 H 1 0.958 0.01 . . . . . . A 84 LEU HD11 . 26021 1 1039 . 1 1 82 82 LEU HD12 H 1 0.958 0.01 . . . . . . A 84 LEU HD12 . 26021 1 1040 . 1 1 82 82 LEU HD13 H 1 0.958 0.01 . . . . . . A 84 LEU HD13 . 26021 1 1041 . 1 1 82 82 LEU HD21 H 1 0.817 0.01 . . . . . . A 84 LEU HD21 . 26021 1 1042 . 1 1 82 82 LEU HD22 H 1 0.817 0.01 . . . . . . A 84 LEU HD22 . 26021 1 1043 . 1 1 82 82 LEU HD23 H 1 0.817 0.01 . . . . . . A 84 LEU HD23 . 26021 1 1044 . 1 1 82 82 LEU C C 13 178.774 0.2 . . . . . . A 84 LEU C . 26021 1 1045 . 1 1 82 82 LEU CA C 13 57.170 0.2 . . . . . . A 84 LEU CA . 26021 1 1046 . 1 1 82 82 LEU CB C 13 42.193 0.2 . . . . . . A 84 LEU CB . 26021 1 1047 . 1 1 82 82 LEU CG C 13 27.178 0.2 . . . . . . A 84 LEU CG . 26021 1 1048 . 1 1 82 82 LEU CD1 C 13 25.719 0.2 . . . . . . A 84 LEU CD1 . 26021 1 1049 . 1 1 82 82 LEU CD2 C 13 23.170 0.2 . . . . . . A 84 LEU CD2 . 26021 1 1050 . 1 1 82 82 LEU N N 15 118.209 0.1 . . . . . . A 84 LEU N . 26021 1 1051 . 1 1 83 83 VAL H H 1 7.447 0.01 . . . . . . A 85 VAL H . 26021 1 1052 . 1 1 83 83 VAL HA H 1 3.991 0.01 . . . . . . A 85 VAL HA . 26021 1 1053 . 1 1 83 83 VAL HB H 1 2.204 0.01 . . . . . . A 85 VAL HB . 26021 1 1054 . 1 1 83 83 VAL HG11 H 1 0.950 0.01 . . . . . . A 85 VAL HG11 . 26021 1 1055 . 1 1 83 83 VAL HG12 H 1 0.950 0.01 . . . . . . A 85 VAL HG12 . 26021 1 1056 . 1 1 83 83 VAL HG13 H 1 0.950 0.01 . . . . . . A 85 VAL HG13 . 26021 1 1057 . 1 1 83 83 VAL HG21 H 1 1.046 0.01 . . . . . . A 85 VAL HG21 . 26021 1 1058 . 1 1 83 83 VAL HG22 H 1 1.046 0.01 . . . . . . A 85 VAL HG22 . 26021 1 1059 . 1 1 83 83 VAL HG23 H 1 1.046 0.01 . . . . . . A 85 VAL HG23 . 26021 1 1060 . 1 1 83 83 VAL C C 13 177.252 0.2 . . . . . . A 85 VAL C . 26021 1 1061 . 1 1 83 83 VAL CA C 13 64.180 0.2 . . . . . . A 85 VAL CA . 26021 1 1062 . 1 1 83 83 VAL CB C 13 31.890 0.2 . . . . . . A 85 VAL CB . 26021 1 1063 . 1 1 83 83 VAL CG1 C 13 21.064 0.2 . . . . . . A 85 VAL CG1 . 26021 1 1064 . 1 1 83 83 VAL CG2 C 13 21.436 0.2 . . . . . . A 85 VAL CG2 . 26021 1 1065 . 1 1 83 83 VAL N N 15 116.078 0.1 . . . . . . A 85 VAL N . 26021 1 1066 . 1 1 84 84 ARG H H 1 7.598 0.01 . . . . . . A 86 ARG H . 26021 1 1067 . 1 1 84 84 ARG HA H 1 4.227 0.01 . . . . . . A 86 ARG HA . 26021 1 1068 . 1 1 84 84 ARG HB2 H 1 1.809 0.01 . . . . . . A 86 ARG HB2 . 26021 1 1069 . 1 1 84 84 ARG HB3 H 1 1.809 0.01 . . . . . . A 86 ARG HB3 . 26021 1 1070 . 1 1 84 84 ARG HG2 H 1 1.642 0.01 . . . . . . A 86 ARG HG2 . 26021 1 1071 . 1 1 84 84 ARG HG3 H 1 1.591 0.01 . . . . . . A 86 ARG HG3 . 26021 1 1072 . 1 1 84 84 ARG HD2 H 1 3.141 0.01 . . . . . . A 86 ARG HD2 . 26021 1 1073 . 1 1 84 84 ARG HD3 H 1 3.141 0.01 . . . . . . A 86 ARG HD3 . 26021 1 1074 . 1 1 84 84 ARG C C 13 177.520 0.2 . . . . . . A 86 ARG C . 26021 1 1075 . 1 1 84 84 ARG CA C 13 57.059 0.2 . . . . . . A 86 ARG CA . 26021 1 1076 . 1 1 84 84 ARG CB C 13 30.263 0.2 . . . . . . A 86 ARG CB . 26021 1 1077 . 1 1 84 84 ARG CG C 13 27.384 0.2 . . . . . . A 86 ARG CG . 26021 1 1078 . 1 1 84 84 ARG CD C 13 43.294 0.2 . . . . . . A 86 ARG CD . 26021 1 1079 . 1 1 84 84 ARG N N 15 120.842 0.1 . . . . . . A 86 ARG N . 26021 1 1080 . 1 1 85 85 VAL H H 1 7.994 0.01 . . . . . . A 87 VAL H . 26021 1 1081 . 1 1 85 85 VAL HA H 1 3.825 0.01 . . . . . . A 87 VAL HA . 26021 1 1082 . 1 1 85 85 VAL HB H 1 1.794 0.01 . . . . . . A 87 VAL HB . 26021 1 1083 . 1 1 85 85 VAL HG11 H 1 0.670 0.01 . . . . . . A 87 VAL HG11 . 26021 1 1084 . 1 1 85 85 VAL HG12 H 1 0.670 0.01 . . . . . . A 87 VAL HG12 . 26021 1 1085 . 1 1 85 85 VAL HG13 H 1 0.670 0.01 . . . . . . A 87 VAL HG13 . 26021 1 1086 . 1 1 85 85 VAL HG21 H 1 0.603 0.01 . . . . . . A 87 VAL HG21 . 26021 1 1087 . 1 1 85 85 VAL HG22 H 1 0.603 0.01 . . . . . . A 87 VAL HG22 . 26021 1 1088 . 1 1 85 85 VAL HG23 H 1 0.603 0.01 . . . . . . A 87 VAL HG23 . 26021 1 1089 . 1 1 85 85 VAL C C 13 176.121 0.2 . . . . . . A 87 VAL C . 26021 1 1090 . 1 1 85 85 VAL CA C 13 63.438 0.2 . . . . . . A 87 VAL CA . 26021 1 1091 . 1 1 85 85 VAL CB C 13 31.772 0.2 . . . . . . A 87 VAL CB . 26021 1 1092 . 1 1 85 85 VAL CG1 C 13 21.042 0.2 . . . . . . A 87 VAL CG1 . 26021 1 1093 . 1 1 85 85 VAL CG2 C 13 20.688 0.2 . . . . . . A 87 VAL CG2 . 26021 1 1094 . 1 1 85 85 VAL N N 15 119.293 0.1 . . . . . . A 87 VAL N . 26021 1 1095 . 1 1 86 86 HIS H H 1 7.969 0.01 . . . . . . A 88 HIS H . 26021 1 1096 . 1 1 86 86 HIS HA H 1 4.637 0.01 . . . . . . A 88 HIS HA . 26021 1 1097 . 1 1 86 86 HIS HB2 H 1 3.285 0.01 . . . . . . A 88 HIS HB2 . 26021 1 1098 . 1 1 86 86 HIS HB3 H 1 3.080 0.01 . . . . . . A 88 HIS HB3 . 26021 1 1099 . 1 1 86 86 HIS HD2 H 1 7.165 0.01 . . . . . . A 88 HIS HD2 . 26021 1 1100 . 1 1 86 86 HIS HE1 H 1 8.149 0.01 . . . . . . A 88 HIS HE1 . 26021 1 1101 . 1 1 86 86 HIS C C 13 175.639 0.2 . . . . . . A 88 HIS C . 26021 1 1102 . 1 1 86 86 HIS CA C 13 56.351 0.2 . . . . . . A 88 HIS CA . 26021 1 1103 . 1 1 86 86 HIS CB C 13 29.681 0.2 . . . . . . A 88 HIS CB . 26021 1 1104 . 1 1 86 86 HIS CD2 C 13 120.113 0.2 . . . . . . A 88 HIS CD2 . 26021 1 1105 . 1 1 86 86 HIS CE1 C 13 137.556 0.2 . . . . . . A 88 HIS CE1 . 26021 1 1106 . 1 1 86 86 HIS N N 15 120.016 0.1 . . . . . . A 88 HIS N . 26021 1 1107 . 1 1 87 87 GLY H H 1 8.083 0.01 . . . . . . A 89 GLY H . 26021 1 1108 . 1 1 87 87 GLY HA2 H 1 4.091 0.01 . . . . . . A 89 GLY HA2 . 26021 1 1109 . 1 1 87 87 GLY HA3 H 1 3.934 0.01 . . . . . . A 89 GLY HA3 . 26021 1 1110 . 1 1 87 87 GLY C C 13 173.730 0.2 . . . . . . A 89 GLY C . 26021 1 1111 . 1 1 87 87 GLY CA C 13 45.169 0.2 . . . . . . A 89 GLY CA . 26021 1 1112 . 1 1 87 87 GLY N N 15 109.587 0.1 . . . . . . A 89 GLY N . 26021 1 1113 . 1 1 88 88 VAL H H 1 7.944 0.01 . . . . . . A 90 VAL H . 26021 1 1114 . 1 1 88 88 VAL HA H 1 4.138 0.01 . . . . . . A 90 VAL HA . 26021 1 1115 . 1 1 88 88 VAL HB H 1 2.139 0.01 . . . . . . A 90 VAL HB . 26021 1 1116 . 1 1 88 88 VAL HG11 H 1 0.987 0.01 . . . . . . A 90 VAL HG11 . 26021 1 1117 . 1 1 88 88 VAL HG12 H 1 0.987 0.01 . . . . . . A 90 VAL HG12 . 26021 1 1118 . 1 1 88 88 VAL HG13 H 1 0.987 0.01 . . . . . . A 90 VAL HG13 . 26021 1 1119 . 1 1 88 88 VAL HG21 H 1 0.914 0.01 . . . . . . A 90 VAL HG21 . 26021 1 1120 . 1 1 88 88 VAL HG22 H 1 0.914 0.01 . . . . . . A 90 VAL HG22 . 26021 1 1121 . 1 1 88 88 VAL HG23 H 1 0.914 0.01 . . . . . . A 90 VAL HG23 . 26021 1 1122 . 1 1 88 88 VAL C C 13 176.018 0.2 . . . . . . A 90 VAL C . 26021 1 1123 . 1 1 88 88 VAL CA C 13 62.425 0.2 . . . . . . A 90 VAL CA . 26021 1 1124 . 1 1 88 88 VAL CB C 13 32.616 0.2 . . . . . . A 90 VAL CB . 26021 1 1125 . 1 1 88 88 VAL CG1 C 13 21.333 0.2 . . . . . . A 90 VAL CG1 . 26021 1 1126 . 1 1 88 88 VAL CG2 C 13 20.367 0.2 . . . . . . A 90 VAL CG2 . 26021 1 1127 . 1 1 88 88 VAL N N 15 118.224 0.1 . . . . . . A 90 VAL N . 26021 1 1128 . 1 1 89 89 GLU H H 1 8.423 0.01 . . . . . . A 91 GLU H . 26021 1 1129 . 1 1 89 89 GLU HA H 1 4.606 0.01 . . . . . . A 91 GLU HA . 26021 1 1130 . 1 1 89 89 GLU HB2 H 1 2.064 0.01 . . . . . . A 91 GLU HB2 . 26021 1 1131 . 1 1 89 89 GLU HB3 H 1 1.882 0.01 . . . . . . A 91 GLU HB3 . 26021 1 1132 . 1 1 89 89 GLU HG2 H 1 2.286 0.01 . . . . . . A 91 GLU HG2 . 26021 1 1133 . 1 1 89 89 GLU HG3 H 1 2.286 0.01 . . . . . . A 91 GLU HG3 . 26021 1 1134 . 1 1 89 89 GLU CA C 13 54.176 0.2 . . . . . . A 91 GLU CA . 26021 1 1135 . 1 1 89 89 GLU CB C 13 29.760 0.2 . . . . . . A 91 GLU CB . 26021 1 1136 . 1 1 89 89 GLU CG C 13 35.861 0.2 . . . . . . A 91 GLU CG . 26021 1 1137 . 1 1 89 89 GLU N N 15 124.313 0.1 . . . . . . A 91 GLU N . 26021 1 1138 . 1 1 90 90 PRO HA H 1 4.337 0.01 . . . . . . A 92 PRO HA . 26021 1 1139 . 1 1 90 90 PRO HB2 H 1 2.200 0.01 . . . . . . A 92 PRO HB2 . 26021 1 1140 . 1 1 90 90 PRO HB3 H 1 1.908 0.01 . . . . . . A 92 PRO HB3 . 26021 1 1141 . 1 1 90 90 PRO HG2 H 1 2.007 0.01 . . . . . . A 92 PRO HG2 . 26021 1 1142 . 1 1 90 90 PRO HG3 H 1 1.933 0.01 . . . . . . A 92 PRO HG3 . 26021 1 1143 . 1 1 90 90 PRO HD2 H 1 3.700 0.01 . . . . . . A 92 PRO HD2 . 26021 1 1144 . 1 1 90 90 PRO HD3 H 1 3.744 0.01 . . . . . . A 92 PRO HD3 . 26021 1 1145 . 1 1 90 90 PRO C C 13 176.504 0.2 . . . . . . A 92 PRO C . 26021 1 1146 . 1 1 90 90 PRO CA C 13 63.372 0.2 . . . . . . A 92 PRO CA . 26021 1 1147 . 1 1 90 90 PRO CB C 13 32.167 0.2 . . . . . . A 92 PRO CB . 26021 1 1148 . 1 1 90 90 PRO CG C 13 27.396 0.2 . . . . . . A 92 PRO CG . 26021 1 1149 . 1 1 90 90 PRO CD C 13 50.561 0.2 . . . . . . A 92 PRO CD . 26021 1 1150 . 1 1 91 91 ASP H H 1 8.286 0.01 . . . . . . A 93 ASP H . 26021 1 1151 . 1 1 91 91 ASP HA H 1 4.572 0.01 . . . . . . A 93 ASP HA . 26021 1 1152 . 1 1 91 91 ASP HB2 H 1 2.702 0.01 . . . . . . A 93 ASP HB2 . 26021 1 1153 . 1 1 91 91 ASP HB3 H 1 2.653 0.01 . . . . . . A 93 ASP HB3 . 26021 1 1154 . 1 1 91 91 ASP CA C 13 53.970 0.2 . . . . . . A 93 ASP CA . 26021 1 1155 . 1 1 91 91 ASP CB C 13 41.515 0.2 . . . . . . A 93 ASP CB . 26021 1 1156 . 1 1 91 91 ASP N N 15 120.275 0.1 . . . . . . A 93 ASP N . 26021 1 1157 . 1 1 92 92 ASP H H 1 8.259 0.01 . . . . . . A 94 ASP H . 26021 1 1158 . 1 1 92 92 ASP HA H 1 4.565 0.01 . . . . . . A 94 ASP HA . 26021 1 1159 . 1 1 92 92 ASP HB2 H 1 2.742 0.01 . . . . . . A 94 ASP HB2 . 26021 1 1160 . 1 1 92 92 ASP HB3 H 1 2.666 0.01 . . . . . . A 94 ASP HB3 . 26021 1 1161 . 1 1 92 92 ASP C C 13 176.474 0.2 . . . . . . A 94 ASP C . 26021 1 1162 . 1 1 92 92 ASP CA C 13 54.373 0.2 . . . . . . A 94 ASP CA . 26021 1 1163 . 1 1 92 92 ASP CB C 13 41.225 0.2 . . . . . . A 94 ASP CB . 26021 1 1164 . 1 1 92 92 ASP N N 15 121.181 0.1 . . . . . . A 94 ASP N . 26021 1 1165 . 1 1 93 93 ASN H H 1 8.474 0.01 . . . . . . A 95 ASN H . 26021 1 1166 . 1 1 93 93 ASN HA H 1 4.694 0.01 . . . . . . A 95 ASN HA . 26021 1 1167 . 1 1 93 93 ASN HB2 H 1 2.872 0.01 . . . . . . A 95 ASN HB2 . 26021 1 1168 . 1 1 93 93 ASN HB3 H 1 2.810 0.01 . . . . . . A 95 ASN HB3 . 26021 1 1169 . 1 1 93 93 ASN HD21 H 1 7.609 0.01 . . . . . . A 95 ASN HD21 . 26021 1 1170 . 1 1 93 93 ASN HD22 H 1 6.845 0.01 . . . . . . A 95 ASN HD22 . 26021 1 1171 . 1 1 93 93 ASN C C 13 176.272 0.2 . . . . . . A 95 ASN C . 26021 1 1172 . 1 1 93 93 ASN CA C 13 53.986 0.2 . . . . . . A 95 ASN CA . 26021 1 1173 . 1 1 93 93 ASN CB C 13 38.729 0.2 . . . . . . A 95 ASN CB . 26021 1 1174 . 1 1 93 93 ASN N N 15 118.728 0.1 . . . . . . A 95 ASN N . 26021 1 1175 . 1 1 93 93 ASN ND2 N 15 112.922 0.1 . . . . . . A 95 ASN ND2 . 26021 1 1176 . 1 1 94 94 THR H H 1 8.263 0.01 . . . . . . A 96 THR H . 26021 1 1177 . 1 1 94 94 THR HA H 1 4.220 0.01 . . . . . . A 96 THR HA . 26021 1 1178 . 1 1 94 94 THR HB H 1 4.235 0.01 . . . . . . A 96 THR HB . 26021 1 1179 . 1 1 94 94 THR HG21 H 1 1.157 0.01 . . . . . . A 96 THR HG21 . 26021 1 1180 . 1 1 94 94 THR HG22 H 1 1.157 0.01 . . . . . . A 96 THR HG22 . 26021 1 1181 . 1 1 94 94 THR HG23 H 1 1.157 0.01 . . . . . . A 96 THR HG23 . 26021 1 1182 . 1 1 94 94 THR C C 13 175.107 0.2 . . . . . . A 96 THR C . 26021 1 1183 . 1 1 94 94 THR CA C 13 63.200 0.2 . . . . . . A 96 THR CA . 26021 1 1184 . 1 1 94 94 THR CB C 13 69.475 0.2 . . . . . . A 96 THR CB . 26021 1 1185 . 1 1 94 94 THR CG2 C 13 21.671 0.2 . . . . . . A 96 THR CG2 . 26021 1 1186 . 1 1 94 94 THR N N 15 113.868 0.1 . . . . . . A 96 THR N . 26021 1 1187 . 1 1 95 95 ASN H H 1 8.431 0.01 . . . . . . A 97 ASN H . 26021 1 1188 . 1 1 95 95 ASN HA H 1 4.616 0.01 . . . . . . A 97 ASN HA . 26021 1 1189 . 1 1 95 95 ASN HB2 H 1 2.864 0.01 . . . . . . A 97 ASN HB2 . 26021 1 1190 . 1 1 95 95 ASN HB3 H 1 2.685 0.01 . . . . . . A 97 ASN HB3 . 26021 1 1191 . 1 1 95 95 ASN HD21 H 1 7.031 0.01 . . . . . . A 97 ASN HD21 . 26021 1 1192 . 1 1 95 95 ASN HD22 H 1 7.739 0.01 . . . . . . A 97 ASN HD22 . 26021 1 1193 . 1 1 95 95 ASN C C 13 176.275 0.2 . . . . . . A 97 ASN C . 26021 1 1194 . 1 1 95 95 ASN CA C 13 53.956 0.2 . . . . . . A 97 ASN CA . 26021 1 1195 . 1 1 95 95 ASN CB C 13 38.692 0.2 . . . . . . A 97 ASN CB . 26021 1 1196 . 1 1 95 95 ASN N N 15 119.954 0.1 . . . . . . A 97 ASN N . 26021 1 1197 . 1 1 95 95 ASN ND2 N 15 113.644 0.1 . . . . . . A 97 ASN ND2 . 26021 1 1198 . 1 1 96 96 GLY H H 1 8.338 0.01 . . . . . . A 98 GLY H . 26021 1 1199 . 1 1 96 96 GLY HA2 H 1 3.934 0.01 . . . . . . A 98 GLY HA2 . 26021 1 1200 . 1 1 96 96 GLY HA3 H 1 3.783 0.01 . . . . . . A 98 GLY HA3 . 26021 1 1201 . 1 1 96 96 GLY C C 13 175.533 0.2 . . . . . . A 98 GLY C . 26021 1 1202 . 1 1 96 96 GLY CA C 13 46.011 0.2 . . . . . . A 98 GLY CA . 26021 1 1203 . 1 1 96 96 GLY N N 15 108.847 0.1 . . . . . . A 98 GLY N . 26021 1 1204 . 1 1 97 97 PHE H H 1 8.370 0.01 . . . . . . A 99 PHE H . 26021 1 1205 . 1 1 97 97 PHE HA H 1 4.248 0.01 . . . . . . A 99 PHE HA . 26021 1 1206 . 1 1 97 97 PHE HB2 H 1 2.987 0.01 . . . . . . A 99 PHE HB2 . 26021 1 1207 . 1 1 97 97 PHE HB3 H 1 3.024 0.01 . . . . . . A 99 PHE HB3 . 26021 1 1208 . 1 1 97 97 PHE HD1 H 1 6.991 0.01 . . . . . . A 99 PHE HD1 . 26021 1 1209 . 1 1 97 97 PHE HD2 H 1 6.991 0.01 . . . . . . A 99 PHE HD2 . 26021 1 1210 . 1 1 97 97 PHE HE1 H 1 6.615 0.01 . . . . . . A 99 PHE HE1 . 26021 1 1211 . 1 1 97 97 PHE HE2 H 1 6.615 0.01 . . . . . . A 99 PHE HE2 . 26021 1 1212 . 1 1 97 97 PHE HZ H 1 6.547 0.01 . . . . . . A 99 PHE HZ . 26021 1 1213 . 1 1 97 97 PHE CA C 13 60.959 0.2 . . . . . . A 99 PHE CA . 26021 1 1214 . 1 1 97 97 PHE CB C 13 38.159 0.2 . . . . . . A 99 PHE CB . 26021 1 1215 . 1 1 97 97 PHE CD1 C 13 130.856 0.2 . . . . . . A 99 PHE CD1 . 26021 1 1216 . 1 1 97 97 PHE CE1 C 13 130.425 0.2 . . . . . . A 99 PHE CE1 . 26021 1 1217 . 1 1 97 97 PHE CZ C 13 128.778 0.2 . . . . . . A 99 PHE CZ . 26021 1 1218 . 1 1 97 97 PHE N N 15 118.492 0.1 . . . . . . A 99 PHE N . 26021 1 1219 . 1 1 98 98 LYS H H 1 8.256 0.01 . . . . . . A 100 LYS H . 26021 1 1220 . 1 1 98 98 LYS N N 15 120.987 0.1 . . . . . . A 100 LYS N . 26021 1 1221 . 1 1 99 99 GLY H H 1 8.300 0.01 . . . . . . A 101 GLY H . 26021 1 1222 . 1 1 99 99 GLY HA2 H 1 3.853 0.01 . . . . . . A 101 GLY HA2 . 26021 1 1223 . 1 1 99 99 GLY HA3 H 1 3.963 0.01 . . . . . . A 101 GLY HA3 . 26021 1 1224 . 1 1 99 99 GLY C C 13 177.075 0.2 . . . . . . A 101 GLY C . 26021 1 1225 . 1 1 99 99 GLY CA C 13 46.902 0.2 . . . . . . A 101 GLY CA . 26021 1 1226 . 1 1 99 99 GLY N N 15 108.186 0.1 . . . . . . A 101 GLY N . 26021 1 1227 . 1 1 100 100 LEU H H 1 7.777 0.01 . . . . . . A 102 LEU H . 26021 1 1228 . 1 1 100 100 LEU HA H 1 4.097 0.01 . . . . . . A 102 LEU HA . 26021 1 1229 . 1 1 100 100 LEU HB2 H 1 1.288 0.01 . . . . . . A 102 LEU HB2 . 26021 1 1230 . 1 1 100 100 LEU HD11 H 1 0.779 0.01 . . . . . . A 102 LEU HD11 . 26021 1 1231 . 1 1 100 100 LEU HD12 H 1 0.779 0.01 . . . . . . A 102 LEU HD12 . 26021 1 1232 . 1 1 100 100 LEU HD13 H 1 0.779 0.01 . . . . . . A 102 LEU HD13 . 26021 1 1233 . 1 1 100 100 LEU HD21 H 1 0.773 0.01 . . . . . . A 102 LEU HD21 . 26021 1 1234 . 1 1 100 100 LEU HD22 H 1 0.773 0.01 . . . . . . A 102 LEU HD22 . 26021 1 1235 . 1 1 100 100 LEU HD23 H 1 0.773 0.01 . . . . . . A 102 LEU HD23 . 26021 1 1236 . 1 1 100 100 LEU C C 13 179.836 0.2 . . . . . . A 102 LEU C . 26021 1 1237 . 1 1 100 100 LEU CA C 13 57.358 0.2 . . . . . . A 102 LEU CA . 26021 1 1238 . 1 1 100 100 LEU CB C 13 41.770 0.2 . . . . . . A 102 LEU CB . 26021 1 1239 . 1 1 100 100 LEU CD1 C 13 25.571 0.2 . . . . . . A 102 LEU CD1 . 26021 1 1240 . 1 1 100 100 LEU CD2 C 13 22.876 0.2 . . . . . . A 102 LEU CD2 . 26021 1 1241 . 1 1 100 100 LEU N N 15 121.439 0.1 . . . . . . A 102 LEU N . 26021 1 1242 . 1 1 101 101 MET H H 1 8.409 0.01 . . . . . . A 103 MET H . 26021 1 1243 . 1 1 101 101 MET HA H 1 4.220 0.01 . . . . . . A 103 MET HA . 26021 1 1244 . 1 1 101 101 MET HB2 H 1 2.555 0.01 . . . . . . A 103 MET HB2 . 26021 1 1245 . 1 1 101 101 MET HB3 H 1 2.555 0.01 . . . . . . A 103 MET HB3 . 26021 1 1246 . 1 1 101 101 MET HG2 H 1 2.438 0.01 . . . . . . A 103 MET HG2 . 26021 1 1247 . 1 1 101 101 MET HG3 H 1 2.163 0.01 . . . . . . A 103 MET HG3 . 26021 1 1248 . 1 1 101 101 MET HE1 H 1 2.068 0.01 . . . . . . A 103 MET HE1 . 26021 1 1249 . 1 1 101 101 MET HE2 H 1 2.068 0.01 . . . . . . A 103 MET HE2 . 26021 1 1250 . 1 1 101 101 MET HE3 H 1 2.068 0.01 . . . . . . A 103 MET HE3 . 26021 1 1251 . 1 1 101 101 MET C C 13 177.739 0.2 . . . . . . A 103 MET C . 26021 1 1252 . 1 1 101 101 MET CA C 13 58.739 0.2 . . . . . . A 103 MET CA . 26021 1 1253 . 1 1 101 101 MET CB C 13 31.895 0.2 . . . . . . A 103 MET CB . 26021 1 1254 . 1 1 101 101 MET CG C 13 31.895 0.2 . . . . . . A 103 MET CG . 26021 1 1255 . 1 1 101 101 MET CE C 13 17.536 0.2 . . . . . . A 103 MET CE . 26021 1 1256 . 1 1 101 101 MET N N 15 122.290 0.1 . . . . . . A 103 MET N . 26021 1 1257 . 1 1 102 102 LYS H H 1 7.916 0.01 . . . . . . A 104 LYS H . 26021 1 1258 . 1 1 102 102 LYS HA H 1 4.067 0.01 . . . . . . A 104 LYS HA . 26021 1 1259 . 1 1 102 102 LYS HB2 H 1 1.995 0.01 . . . . . . A 104 LYS HB2 . 26021 1 1260 . 1 1 102 102 LYS HB3 H 1 1.999 0.01 . . . . . . A 104 LYS HB3 . 26021 1 1261 . 1 1 102 102 LYS HG2 H 1 1.492 0.01 . . . . . . A 104 LYS HG2 . 26021 1 1262 . 1 1 102 102 LYS HG3 H 1 1.420 0.01 . . . . . . A 104 LYS HG3 . 26021 1 1263 . 1 1 102 102 LYS HD2 H 1 1.710 0.01 . . . . . . A 104 LYS HD2 . 26021 1 1264 . 1 1 102 102 LYS HD3 H 1 1.629 0.01 . . . . . . A 104 LYS HD3 . 26021 1 1265 . 1 1 102 102 LYS HE2 H 1 3.022 0.01 . . . . . . A 104 LYS HE2 . 26021 1 1266 . 1 1 102 102 LYS HE3 H 1 3.022 0.01 . . . . . . A 104 LYS HE3 . 26021 1 1267 . 1 1 102 102 LYS C C 13 179.301 0.2 . . . . . . A 104 LYS C . 26021 1 1268 . 1 1 102 102 LYS CA C 13 59.764 0.2 . . . . . . A 104 LYS CA . 26021 1 1269 . 1 1 102 102 LYS CB C 13 32.047 0.2 . . . . . . A 104 LYS CB . 26021 1 1270 . 1 1 102 102 LYS CG C 13 25.204 0.2 . . . . . . A 104 LYS CG . 26021 1 1271 . 1 1 102 102 LYS CD C 13 29.277 0.2 . . . . . . A 104 LYS CD . 26021 1 1272 . 1 1 102 102 LYS CE C 13 42.339 0.2 . . . . . . A 104 LYS CE . 26021 1 1273 . 1 1 102 102 LYS N N 15 119.750 0.1 . . . . . . A 104 LYS N . 26021 1 1274 . 1 1 103 103 ARG H H 1 7.719 0.01 . . . . . . A 105 ARG H . 26021 1 1275 . 1 1 103 103 ARG HA H 1 4.026 0.01 . . . . . . A 105 ARG HA . 26021 1 1276 . 1 1 103 103 ARG HB2 H 1 1.918 0.01 . . . . . . A 105 ARG HB2 . 26021 1 1277 . 1 1 103 103 ARG HB3 H 1 1.918 0.01 . . . . . . A 105 ARG HB3 . 26021 1 1278 . 1 1 103 103 ARG HG2 H 1 1.634 0.01 . . . . . . A 105 ARG HG2 . 26021 1 1279 . 1 1 103 103 ARG HG3 H 1 1.634 0.01 . . . . . . A 105 ARG HG3 . 26021 1 1280 . 1 1 103 103 ARG HD2 H 1 2.943 0.01 . . . . . . A 105 ARG HD2 . 26021 1 1281 . 1 1 103 103 ARG HD3 H 1 3.230 0.01 . . . . . . A 105 ARG HD3 . 26021 1 1282 . 1 1 103 103 ARG C C 13 178.777 0.2 . . . . . . A 105 ARG C . 26021 1 1283 . 1 1 103 103 ARG CA C 13 59.364 0.2 . . . . . . A 105 ARG CA . 26021 1 1284 . 1 1 103 103 ARG CB C 13 30.997 0.2 . . . . . . A 105 ARG CB . 26021 1 1285 . 1 1 103 103 ARG CG C 13 27.061 0.2 . . . . . . A 105 ARG CG . 26021 1 1286 . 1 1 103 103 ARG CD C 13 44.065 0.2 . . . . . . A 105 ARG CD . 26021 1 1287 . 1 1 103 103 ARG N N 15 117.967 0.1 . . . . . . A 105 ARG N . 26021 1 1288 . 1 1 104 104 THR H H 1 8.152 0.01 . . . . . . A 106 THR H . 26021 1 1289 . 1 1 104 104 THR HA H 1 4.301 0.01 . . . . . . A 106 THR HA . 26021 1 1290 . 1 1 104 104 THR HB H 1 3.703 0.01 . . . . . . A 106 THR HB . 26021 1 1291 . 1 1 104 104 THR HG21 H 1 1.075 0.01 . . . . . . A 106 THR HG21 . 26021 1 1292 . 1 1 104 104 THR HG22 H 1 1.075 0.01 . . . . . . A 106 THR HG22 . 26021 1 1293 . 1 1 104 104 THR HG23 H 1 1.075 0.01 . . . . . . A 106 THR HG23 . 26021 1 1294 . 1 1 104 104 THR C C 13 176.254 0.2 . . . . . . A 106 THR C . 26021 1 1295 . 1 1 104 104 THR CA C 13 67.860 0.2 . . . . . . A 106 THR CA . 26021 1 1296 . 1 1 104 104 THR CB C 13 67.860 0.2 . . . . . . A 106 THR CB . 26021 1 1297 . 1 1 104 104 THR CG2 C 13 21.732 0.2 . . . . . . A 106 THR CG2 . 26021 1 1298 . 1 1 104 104 THR N N 15 117.211 0.1 . . . . . . A 106 THR N . 26021 1 1299 . 1 1 105 105 THR H H 1 8.651 0.01 . . . . . . A 107 THR H . 26021 1 1300 . 1 1 105 105 THR HA H 1 3.971 0.01 . . . . . . A 107 THR HA . 26021 1 1301 . 1 1 105 105 THR HB H 1 4.128 0.01 . . . . . . A 107 THR HB . 26021 1 1302 . 1 1 105 105 THR HG21 H 1 1.288 0.01 . . . . . . A 107 THR HG21 . 26021 1 1303 . 1 1 105 105 THR HG22 H 1 1.288 0.01 . . . . . . A 107 THR HG22 . 26021 1 1304 . 1 1 105 105 THR HG23 H 1 1.288 0.01 . . . . . . A 107 THR HG23 . 26021 1 1305 . 1 1 105 105 THR C C 13 176.780 0.2 . . . . . . A 107 THR C . 26021 1 1306 . 1 1 105 105 THR CA C 13 66.822 0.2 . . . . . . A 107 THR CA . 26021 1 1307 . 1 1 105 105 THR CB C 13 68.818 0.2 . . . . . . A 107 THR CB . 26021 1 1308 . 1 1 105 105 THR CG2 C 13 22.038 0.2 . . . . . . A 107 THR CG2 . 26021 1 1309 . 1 1 105 105 THR N N 15 117.939 0.1 . . . . . . A 107 THR N . 26021 1 1310 . 1 1 106 106 LYS H H 1 7.694 0.01 . . . . . . A 108 LYS H . 26021 1 1311 . 1 1 106 106 LYS HA H 1 4.022 0.01 . . . . . . A 108 LYS HA . 26021 1 1312 . 1 1 106 106 LYS HB2 H 1 1.965 0.01 . . . . . . A 108 LYS HB2 . 26021 1 1313 . 1 1 106 106 LYS HB3 H 1 1.852 0.01 . . . . . . A 108 LYS HB3 . 26021 1 1314 . 1 1 106 106 LYS HG2 H 1 1.410 0.01 . . . . . . A 108 LYS HG2 . 26021 1 1315 . 1 1 106 106 LYS HG3 H 1 1.475 0.01 . . . . . . A 108 LYS HG3 . 26021 1 1316 . 1 1 106 106 LYS HD2 H 1 1.682 0.01 . . . . . . A 108 LYS HD2 . 26021 1 1317 . 1 1 106 106 LYS HD3 H 1 1.704 0.01 . . . . . . A 108 LYS HD3 . 26021 1 1318 . 1 1 106 106 LYS HE2 H 1 2.944 0.01 . . . . . . A 108 LYS HE2 . 26021 1 1319 . 1 1 106 106 LYS HE3 H 1 2.974 0.01 . . . . . . A 108 LYS HE3 . 26021 1 1320 . 1 1 106 106 LYS C C 13 179.045 0.2 . . . . . . A 108 LYS C . 26021 1 1321 . 1 1 106 106 LYS CA C 13 59.834 0.2 . . . . . . A 108 LYS CA . 26021 1 1322 . 1 1 106 106 LYS CB C 13 32.473 0.2 . . . . . . A 108 LYS CB . 26021 1 1323 . 1 1 106 106 LYS CG C 13 25.218 0.2 . . . . . . A 108 LYS CG . 26021 1 1324 . 1 1 106 106 LYS CD C 13 29.533 0.2 . . . . . . A 108 LYS CD . 26021 1 1325 . 1 1 106 106 LYS CE C 13 42.094 0.2 . . . . . . A 108 LYS CE . 26021 1 1326 . 1 1 106 106 LYS N N 15 120.867 0.1 . . . . . . A 108 LYS N . 26021 1 1327 . 1 1 107 107 LEU H H 1 7.559 0.01 . . . . . . A 109 LEU H . 26021 1 1328 . 1 1 107 107 LEU HA H 1 4.321 0.01 . . . . . . A 109 LEU HA . 26021 1 1329 . 1 1 107 107 LEU HB2 H 1 1.786 0.01 . . . . . . A 109 LEU HB2 . 26021 1 1330 . 1 1 107 107 LEU HB3 H 1 1.631 0.01 . . . . . . A 109 LEU HB3 . 26021 1 1331 . 1 1 107 107 LEU HD11 H 1 0.829 0.01 . . . . . . A 109 LEU HD11 . 26021 1 1332 . 1 1 107 107 LEU HD12 H 1 0.829 0.01 . . . . . . A 109 LEU HD12 . 26021 1 1333 . 1 1 107 107 LEU HD13 H 1 0.829 0.01 . . . . . . A 109 LEU HD13 . 26021 1 1334 . 1 1 107 107 LEU HD21 H 1 0.760 0.01 . . . . . . A 109 LEU HD21 . 26021 1 1335 . 1 1 107 107 LEU HD22 H 1 0.760 0.01 . . . . . . A 109 LEU HD22 . 26021 1 1336 . 1 1 107 107 LEU HD23 H 1 0.760 0.01 . . . . . . A 109 LEU HD23 . 26021 1 1337 . 1 1 107 107 LEU C C 13 179.974 0.2 . . . . . . A 109 LEU C . 26021 1 1338 . 1 1 107 107 LEU CA C 13 57.593 0.2 . . . . . . A 109 LEU CA . 26021 1 1339 . 1 1 107 107 LEU CB C 13 41.860 0.2 . . . . . . A 109 LEU CB . 26021 1 1340 . 1 1 107 107 LEU CD1 C 13 24.965 0.2 . . . . . . A 109 LEU CD1 . 26021 1 1341 . 1 1 107 107 LEU CD2 C 13 24.878 0.2 . . . . . . A 109 LEU CD2 . 26021 1 1342 . 1 1 107 107 LEU N N 15 119.472 0.1 . . . . . . A 109 LEU N . 26021 1 1343 . 1 1 108 108 LEU H H 1 8.567 0.01 . . . . . . A 110 LEU H . 26021 1 1344 . 1 1 108 108 LEU HA H 1 4.191 0.01 . . . . . . A 110 LEU HA . 26021 1 1345 . 1 1 108 108 LEU HB2 H 1 1.906 0.01 . . . . . . A 110 LEU HB2 . 26021 1 1346 . 1 1 108 108 LEU HB3 H 1 1.727 0.01 . . . . . . A 110 LEU HB3 . 26021 1 1347 . 1 1 108 108 LEU HG H 1 1.725 0.01 . . . . . . A 110 LEU HG . 26021 1 1348 . 1 1 108 108 LEU HD11 H 1 0.944 0.01 . . . . . . A 110 LEU HD11 . 26021 1 1349 . 1 1 108 108 LEU HD12 H 1 0.944 0.01 . . . . . . A 110 LEU HD12 . 26021 1 1350 . 1 1 108 108 LEU HD13 H 1 0.944 0.01 . . . . . . A 110 LEU HD13 . 26021 1 1351 . 1 1 108 108 LEU HD21 H 1 0.907 0.01 . . . . . . A 110 LEU HD21 . 26021 1 1352 . 1 1 108 108 LEU HD22 H 1 0.907 0.01 . . . . . . A 110 LEU HD22 . 26021 1 1353 . 1 1 108 108 LEU HD23 H 1 0.907 0.01 . . . . . . A 110 LEU HD23 . 26021 1 1354 . 1 1 108 108 LEU C C 13 178.101 0.2 . . . . . . A 110 LEU C . 26021 1 1355 . 1 1 108 108 LEU CA C 13 57.892 0.2 . . . . . . A 110 LEU CA . 26021 1 1356 . 1 1 108 108 LEU CB C 13 41.884 0.2 . . . . . . A 110 LEU CB . 26021 1 1357 . 1 1 108 108 LEU CG C 13 27.147 0.2 . . . . . . A 110 LEU CG . 26021 1 1358 . 1 1 108 108 LEU CD1 C 13 24.660 0.2 . . . . . . A 110 LEU CD1 . 26021 1 1359 . 1 1 108 108 LEU CD2 C 13 24.287 0.2 . . . . . . A 110 LEU CD2 . 26021 1 1360 . 1 1 108 108 LEU N N 15 121.832 0.1 . . . . . . A 110 LEU N . 26021 1 1361 . 1 1 109 109 LYS H H 1 7.965 0.01 . . . . . . A 111 LYS H . 26021 1 1362 . 1 1 109 109 LYS HA H 1 3.979 0.01 . . . . . . A 111 LYS HA . 26021 1 1363 . 1 1 109 109 LYS HB2 H 1 1.918 0.01 . . . . . . A 111 LYS HB2 . 26021 1 1364 . 1 1 109 109 LYS HB3 H 1 1.918 0.01 . . . . . . A 111 LYS HB3 . 26021 1 1365 . 1 1 109 109 LYS HG2 H 1 1.580 0.01 . . . . . . A 111 LYS HG2 . 26021 1 1366 . 1 1 109 109 LYS HG3 H 1 1.464 0.01 . . . . . . A 111 LYS HG3 . 26021 1 1367 . 1 1 109 109 LYS HD2 H 1 1.630 0.01 . . . . . . A 111 LYS HD2 . 26021 1 1368 . 1 1 109 109 LYS HD3 H 1 1.630 0.01 . . . . . . A 111 LYS HD3 . 26021 1 1369 . 1 1 109 109 LYS HE2 H 1 2.991 0.01 . . . . . . A 111 LYS HE2 . 26021 1 1370 . 1 1 109 109 LYS HE3 H 1 2.991 0.01 . . . . . . A 111 LYS HE3 . 26021 1 1371 . 1 1 109 109 LYS C C 13 177.677 0.2 . . . . . . A 111 LYS C . 26021 1 1372 . 1 1 109 109 LYS CA C 13 58.785 0.2 . . . . . . A 111 LYS CA . 26021 1 1373 . 1 1 109 109 LYS CB C 13 32.209 0.2 . . . . . . A 111 LYS CB . 26021 1 1374 . 1 1 109 109 LYS CG C 13 25.180 0.2 . . . . . . A 111 LYS CG . 26021 1 1375 . 1 1 109 109 LYS CD C 13 28.935 0.2 . . . . . . A 111 LYS CD . 26021 1 1376 . 1 1 109 109 LYS N N 15 117.972 0.1 . . . . . . A 111 LYS N . 26021 1 1377 . 1 1 110 110 LYS H H 1 7.334 0.01 . . . . . . A 112 LYS H . 26021 1 1378 . 1 1 110 110 LYS HA H 1 4.110 0.01 . . . . . . A 112 LYS HA . 26021 1 1379 . 1 1 110 110 LYS HB2 H 1 1.989 0.01 . . . . . . A 112 LYS HB2 . 26021 1 1380 . 1 1 110 110 LYS HB3 H 1 1.883 0.01 . . . . . . A 112 LYS HB3 . 26021 1 1381 . 1 1 110 110 LYS HG2 H 1 1.477 0.01 . . . . . . A 112 LYS HG2 . 26021 1 1382 . 1 1 110 110 LYS HG3 H 1 1.477 0.01 . . . . . . A 112 LYS HG3 . 26021 1 1383 . 1 1 110 110 LYS HD2 H 1 1.738 0.01 . . . . . . A 112 LYS HD2 . 26021 1 1384 . 1 1 110 110 LYS HD3 H 1 1.671 0.01 . . . . . . A 112 LYS HD3 . 26021 1 1385 . 1 1 110 110 LYS HE2 H 1 2.962 0.01 . . . . . . A 112 LYS HE2 . 26021 1 1386 . 1 1 110 110 LYS HE3 H 1 2.962 0.01 . . . . . . A 112 LYS HE3 . 26021 1 1387 . 1 1 110 110 LYS C C 13 178.270 0.2 . . . . . . A 112 LYS C . 26021 1 1388 . 1 1 110 110 LYS CA C 13 58.951 0.2 . . . . . . A 112 LYS CA . 26021 1 1389 . 1 1 110 110 LYS CB C 13 32.791 0.2 . . . . . . A 112 LYS CB . 26021 1 1390 . 1 1 110 110 LYS CG C 13 25.504 0.2 . . . . . . A 112 LYS CG . 26021 1 1391 . 1 1 110 110 LYS CD C 13 29.576 0.2 . . . . . . A 112 LYS CD . 26021 1 1392 . 1 1 110 110 LYS CE C 13 42.016 0.2 . . . . . . A 112 LYS CE . 26021 1 1393 . 1 1 110 110 LYS N N 15 115.433 0.1 . . . . . . A 112 LYS N . 26021 1 1394 . 1 1 111 111 VAL H H 1 7.298 0.01 . . . . . . A 113 VAL H . 26021 1 1395 . 1 1 111 111 VAL HA H 1 3.831 0.01 . . . . . . A 113 VAL HA . 26021 1 1396 . 1 1 111 111 VAL HB H 1 1.513 0.01 . . . . . . A 113 VAL HB . 26021 1 1397 . 1 1 111 111 VAL HG11 H 1 0.437 0.01 . . . . . . A 113 VAL HG11 . 26021 1 1398 . 1 1 111 111 VAL HG12 H 1 0.437 0.01 . . . . . . A 113 VAL HG12 . 26021 1 1399 . 1 1 111 111 VAL HG13 H 1 0.437 0.01 . . . . . . A 113 VAL HG13 . 26021 1 1400 . 1 1 111 111 VAL HG21 H 1 0.362 0.01 . . . . . . A 113 VAL HG21 . 26021 1 1401 . 1 1 111 111 VAL HG22 H 1 0.362 0.01 . . . . . . A 113 VAL HG22 . 26021 1 1402 . 1 1 111 111 VAL HG23 H 1 0.362 0.01 . . . . . . A 113 VAL HG23 . 26021 1 1403 . 1 1 111 111 VAL C C 13 176.999 0.2 . . . . . . A 113 VAL C . 26021 1 1404 . 1 1 111 111 VAL CA C 13 63.505 0.2 . . . . . . A 113 VAL CA . 26021 1 1405 . 1 1 111 111 VAL CB C 13 32.287 0.2 . . . . . . A 113 VAL CB . 26021 1 1406 . 1 1 111 111 VAL CG1 C 13 20.204 0.2 . . . . . . A 113 VAL CG1 . 26021 1 1407 . 1 1 111 111 VAL CG2 C 13 21.143 0.2 . . . . . . A 113 VAL CG2 . 26021 1 1408 . 1 1 111 111 VAL N N 15 114.861 0.1 . . . . . . A 113 VAL N . 26021 1 1409 . 1 1 112 112 VAL H H 1 7.855 0.01 . . . . . . A 114 VAL H . 26021 1 1410 . 1 1 112 112 VAL HA H 1 3.722 0.01 . . . . . . A 114 VAL HA . 26021 1 1411 . 1 1 112 112 VAL HB H 1 2.081 0.01 . . . . . . A 114 VAL HB . 26021 1 1412 . 1 1 112 112 VAL HG11 H 1 0.961 0.01 . . . . . . A 114 VAL HG11 . 26021 1 1413 . 1 1 112 112 VAL HG12 H 1 0.961 0.01 . . . . . . A 114 VAL HG12 . 26021 1 1414 . 1 1 112 112 VAL HG13 H 1 0.961 0.01 . . . . . . A 114 VAL HG13 . 26021 1 1415 . 1 1 112 112 VAL HG21 H 1 0.914 0.01 . . . . . . A 114 VAL HG21 . 26021 1 1416 . 1 1 112 112 VAL HG22 H 1 0.914 0.01 . . . . . . A 114 VAL HG22 . 26021 1 1417 . 1 1 112 112 VAL HG23 H 1 0.914 0.01 . . . . . . A 114 VAL HG23 . 26021 1 1418 . 1 1 112 112 VAL C C 13 177.737 0.2 . . . . . . A 114 VAL C . 26021 1 1419 . 1 1 112 112 VAL CA C 13 65.224 0.2 . . . . . . A 114 VAL CA . 26021 1 1420 . 1 1 112 112 VAL CB C 13 31.753 0.2 . . . . . . A 114 VAL CB . 26021 1 1421 . 1 1 112 112 VAL CG1 C 13 21.452 0.2 . . . . . . A 114 VAL CG1 . 26021 1 1422 . 1 1 112 112 VAL CG2 C 13 21.134 0.2 . . . . . . A 114 VAL CG2 . 26021 1 1423 . 1 1 112 112 VAL N N 15 121.457 0.1 . . . . . . A 114 VAL N . 26021 1 1424 . 1 1 113 113 ASP H H 1 8.311 0.01 . . . . . . A 115 ASP H . 26021 1 1425 . 1 1 113 113 ASP HA H 1 4.455 0.01 . . . . . . A 115 ASP HA . 26021 1 1426 . 1 1 113 113 ASP HB2 H 1 2.665 0.01 . . . . . . A 115 ASP HB2 . 26021 1 1427 . 1 1 113 113 ASP HB3 H 1 2.630 0.01 . . . . . . A 115 ASP HB3 . 26021 1 1428 . 1 1 113 113 ASP C C 13 177.380 0.2 . . . . . . A 115 ASP C . 26021 1 1429 . 1 1 113 113 ASP CA C 13 55.921 0.2 . . . . . . A 115 ASP CA . 26021 1 1430 . 1 1 113 113 ASP CB C 13 40.372 0.2 . . . . . . A 115 ASP CB . 26021 1 1431 . 1 1 113 113 ASP N N 15 120.804 0.1 . . . . . . A 115 ASP N . 26021 1 1432 . 1 1 114 114 LYS H H 1 7.639 0.01 . . . . . . A 116 LYS H . 26021 1 1433 . 1 1 114 114 LYS HA H 1 4.095 0.01 . . . . . . A 116 LYS HA . 26021 1 1434 . 1 1 114 114 LYS HB2 H 1 1.779 0.01 . . . . . . A 116 LYS HB2 . 26021 1 1435 . 1 1 114 114 LYS HB3 H 1 1.626 0.01 . . . . . . A 116 LYS HB3 . 26021 1 1436 . 1 1 114 114 LYS HG2 H 1 1.185 0.01 . . . . . . A 116 LYS HG2 . 26021 1 1437 . 1 1 114 114 LYS HG3 H 1 0.878 0.01 . . . . . . A 116 LYS HG3 . 26021 1 1438 . 1 1 114 114 LYS HD2 H 1 1.551 0.01 . . . . . . A 116 LYS HD2 . 26021 1 1439 . 1 1 114 114 LYS HD3 H 1 1.593 0.01 . . . . . . A 116 LYS HD3 . 26021 1 1440 . 1 1 114 114 LYS HE2 H 1 2.879 0.01 . . . . . . A 116 LYS HE2 . 26021 1 1441 . 1 1 114 114 LYS HE3 H 1 2.879 0.01 . . . . . . A 116 LYS HE3 . 26021 1 1442 . 1 1 114 114 LYS C C 13 177.077 0.2 . . . . . . A 116 LYS C . 26021 1 1443 . 1 1 114 114 LYS CA C 13 57.711 0.2 . . . . . . A 116 LYS CA . 26021 1 1444 . 1 1 114 114 LYS CB C 13 33.488 0.2 . . . . . . A 116 LYS CB . 26021 1 1445 . 1 1 114 114 LYS CG C 13 24.576 0.2 . . . . . . A 116 LYS CG . 26021 1 1446 . 1 1 114 114 LYS CE C 13 42.107 0.2 . . . . . . A 116 LYS CE . 26021 1 1447 . 1 1 114 114 LYS N N 15 119.582 0.1 . . . . . . A 116 LYS N . 26021 1 1448 . 1 1 115 115 HIS H H 1 8.108 0.01 . . . . . . A 117 HIS H . 26021 1 1449 . 1 1 115 115 HIS HA H 1 4.625 0.01 . . . . . . A 117 HIS HA . 26021 1 1450 . 1 1 115 115 HIS HB2 H 1 3.233 0.01 . . . . . . A 117 HIS HB2 . 26021 1 1451 . 1 1 115 115 HIS HB3 H 1 2.914 0.01 . . . . . . A 117 HIS HB3 . 26021 1 1452 . 1 1 115 115 HIS HD2 H 1 6.974 0.01 . . . . . . A 117 HIS HD2 . 26021 1 1453 . 1 1 115 115 HIS HE1 H 1 8.008 0.01 . . . . . . A 117 HIS HE1 . 26021 1 1454 . 1 1 115 115 HIS C C 13 175.497 0.2 . . . . . . A 117 HIS C . 26021 1 1455 . 1 1 115 115 HIS CA C 13 56.175 0.2 . . . . . . A 117 HIS CA . 26021 1 1456 . 1 1 115 115 HIS CB C 13 30.475 0.2 . . . . . . A 117 HIS CB . 26021 1 1457 . 1 1 115 115 HIS CD2 C 13 119.338 0.2 . . . . . . A 117 HIS CD2 . 26021 1 1458 . 1 1 115 115 HIS CE1 C 13 138.540 0.2 . . . . . . A 117 HIS CE1 . 26021 1 1459 . 1 1 115 115 HIS N N 15 115.246 0.1 . . . . . . A 117 HIS N . 26021 1 1460 . 1 1 116 116 GLY H H 1 8.153 0.01 . . . . . . A 118 GLY H . 26021 1 1461 . 1 1 116 116 GLY HA2 H 1 3.963 0.01 . . . . . . A 118 GLY HA2 . 26021 1 1462 . 1 1 116 116 GLY HA3 H 1 3.889 0.01 . . . . . . A 118 GLY HA3 . 26021 1 1463 . 1 1 116 116 GLY C C 13 174.093 0.2 . . . . . . A 118 GLY C . 26021 1 1464 . 1 1 116 116 GLY CA C 13 46.064 0.2 . . . . . . A 118 GLY CA . 26021 1 1465 . 1 1 116 116 GLY N N 15 109.944 0.1 . . . . . . A 118 GLY N . 26021 1 1466 . 1 1 117 117 ILE H H 1 7.828 0.01 . . . . . . A 119 ILE H . 26021 1 1467 . 1 1 117 117 ILE HA H 1 4.122 0.01 . . . . . . A 119 ILE HA . 26021 1 1468 . 1 1 117 117 ILE HB H 1 1.892 0.01 . . . . . . A 119 ILE HB . 26021 1 1469 . 1 1 117 117 ILE HG12 H 1 1.405 0.01 . . . . . . A 119 ILE HG12 . 26021 1 1470 . 1 1 117 117 ILE HG13 H 1 1.127 0.01 . . . . . . A 119 ILE HG13 . 26021 1 1471 . 1 1 117 117 ILE HG21 H 1 0.885 0.01 . . . . . . A 119 ILE HG21 . 26021 1 1472 . 1 1 117 117 ILE HG22 H 1 0.885 0.01 . . . . . . A 119 ILE HG22 . 26021 1 1473 . 1 1 117 117 ILE HG23 H 1 0.885 0.01 . . . . . . A 119 ILE HG23 . 26021 1 1474 . 1 1 117 117 ILE HD11 H 1 0.802 0.01 . . . . . . A 119 ILE HD11 . 26021 1 1475 . 1 1 117 117 ILE HD12 H 1 0.802 0.01 . . . . . . A 119 ILE HD12 . 26021 1 1476 . 1 1 117 117 ILE HD13 H 1 0.802 0.01 . . . . . . A 119 ILE HD13 . 26021 1 1477 . 1 1 117 117 ILE C C 13 174.777 0.2 . . . . . . A 119 ILE C . 26021 1 1478 . 1 1 117 117 ILE CA C 13 61.101 0.2 . . . . . . A 119 ILE CA . 26021 1 1479 . 1 1 117 117 ILE CB C 13 38.631 0.2 . . . . . . A 119 ILE CB . 26021 1 1480 . 1 1 117 117 ILE CG1 C 13 27.404 0.2 . . . . . . A 119 ILE CG1 . 26021 1 1481 . 1 1 117 117 ILE CG2 C 13 17.705 0.2 . . . . . . A 119 ILE CG2 . 26021 1 1482 . 1 1 117 117 ILE CD1 C 13 13.018 0.2 . . . . . . A 119 ILE CD1 . 26021 1 1483 . 1 1 117 117 ILE N N 15 118.468 0.1 . . . . . . A 119 ILE N . 26021 1 1484 . 1 1 118 118 ALA H H 1 7.881 0.01 . . . . . . A 120 ALA H . 26021 1 1485 . 1 1 118 118 ALA HA H 1 4.118 0.01 . . . . . . A 120 ALA HA . 26021 1 1486 . 1 1 118 118 ALA HB1 H 1 1.302 0.01 . . . . . . A 120 ALA HB1 . 26021 1 1487 . 1 1 118 118 ALA HB2 H 1 1.302 0.01 . . . . . . A 120 ALA HB2 . 26021 1 1488 . 1 1 118 118 ALA HB3 H 1 1.302 0.01 . . . . . . A 120 ALA HB3 . 26021 1 1489 . 1 1 118 118 ALA CA C 13 53.707 0.2 . . . . . . A 120 ALA CA . 26021 1 1490 . 1 1 118 118 ALA CB C 13 20.371 0.2 . . . . . . A 120 ALA CB . 26021 1 1491 . 1 1 118 118 ALA N N 15 133.298 0.1 . . . . . . A 120 ALA N . 26021 1 stop_ save_