data_30246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30246 _Entry.Title ; Red abalone lysin F104A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-14 _Entry.Accession_date 2017-02-14 _Entry.Last_release_date 2017-05-10 _Entry.Original_release_date 2017-05-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Wilburn D. B. . . 30246 2 L. Tuttle L. M. . . 30246 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'fertilization protein' . 30246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 30246 '15N chemical shifts' 119 30246 '1H chemical shifts' 662 30246 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 . . 2018-03-15 2017-02-14 update BMRB 'update entry citation' 30246 1 . . 2018-01-25 2017-02-14 original author 'original release' 30246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UTG 'BMRB Entry Tracking System' 30246 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30246 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29348201 _Citation.Full_citation . _Citation.Title ; Solution structure of sperm lysin yields novel insights into molecular dynamics of rapid protein evolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 115 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1310 _Citation.Page_last 1315 _Citation.Year 2018 _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 D. Wilburn D. B. . . 30246 1 2 L. Tuttle L. M. . . 30246 1 3 R. Klevit R. E. . . 30246 1 4 W. Swanson W. J. . . 30246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30246 _Assembly.ID 1 _Assembly.Name Egg-lysin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRSWHYVEPKFLNKAFEVAL KVQIIAGFDRGLVKWLRVHG RTLSTVQKKALYFVNRRYMQ THWANYMLWINKKIDALGRT PVVGDYTRLGAEIGRRIDMA YFYDALKDKNMIPKYLPYME EINRMRPADVPVKYM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 19-152' _Entity.Mutation F104A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16089.939 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Sperm-lysin na 30246 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 30246 1 2 1 ARG . 30246 1 3 2 SER . 30246 1 4 3 TRP . 30246 1 5 4 HIS . 30246 1 6 5 TYR . 30246 1 7 6 VAL . 30246 1 8 7 GLU . 30246 1 9 8 PRO . 30246 1 10 9 LYS . 30246 1 11 10 PHE . 30246 1 12 11 LEU . 30246 1 13 12 ASN . 30246 1 14 13 LYS . 30246 1 15 14 ALA . 30246 1 16 15 PHE . 30246 1 17 16 GLU . 30246 1 18 17 VAL . 30246 1 19 18 ALA . 30246 1 20 19 LEU . 30246 1 21 20 LYS . 30246 1 22 21 VAL . 30246 1 23 22 GLN . 30246 1 24 23 ILE . 30246 1 25 24 ILE . 30246 1 26 25 ALA . 30246 1 27 26 GLY . 30246 1 28 27 PHE . 30246 1 29 28 ASP . 30246 1 30 29 ARG . 30246 1 31 30 GLY . 30246 1 32 31 LEU . 30246 1 33 32 VAL . 30246 1 34 33 LYS . 30246 1 35 34 TRP . 30246 1 36 35 LEU . 30246 1 37 36 ARG . 30246 1 38 37 VAL . 30246 1 39 38 HIS . 30246 1 40 39 GLY . 30246 1 41 40 ARG . 30246 1 42 41 THR . 30246 1 43 42 LEU . 30246 1 44 43 SER . 30246 1 45 44 THR . 30246 1 46 45 VAL . 30246 1 47 46 GLN . 30246 1 48 47 LYS . 30246 1 49 48 LYS . 30246 1 50 49 ALA . 30246 1 51 50 LEU . 30246 1 52 51 TYR . 30246 1 53 52 PHE . 30246 1 54 53 VAL . 30246 1 55 54 ASN . 30246 1 56 55 ARG . 30246 1 57 56 ARG . 30246 1 58 57 TYR . 30246 1 59 58 MET . 30246 1 60 59 GLN . 30246 1 61 60 THR . 30246 1 62 61 HIS . 30246 1 63 62 TRP . 30246 1 64 63 ALA . 30246 1 65 64 ASN . 30246 1 66 65 TYR . 30246 1 67 66 MET . 30246 1 68 67 LEU . 30246 1 69 68 TRP . 30246 1 70 69 ILE . 30246 1 71 70 ASN . 30246 1 72 71 LYS . 30246 1 73 72 LYS . 30246 1 74 73 ILE . 30246 1 75 74 ASP . 30246 1 76 75 ALA . 30246 1 77 76 LEU . 30246 1 78 77 GLY . 30246 1 79 78 ARG . 30246 1 80 79 THR . 30246 1 81 80 PRO . 30246 1 82 81 VAL . 30246 1 83 82 VAL . 30246 1 84 83 GLY . 30246 1 85 84 ASP . 30246 1 86 85 TYR . 30246 1 87 86 THR . 30246 1 88 87 ARG . 30246 1 89 88 LEU . 30246 1 90 89 GLY . 30246 1 91 90 ALA . 30246 1 92 91 GLU . 30246 1 93 92 ILE . 30246 1 94 93 GLY . 30246 1 95 94 ARG . 30246 1 96 95 ARG . 30246 1 97 96 ILE . 30246 1 98 97 ASP . 30246 1 99 98 MET . 30246 1 100 99 ALA . 30246 1 101 100 TYR . 30246 1 102 101 PHE . 30246 1 103 102 TYR . 30246 1 104 103 ASP . 30246 1 105 104 ALA . 30246 1 106 105 LEU . 30246 1 107 106 LYS . 30246 1 108 107 ASP . 30246 1 109 108 LYS . 30246 1 110 109 ASN . 30246 1 111 110 MET . 30246 1 112 111 ILE . 30246 1 113 112 PRO . 30246 1 114 113 LYS . 30246 1 115 114 TYR . 30246 1 116 115 LEU . 30246 1 117 116 PRO . 30246 1 118 117 TYR . 30246 1 119 118 MET . 30246 1 120 119 GLU . 30246 1 121 120 GLU . 30246 1 122 121 ILE . 30246 1 123 122 ASN . 30246 1 124 123 ARG . 30246 1 125 124 MET . 30246 1 126 125 ARG . 30246 1 127 126 PRO . 30246 1 128 127 ALA . 30246 1 129 128 ASP . 30246 1 130 129 VAL . 30246 1 131 130 PRO . 30246 1 132 131 VAL . 30246 1 133 132 LYS . 30246 1 134 133 TYR . 30246 1 135 134 MET . 30246 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 . GLY 1 1 30246 1 . ARG 2 2 30246 1 . SER 3 3 30246 1 . TRP 4 4 30246 1 . HIS 5 5 30246 1 . TYR 6 6 30246 1 . VAL 7 7 30246 1 . GLU 8 8 30246 1 . PRO 9 9 30246 1 . LYS 10 10 30246 1 . PHE 11 11 30246 1 . LEU 12 12 30246 1 . ASN 13 13 30246 1 . LYS 14 14 30246 1 . ALA 15 15 30246 1 . PHE 16 16 30246 1 . GLU 17 17 30246 1 . VAL 18 18 30246 1 . ALA 19 19 30246 1 . LEU 20 20 30246 1 . LYS 21 21 30246 1 . VAL 22 22 30246 1 . GLN 23 23 30246 1 . ILE 24 24 30246 1 . ILE 25 25 30246 1 . ALA 26 26 30246 1 . GLY 27 27 30246 1 . PHE 28 28 30246 1 . ASP 29 29 30246 1 . ARG 30 30 30246 1 . GLY 31 31 30246 1 . LEU 32 32 30246 1 . VAL 33 33 30246 1 . LYS 34 34 30246 1 . TRP 35 35 30246 1 . LEU 36 36 30246 1 . ARG 37 37 30246 1 . VAL 38 38 30246 1 . HIS 39 39 30246 1 . GLY 40 40 30246 1 . ARG 41 41 30246 1 . THR 42 42 30246 1 . LEU 43 43 30246 1 . SER 44 44 30246 1 . THR 45 45 30246 1 . VAL 46 46 30246 1 . GLN 47 47 30246 1 . LYS 48 48 30246 1 . LYS 49 49 30246 1 . ALA 50 50 30246 1 . LEU 51 51 30246 1 . TYR 52 52 30246 1 . PHE 53 53 30246 1 . VAL 54 54 30246 1 . ASN 55 55 30246 1 . ARG 56 56 30246 1 . ARG 57 57 30246 1 . TYR 58 58 30246 1 . MET 59 59 30246 1 . GLN 60 60 30246 1 . THR 61 61 30246 1 . HIS 62 62 30246 1 . TRP 63 63 30246 1 . ALA 64 64 30246 1 . ASN 65 65 30246 1 . TYR 66 66 30246 1 . MET 67 67 30246 1 . LEU 68 68 30246 1 . TRP 69 69 30246 1 . ILE 70 70 30246 1 . ASN 71 71 30246 1 . LYS 72 72 30246 1 . LYS 73 73 30246 1 . ILE 74 74 30246 1 . ASP 75 75 30246 1 . ALA 76 76 30246 1 . LEU 77 77 30246 1 . GLY 78 78 30246 1 . ARG 79 79 30246 1 . THR 80 80 30246 1 . PRO 81 81 30246 1 . VAL 82 82 30246 1 . VAL 83 83 30246 1 . GLY 84 84 30246 1 . ASP 85 85 30246 1 . TYR 86 86 30246 1 . THR 87 87 30246 1 . ARG 88 88 30246 1 . LEU 89 89 30246 1 . GLY 90 90 30246 1 . ALA 91 91 30246 1 . GLU 92 92 30246 1 . ILE 93 93 30246 1 . GLY 94 94 30246 1 . ARG 95 95 30246 1 . ARG 96 96 30246 1 . ILE 97 97 30246 1 . ASP 98 98 30246 1 . MET 99 99 30246 1 . ALA 100 100 30246 1 . TYR 101 101 30246 1 . PHE 102 102 30246 1 . TYR 103 103 30246 1 . ASP 104 104 30246 1 . ALA 105 105 30246 1 . LEU 106 106 30246 1 . LYS 107 107 30246 1 . ASP 108 108 30246 1 . LYS 109 109 30246 1 . ASN 110 110 30246 1 . MET 111 111 30246 1 . ILE 112 112 30246 1 . PRO 113 113 30246 1 . LYS 114 114 30246 1 . TYR 115 115 30246 1 . LEU 116 116 30246 1 . PRO 117 117 30246 1 . TYR 118 118 30246 1 . MET 119 119 30246 1 . GLU 120 120 30246 1 . GLU 121 121 30246 1 . ILE 122 122 30246 1 . ASN 123 123 30246 1 . ARG 124 124 30246 1 . MET 125 125 30246 1 . ARG 126 126 30246 1 . PRO 127 127 30246 1 . ALA 128 128 30246 1 . ASP 129 129 30246 1 . VAL 130 130 30246 1 . PRO 131 131 30246 1 . VAL 132 132 30246 1 . LYS 133 133 30246 1 . TYR 134 134 30246 1 . MET 135 135 30246 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 30246 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 6454 organism . 'Haliotis rufescens' 'California red abalone' . . Eukaryota Metazoa Haliotis rufescens . . . . . . . . . . . . . 30246 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 30246 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . . . . . . . pET11d . . . 30246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30246 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-15N] lysin, 200 mM natural abundunce sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 lysin [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30246 1 2 'sodium chloride' 'natural abundunce' . . . . . . 200 . . mM . . . . 30246 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30246 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30246 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 lysin '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30246 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30246 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30246 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30246 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-15N] lysin, 5 w/v c12e6/hexanol, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 c12e6/hexanol 'natural abundance' . . . . . . 5 . . w/v . . . . 30246 3 2 lysin [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30246 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30246 3 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30246 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30246 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 200 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM Tris, 93% H2O/7% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 30246 4 2 lysin '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 30246 4 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30246 4 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 30246 _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' 200 . mM 30246 1 pH 7.4 . pH 30246 1 pressure 1 . atm 30246 1 temperature 298 . K 30246 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30246 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30246 1 'structure calculation' 30246 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30246 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30246 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30246 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30246 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30246 3 'peak picking' 30246 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30246 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30246 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30246 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30246 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.43 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30246 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30246 5 'structure calculation' 30246 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30246 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Cryo Probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30246 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 500 . . . 30246 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 30246 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 30246 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 4 '3D 1H-15N hetNOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 5 '2D 1H-15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 6 '2D 1H-15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 7 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30246 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 9 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 13 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 15 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 16 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 17 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 18 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 19 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30246 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30246 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'separate tube (no insert) similar to the experimental sample tube' 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 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.25144953 . . . . 0 30246 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . 0 30246 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.10132912 . . . . 0 30246 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30246 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30246 1 2 '3D 1H-15N NOESY' . . . 30246 1 3 '3D 1H-15N TOCSY' . . . 30246 1 4 '3D 1H-15N hetNOE' . . . 30246 1 5 '2D 1H-15N T1' . . . 30246 1 6 '2D 1H-15N T2' . . . 30246 1 7 '3D HNHA' . . . 30246 1 8 '3D HNCA' . . . 30246 1 9 '2D 1H-15N HSQC-IPAP' . . . 30246 1 10 '3D HNCO' . . . 30246 1 11 '3D 1H-13C NOESY aromatic' . . . 30246 1 12 '3D 1H-13C NOESY aliphatic' . . . 30246 1 13 '3D HCCH-COSY' . . . 30246 1 14 '3D HCCH-TOCSY' . . . 30246 1 15 '3D HN(CO)CACB' . . . 30246 1 16 '3D HNCACB' . . . 30246 1 17 '3D HN(CO)CA' . . . 30246 1 18 '2D 1H-13C HSQC aliphatic' . . . 30246 1 19 '2D 1H-13C HSQC aromatic' . . . 30246 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 4 4 TRP HB2 H 1 3.464 0.14 . . . . . . A 3 TRP HB2 . 30246 1 2 . 1 1 4 4 TRP HB3 H 1 3.464 0.14 . . . . . . A 3 TRP HB3 . 30246 1 3 . 1 1 4 4 TRP HD1 H 1 7.148 0.01 . . . . . . A 3 TRP HD1 . 30246 1 4 . 1 1 4 4 TRP HE1 H 1 10.121 0.00 . . . . . . A 3 TRP HE1 . 30246 1 5 . 1 1 4 4 TRP CB C 13 29.339 0.00 . . . . . . A 3 TRP CB . 30246 1 6 . 1 1 4 4 TRP CD1 C 13 130.741 0.06 . . . . . . A 3 TRP CD1 . 30246 1 7 . 1 1 4 4 TRP NE1 N 15 129.509 0.07 . . . . . . A 3 TRP NE1 . 30246 1 8 . 1 1 6 6 TYR C C 13 174.817 0.00 . . . . . . A 5 TYR C . 30246 1 9 . 1 1 6 6 TYR CB C 13 39.137 0.00 . . . . . . A 5 TYR CB . 30246 1 10 . 1 1 7 7 VAL H H 1 7.747 0.03 . . . . . . A 6 VAL H . 30246 1 11 . 1 1 7 7 VAL HA H 1 4.048 0.01 . . . . . . A 6 VAL HA . 30246 1 12 . 1 1 7 7 VAL HB H 1 1.909 0.01 . . . . . . A 6 VAL HB . 30246 1 13 . 1 1 7 7 VAL HG11 H 1 0.889 0.02 . . . . . . A 6 VAL HG11 . 30246 1 14 . 1 1 7 7 VAL HG12 H 1 0.889 0.02 . . . . . . A 6 VAL HG12 . 30246 1 15 . 1 1 7 7 VAL HG13 H 1 0.889 0.02 . . . . . . A 6 VAL HG13 . 30246 1 16 . 1 1 7 7 VAL HG21 H 1 0.865 0.01 . . . . . . A 6 VAL HG21 . 30246 1 17 . 1 1 7 7 VAL HG22 H 1 0.865 0.01 . . . . . . A 6 VAL HG22 . 30246 1 18 . 1 1 7 7 VAL HG23 H 1 0.865 0.01 . . . . . . A 6 VAL HG23 . 30246 1 19 . 1 1 7 7 VAL C C 13 174.696 0.00 . . . . . . A 6 VAL C . 30246 1 20 . 1 1 7 7 VAL CA C 13 61.304 0.13 . . . . . . A 6 VAL CA . 30246 1 21 . 1 1 7 7 VAL CB C 13 33.258 0.08 . . . . . . A 6 VAL CB . 30246 1 22 . 1 1 7 7 VAL CG1 C 13 20.694 0.08 . . . . . . A 6 VAL CG1 . 30246 1 23 . 1 1 7 7 VAL CG2 C 13 20.877 0.11 . . . . . . A 6 VAL CG2 . 30246 1 24 . 1 1 7 7 VAL N N 15 124.614 0.20 . . . . . . A 6 VAL N . 30246 1 25 . 1 1 8 8 GLU H H 1 8.362 0.01 . . . . . . A 7 GLU H . 30246 1 26 . 1 1 8 8 GLU HA H 1 4.445 0.02 . . . . . . A 7 GLU HA . 30246 1 27 . 1 1 8 8 GLU HB2 H 1 2.035 0.02 . . . . . . A 7 GLU HB2 . 30246 1 28 . 1 1 8 8 GLU HB3 H 1 1.959 0.00 . . . . . . A 7 GLU HB3 . 30246 1 29 . 1 1 8 8 GLU HG2 H 1 2.361 0.01 . . . . . . A 7 GLU HG2 . 30246 1 30 . 1 1 8 8 GLU HG3 H 1 2.361 0.01 . . . . . . A 7 GLU HG3 . 30246 1 31 . 1 1 8 8 GLU CA C 13 54.252 0.06 . . . . . . A 7 GLU CA . 30246 1 32 . 1 1 8 8 GLU CB C 13 29.759 0.05 . . . . . . A 7 GLU CB . 30246 1 33 . 1 1 8 8 GLU CG C 13 36.029 0.04 . . . . . . A 7 GLU CG . 30246 1 34 . 1 1 8 8 GLU N N 15 126.908 0.11 . . . . . . A 7 GLU N . 30246 1 35 . 1 1 9 9 PRO HA H 1 4.365 0.01 . . . . . . A 8 PRO HA . 30246 1 36 . 1 1 9 9 PRO HB2 H 1 1.720 0.02 . . . . . . A 8 PRO HB2 . 30246 1 37 . 1 1 9 9 PRO HB3 H 1 1.720 0.02 . . . . . . A 8 PRO HB3 . 30246 1 38 . 1 1 9 9 PRO HG2 H 1 2.039 0.02 . . . . . . A 8 PRO HG2 . 30246 1 39 . 1 1 9 9 PRO HG3 H 1 2.039 0.02 . . . . . . A 8 PRO HG3 . 30246 1 40 . 1 1 9 9 PRO HD2 H 1 3.900 0.02 . . . . . . A 8 PRO HD2 . 30246 1 41 . 1 1 9 9 PRO HD3 H 1 3.900 0.02 . . . . . . A 8 PRO HD3 . 30246 1 42 . 1 1 9 9 PRO C C 13 176.209 0.00 . . . . . . A 8 PRO C . 30246 1 43 . 1 1 9 9 PRO CA C 13 62.953 0.05 . . . . . . A 8 PRO CA . 30246 1 44 . 1 1 9 9 PRO CB C 13 32.136 0.03 . . . . . . A 8 PRO CB . 30246 1 45 . 1 1 9 9 PRO CG C 13 27.520 0.07 . . . . . . A 8 PRO CG . 30246 1 46 . 1 1 9 9 PRO CD C 13 50.862 0.05 . . . . . . A 8 PRO CD . 30246 1 47 . 1 1 10 10 LYS H H 1 8.198 0.01 . . . . . . A 9 LYS H . 30246 1 48 . 1 1 10 10 LYS HA H 1 4.244 0.01 . . . . . . A 9 LYS HA . 30246 1 49 . 1 1 10 10 LYS HB2 H 1 1.694 0.02 . . . . . . A 9 LYS HB2 . 30246 1 50 . 1 1 10 10 LYS HB3 H 1 1.694 0.02 . . . . . . A 9 LYS HB3 . 30246 1 51 . 1 1 10 10 LYS HG2 H 1 1.337 0.02 . . . . . . A 9 LYS HG2 . 30246 1 52 . 1 1 10 10 LYS HG3 H 1 1.337 0.02 . . . . . . A 9 LYS HG3 . 30246 1 53 . 1 1 10 10 LYS HE2 H 1 2.996 0.00 . . . . . . A 9 LYS HE2 . 30246 1 54 . 1 1 10 10 LYS HE3 H 1 2.996 0.00 . . . . . . A 9 LYS HE3 . 30246 1 55 . 1 1 10 10 LYS CA C 13 55.740 0.09 . . . . . . A 9 LYS CA . 30246 1 56 . 1 1 10 10 LYS CB C 13 33.012 0.07 . . . . . . A 9 LYS CB . 30246 1 57 . 1 1 10 10 LYS CG C 13 24.549 0.00 . . . . . . A 9 LYS CG . 30246 1 58 . 1 1 10 10 LYS N N 15 121.089 0.18 . . . . . . A 9 LYS N . 30246 1 59 . 1 1 11 11 PHE H H 1 7.880 0.00 . . . . . . A 10 PHE H . 30246 1 60 . 1 1 11 11 PHE C C 13 175.086 0.00 . . . . . . A 10 PHE C . 30246 1 61 . 1 1 11 11 PHE CA C 13 56.870 0.01 . . . . . . A 10 PHE CA . 30246 1 62 . 1 1 11 11 PHE CB C 13 39.740 0.00 . . . . . . A 10 PHE CB . 30246 1 63 . 1 1 11 11 PHE N N 15 120.353 0.04 . . . . . . A 10 PHE N . 30246 1 64 . 1 1 12 12 LEU H H 1 6.952 0.01 . . . . . . A 11 LEU H . 30246 1 65 . 1 1 12 12 LEU HA H 1 4.492 0.01 . . . . . . A 11 LEU HA . 30246 1 66 . 1 1 12 12 LEU CA C 13 54.256 0.06 . . . . . . A 11 LEU CA . 30246 1 67 . 1 1 12 12 LEU CB C 13 44.359 0.00 . . . . . . A 11 LEU CB . 30246 1 68 . 1 1 12 12 LEU N N 15 122.387 0.06 . . . . . . A 11 LEU N . 30246 1 69 . 1 1 14 14 LYS C C 13 177.349 0.00 . . . . . . A 13 LYS C . 30246 1 70 . 1 1 14 14 LYS CA C 13 58.952 0.03 . . . . . . A 13 LYS CA . 30246 1 71 . 1 1 14 14 LYS CB C 13 31.742 0.03 . . . . . . A 13 LYS CB . 30246 1 72 . 1 1 15 15 ALA H H 1 8.240 0.00 . . . . . . A 14 ALA H . 30246 1 73 . 1 1 15 15 ALA HA H 1 4.108 0.01 . . . . . . A 14 ALA HA . 30246 1 74 . 1 1 15 15 ALA HB1 H 1 1.302 0.00 . . . . . . A 14 ALA HB1 . 30246 1 75 . 1 1 15 15 ALA HB2 H 1 1.302 0.00 . . . . . . A 14 ALA HB2 . 30246 1 76 . 1 1 15 15 ALA HB3 H 1 1.302 0.00 . . . . . . A 14 ALA HB3 . 30246 1 77 . 1 1 15 15 ALA C C 13 180.989 0.00 . . . . . . A 14 ALA C . 30246 1 78 . 1 1 15 15 ALA CA C 13 54.981 0.05 . . . . . . A 14 ALA CA . 30246 1 79 . 1 1 15 15 ALA CB C 13 17.774 0.09 . . . . . . A 14 ALA CB . 30246 1 80 . 1 1 15 15 ALA N N 15 118.233 0.05 . . . . . . A 14 ALA N . 30246 1 81 . 1 1 16 16 PHE H H 1 7.257 0.01 . . . . . . A 15 PHE H . 30246 1 82 . 1 1 16 16 PHE HA H 1 4.424 0.01 . . . . . . A 15 PHE HA . 30246 1 83 . 1 1 16 16 PHE HB2 H 1 2.948 0.01 . . . . . . A 15 PHE HB2 . 30246 1 84 . 1 1 16 16 PHE HB3 H 1 2.948 0.01 . . . . . . A 15 PHE HB3 . 30246 1 85 . 1 1 16 16 PHE HD1 H 1 7.039 0.02 . . . . . . A 15 PHE HD1 . 30246 1 86 . 1 1 16 16 PHE HD2 H 1 7.039 0.02 . . . . . . A 15 PHE HD2 . 30246 1 87 . 1 1 16 16 PHE HE1 H 1 7.376 0.03 . . . . . . A 15 PHE HE1 . 30246 1 88 . 1 1 16 16 PHE HE2 H 1 7.376 0.03 . . . . . . A 15 PHE HE2 . 30246 1 89 . 1 1 16 16 PHE CA C 13 55.986 0.11 . . . . . . A 15 PHE CA . 30246 1 90 . 1 1 16 16 PHE CB C 13 35.710 0.11 . . . . . . A 15 PHE CB . 30246 1 91 . 1 1 16 16 PHE CD1 C 13 133.156 0.05 . . . . . . A 15 PHE CD1 . 30246 1 92 . 1 1 16 16 PHE CE1 C 13 131.289 0.00 . . . . . . A 15 PHE CE1 . 30246 1 93 . 1 1 16 16 PHE N N 15 117.649 0.05 . . . . . . A 15 PHE N . 30246 1 94 . 1 1 17 17 GLU H H 1 7.969 0.01 . . . . . . A 16 GLU H . 30246 1 95 . 1 1 17 17 GLU C C 13 178.535 0.00 . . . . . . A 16 GLU C . 30246 1 96 . 1 1 17 17 GLU CA C 13 60.676 0.04 . . . . . . A 16 GLU CA . 30246 1 97 . 1 1 17 17 GLU CB C 13 30.804 0.05 . . . . . . A 16 GLU CB . 30246 1 98 . 1 1 17 17 GLU N N 15 120.003 0.05 . . . . . . A 16 GLU N . 30246 1 99 . 1 1 18 18 VAL H H 1 9.039 0.01 . . . . . . A 17 VAL H . 30246 1 100 . 1 1 18 18 VAL HA H 1 3.490 0.02 . . . . . . A 17 VAL HA . 30246 1 101 . 1 1 18 18 VAL HB H 1 2.181 0.00 . . . . . . A 17 VAL HB . 30246 1 102 . 1 1 18 18 VAL HG11 H 1 1.265 0.01 . . . . . . A 17 VAL HG11 . 30246 1 103 . 1 1 18 18 VAL HG12 H 1 1.265 0.01 . . . . . . A 17 VAL HG12 . 30246 1 104 . 1 1 18 18 VAL HG13 H 1 1.265 0.01 . . . . . . A 17 VAL HG13 . 30246 1 105 . 1 1 18 18 VAL HG21 H 1 1.045 0.02 . . . . . . A 17 VAL HG21 . 30246 1 106 . 1 1 18 18 VAL HG22 H 1 1.045 0.02 . . . . . . A 17 VAL HG22 . 30246 1 107 . 1 1 18 18 VAL HG23 H 1 1.045 0.02 . . . . . . A 17 VAL HG23 . 30246 1 108 . 1 1 18 18 VAL C C 13 176.296 0.00 . . . . . . A 17 VAL C . 30246 1 109 . 1 1 18 18 VAL CA C 13 68.338 0.12 . . . . . . A 17 VAL CA . 30246 1 110 . 1 1 18 18 VAL CB C 13 31.949 0.06 . . . . . . A 17 VAL CB . 30246 1 111 . 1 1 18 18 VAL CG1 C 13 23.315 0.05 . . . . . . A 17 VAL CG1 . 30246 1 112 . 1 1 18 18 VAL CG2 C 13 21.514 0.01 . . . . . . A 17 VAL CG2 . 30246 1 113 . 1 1 18 18 VAL N N 15 118.402 0.03 . . . . . . A 17 VAL N . 30246 1 114 . 1 1 19 19 ALA H H 1 7.428 0.01 . . . . . . A 18 ALA H . 30246 1 115 . 1 1 19 19 ALA HA H 1 4.182 0.01 . . . . . . A 18 ALA HA . 30246 1 116 . 1 1 19 19 ALA HB1 H 1 1.692 0.01 . . . . . . A 18 ALA HB1 . 30246 1 117 . 1 1 19 19 ALA HB2 H 1 1.692 0.01 . . . . . . A 18 ALA HB2 . 30246 1 118 . 1 1 19 19 ALA HB3 H 1 1.692 0.01 . . . . . . A 18 ALA HB3 . 30246 1 119 . 1 1 19 19 ALA C C 13 180.570 0.00 . . . . . . A 18 ALA C . 30246 1 120 . 1 1 19 19 ALA CA C 13 55.279 0.08 . . . . . . A 18 ALA CA . 30246 1 121 . 1 1 19 19 ALA CB C 13 18.701 0.10 . . . . . . A 18 ALA CB . 30246 1 122 . 1 1 19 19 ALA N N 15 119.638 0.03 . . . . . . A 18 ALA N . 30246 1 123 . 1 1 20 20 LEU H H 1 7.727 0.01 . . . . . . A 19 LEU H . 30246 1 124 . 1 1 20 20 LEU HA H 1 4.083 0.01 . . . . . . A 19 LEU HA . 30246 1 125 . 1 1 20 20 LEU C C 13 178.533 0.00 . . . . . . A 19 LEU C . 30246 1 126 . 1 1 20 20 LEU CA C 13 58.334 0.07 . . . . . . A 19 LEU CA . 30246 1 127 . 1 1 20 20 LEU CB C 13 44.573 0.00 . . . . . . A 19 LEU CB . 30246 1 128 . 1 1 20 20 LEU N N 15 114.290 0.05 . . . . . . A 19 LEU N . 30246 1 129 . 1 1 21 21 LYS H H 1 8.608 0.01 . . . . . . A 20 LYS H . 30246 1 130 . 1 1 21 21 LYS C C 13 178.868 0.00 . . . . . . A 20 LYS C . 30246 1 131 . 1 1 21 21 LYS CA C 13 61.358 0.08 . . . . . . A 20 LYS CA . 30246 1 132 . 1 1 21 21 LYS CB C 13 32.081 0.08 . . . . . . A 20 LYS CB . 30246 1 133 . 1 1 21 21 LYS N N 15 118.005 0.05 . . . . . . A 20 LYS N . 30246 1 134 . 1 1 22 22 VAL H H 1 8.667 0.01 . . . . . . A 21 VAL H . 30246 1 135 . 1 1 22 22 VAL HA H 1 3.546 0.02 . . . . . . A 21 VAL HA . 30246 1 136 . 1 1 22 22 VAL HB H 1 2.189 0.01 . . . . . . A 21 VAL HB . 30246 1 137 . 1 1 22 22 VAL HG11 H 1 1.169 0.01 . . . . . . A 21 VAL HG11 . 30246 1 138 . 1 1 22 22 VAL HG12 H 1 1.169 0.01 . . . . . . A 21 VAL HG12 . 30246 1 139 . 1 1 22 22 VAL HG13 H 1 1.169 0.01 . . . . . . A 21 VAL HG13 . 30246 1 140 . 1 1 22 22 VAL HG21 H 1 1.003 0.00 . . . . . . A 21 VAL HG21 . 30246 1 141 . 1 1 22 22 VAL HG22 H 1 1.003 0.00 . . . . . . A 21 VAL HG22 . 30246 1 142 . 1 1 22 22 VAL HG23 H 1 1.003 0.00 . . . . . . A 21 VAL HG23 . 30246 1 143 . 1 1 22 22 VAL C C 13 179.395 0.00 . . . . . . A 21 VAL C . 30246 1 144 . 1 1 22 22 VAL CA C 13 66.475 0.07 . . . . . . A 21 VAL CA . 30246 1 145 . 1 1 22 22 VAL CB C 13 32.032 0.04 . . . . . . A 21 VAL CB . 30246 1 146 . 1 1 22 22 VAL CG1 C 13 23.081 0.09 . . . . . . A 21 VAL CG1 . 30246 1 147 . 1 1 22 22 VAL CG2 C 13 20.691 0.06 . . . . . . A 21 VAL CG2 . 30246 1 148 . 1 1 22 22 VAL N N 15 114.486 0.06 . . . . . . A 21 VAL N . 30246 1 149 . 1 1 23 23 GLN H H 1 7.218 0.00 . . . . . . A 22 GLN H . 30246 1 150 . 1 1 23 23 GLN HA H 1 4.066 0.01 . . . . . . A 22 GLN HA . 30246 1 151 . 1 1 23 23 GLN HB2 H 1 1.993 0.04 . . . . . . A 22 GLN HB2 . 30246 1 152 . 1 1 23 23 GLN HB3 H 1 1.993 0.04 . . . . . . A 22 GLN HB3 . 30246 1 153 . 1 1 23 23 GLN HG2 H 1 2.386 0.01 . . . . . . A 22 GLN HG2 . 30246 1 154 . 1 1 23 23 GLN HG3 H 1 2.386 0.01 . . . . . . A 22 GLN HG3 . 30246 1 155 . 1 1 23 23 GLN C C 13 179.378 0.00 . . . . . . A 22 GLN C . 30246 1 156 . 1 1 23 23 GLN CA C 13 57.414 0.07 . . . . . . A 22 GLN CA . 30246 1 157 . 1 1 23 23 GLN CB C 13 28.437 0.10 . . . . . . A 22 GLN CB . 30246 1 158 . 1 1 23 23 GLN CG C 13 33.638 0.03 . . . . . . A 22 GLN CG . 30246 1 159 . 1 1 23 23 GLN N N 15 115.040 0.03 . . . . . . A 22 GLN N . 30246 1 160 . 1 1 24 24 ILE H H 1 8.800 0.01 . . . . . . A 23 ILE H . 30246 1 161 . 1 1 24 24 ILE HA H 1 3.175 0.01 . . . . . . A 23 ILE HA . 30246 1 162 . 1 1 24 24 ILE HB H 1 1.721 0.01 . . . . . . A 23 ILE HB . 30246 1 163 . 1 1 24 24 ILE HG12 H 1 1.936 0.01 . . . . . . A 23 ILE HG12 . 30246 1 164 . 1 1 24 24 ILE HG13 H 1 1.936 0.01 . . . . . . A 23 ILE HG13 . 30246 1 165 . 1 1 24 24 ILE HG21 H 1 0.158 0.01 . . . . . . A 23 ILE HG21 . 30246 1 166 . 1 1 24 24 ILE HG22 H 1 0.158 0.01 . . . . . . A 23 ILE HG22 . 30246 1 167 . 1 1 24 24 ILE HG23 H 1 0.158 0.01 . . . . . . A 23 ILE HG23 . 30246 1 168 . 1 1 24 24 ILE HD11 H 1 0.843 0.01 . . . . . . A 23 ILE HD11 . 30246 1 169 . 1 1 24 24 ILE HD12 H 1 0.843 0.01 . . . . . . A 23 ILE HD12 . 30246 1 170 . 1 1 24 24 ILE HD13 H 1 0.843 0.01 . . . . . . A 23 ILE HD13 . 30246 1 171 . 1 1 24 24 ILE C C 13 176.662 0.00 . . . . . . A 23 ILE C . 30246 1 172 . 1 1 24 24 ILE CA C 13 66.505 0.17 . . . . . . A 23 ILE CA . 30246 1 173 . 1 1 24 24 ILE CB C 13 38.101 0.05 . . . . . . A 23 ILE CB . 30246 1 174 . 1 1 24 24 ILE CG1 C 13 29.266 0.10 . . . . . . A 23 ILE CG1 . 30246 1 175 . 1 1 24 24 ILE CG2 C 13 17.532 0.04 . . . . . . A 23 ILE CG2 . 30246 1 176 . 1 1 24 24 ILE CD1 C 13 14.210 0.21 . . . . . . A 23 ILE CD1 . 30246 1 177 . 1 1 24 24 ILE N N 15 123.204 0.11 . . . . . . A 23 ILE N . 30246 1 178 . 1 1 25 25 ILE H H 1 8.104 0.01 . . . . . . A 24 ILE H . 30246 1 179 . 1 1 25 25 ILE HA H 1 3.557 0.01 . . . . . . A 24 ILE HA . 30246 1 180 . 1 1 25 25 ILE HB H 1 1.960 0.01 . . . . . . A 24 ILE HB . 30246 1 181 . 1 1 25 25 ILE HG12 H 1 1.344 0.01 . . . . . . A 24 ILE HG12 . 30246 1 182 . 1 1 25 25 ILE HG13 H 1 1.344 0.01 . . . . . . A 24 ILE HG13 . 30246 1 183 . 1 1 25 25 ILE HG21 H 1 1.079 0.01 . . . . . . A 24 ILE HG21 . 30246 1 184 . 1 1 25 25 ILE HG22 H 1 1.079 0.01 . . . . . . A 24 ILE HG22 . 30246 1 185 . 1 1 25 25 ILE HG23 H 1 1.079 0.01 . . . . . . A 24 ILE HG23 . 30246 1 186 . 1 1 25 25 ILE HD11 H 1 0.942 0.01 . . . . . . A 24 ILE HD11 . 30246 1 187 . 1 1 25 25 ILE HD12 H 1 0.942 0.01 . . . . . . A 24 ILE HD12 . 30246 1 188 . 1 1 25 25 ILE HD13 H 1 0.942 0.01 . . . . . . A 24 ILE HD13 . 30246 1 189 . 1 1 25 25 ILE C C 13 177.511 0.00 . . . . . . A 24 ILE C . 30246 1 190 . 1 1 25 25 ILE CA C 13 64.678 0.07 . . . . . . A 24 ILE CA . 30246 1 191 . 1 1 25 25 ILE CB C 13 36.456 0.06 . . . . . . A 24 ILE CB . 30246 1 192 . 1 1 25 25 ILE CG1 C 13 30.409 0.00 . . . . . . A 24 ILE CG1 . 30246 1 193 . 1 1 25 25 ILE CG2 C 13 17.864 0.03 . . . . . . A 24 ILE CG2 . 30246 1 194 . 1 1 25 25 ILE CD1 C 13 13.157 0.05 . . . . . . A 24 ILE CD1 . 30246 1 195 . 1 1 25 25 ILE N N 15 116.902 0.05 . . . . . . A 24 ILE N . 30246 1 196 . 1 1 26 26 ALA H H 1 7.749 0.00 . . . . . . A 25 ALA H . 30246 1 197 . 1 1 26 26 ALA HA H 1 4.349 0.01 . . . . . . A 25 ALA HA . 30246 1 198 . 1 1 26 26 ALA HB1 H 1 1.585 0.00 . . . . . . A 25 ALA HB1 . 30246 1 199 . 1 1 26 26 ALA HB2 H 1 1.585 0.00 . . . . . . A 25 ALA HB2 . 30246 1 200 . 1 1 26 26 ALA HB3 H 1 1.585 0.00 . . . . . . A 25 ALA HB3 . 30246 1 201 . 1 1 26 26 ALA C C 13 181.577 0.00 . . . . . . A 25 ALA C . 30246 1 202 . 1 1 26 26 ALA CA C 13 55.465 0.09 . . . . . . A 25 ALA CA . 30246 1 203 . 1 1 26 26 ALA CB C 13 18.064 0.12 . . . . . . A 25 ALA CB . 30246 1 204 . 1 1 26 26 ALA N N 15 118.913 0.04 . . . . . . A 25 ALA N . 30246 1 205 . 1 1 27 27 GLY H H 1 8.050 0.00 . . . . . . A 26 GLY H . 30246 1 206 . 1 1 27 27 GLY HA3 H 1 3.764 0.01 . . . . . . A 26 GLY HA3 . 30246 1 207 . 1 1 27 27 GLY C C 13 176.983 0.00 . . . . . . A 26 GLY C . 30246 1 208 . 1 1 27 27 GLY CA C 13 47.318 0.02 . . . . . . A 26 GLY CA . 30246 1 209 . 1 1 27 27 GLY N N 15 106.095 0.07 . . . . . . A 26 GLY N . 30246 1 210 . 1 1 28 28 PHE H H 1 9.056 0.00 . . . . . . A 27 PHE H . 30246 1 211 . 1 1 28 28 PHE HA H 1 4.855 0.03 . . . . . . A 27 PHE HA . 30246 1 212 . 1 1 28 28 PHE HB2 H 1 3.381 0.01 . . . . . . A 27 PHE HB2 . 30246 1 213 . 1 1 28 28 PHE HB3 H 1 3.381 0.01 . . . . . . A 27 PHE HB3 . 30246 1 214 . 1 1 28 28 PHE HD1 H 1 7.374 0.01 . . . . . . A 27 PHE HD1 . 30246 1 215 . 1 1 28 28 PHE HD2 H 1 7.374 0.01 . . . . . . A 27 PHE HD2 . 30246 1 216 . 1 1 28 28 PHE C C 13 179.956 0.00 . . . . . . A 27 PHE C . 30246 1 217 . 1 1 28 28 PHE CA C 13 57.378 0.16 . . . . . . A 27 PHE CA . 30246 1 218 . 1 1 28 28 PHE CB C 13 36.170 0.10 . . . . . . A 27 PHE CB . 30246 1 219 . 1 1 28 28 PHE CD1 C 13 129.663 0.02 . . . . . . A 27 PHE CD1 . 30246 1 220 . 1 1 28 28 PHE N N 15 124.366 0.05 . . . . . . A 27 PHE N . 30246 1 221 . 1 1 29 29 ASP H H 1 9.518 0.01 . . . . . . A 28 ASP H . 30246 1 222 . 1 1 29 29 ASP HA H 1 4.157 0.01 . . . . . . A 28 ASP HA . 30246 1 223 . 1 1 29 29 ASP HB2 H 1 3.113 0.01 . . . . . . A 28 ASP HB2 . 30246 1 224 . 1 1 29 29 ASP HB3 H 1 2.912 0.00 . . . . . . A 28 ASP HB3 . 30246 1 225 . 1 1 29 29 ASP C C 13 177.999 0.00 . . . . . . A 28 ASP C . 30246 1 226 . 1 1 29 29 ASP CA C 13 57.990 0.07 . . . . . . A 28 ASP CA . 30246 1 227 . 1 1 29 29 ASP CB C 13 39.042 0.20 . . . . . . A 28 ASP CB . 30246 1 228 . 1 1 29 29 ASP N N 15 122.530 0.03 . . . . . . A 28 ASP N . 30246 1 229 . 1 1 30 30 ARG H H 1 8.221 0.01 . . . . . . A 29 ARG H . 30246 1 230 . 1 1 30 30 ARG HA H 1 4.232 0.01 . . . . . . A 29 ARG HA . 30246 1 231 . 1 1 30 30 ARG HB2 H 1 2.196 0.00 . . . . . . A 29 ARG HB2 . 30246 1 232 . 1 1 30 30 ARG HB3 H 1 2.098 0.05 . . . . . . A 29 ARG HB3 . 30246 1 233 . 1 1 30 30 ARG HG2 H 1 1.789 0.04 . . . . . . A 29 ARG HG2 . 30246 1 234 . 1 1 30 30 ARG HG3 H 1 1.789 0.04 . . . . . . A 29 ARG HG3 . 30246 1 235 . 1 1 30 30 ARG HD2 H 1 3.201 0.01 . . . . . . A 29 ARG HD2 . 30246 1 236 . 1 1 30 30 ARG HD3 H 1 3.201 0.01 . . . . . . A 29 ARG HD3 . 30246 1 237 . 1 1 30 30 ARG C C 13 180.329 0.00 . . . . . . A 29 ARG C . 30246 1 238 . 1 1 30 30 ARG CA C 13 60.041 0.06 . . . . . . A 29 ARG CA . 30246 1 239 . 1 1 30 30 ARG CB C 13 30.224 0.05 . . . . . . A 29 ARG CB . 30246 1 240 . 1 1 30 30 ARG CG C 13 27.538 0.05 . . . . . . A 29 ARG CG . 30246 1 241 . 1 1 30 30 ARG CD C 13 43.524 0.01 . . . . . . A 29 ARG CD . 30246 1 242 . 1 1 30 30 ARG N N 15 120.430 0.05 . . . . . . A 29 ARG N . 30246 1 243 . 1 1 31 31 GLY H H 1 8.103 0.00 . . . . . . A 30 GLY H . 30246 1 244 . 1 1 31 31 GLY HA2 H 1 4.540 0.01 . . . . . . A 30 GLY HA2 . 30246 1 245 . 1 1 31 31 GLY HA3 H 1 4.101 0.01 . . . . . . A 30 GLY HA3 . 30246 1 246 . 1 1 31 31 GLY C C 13 177.140 0.00 . . . . . . A 30 GLY C . 30246 1 247 . 1 1 31 31 GLY CA C 13 47.097 0.04 . . . . . . A 30 GLY CA . 30246 1 248 . 1 1 31 31 GLY N N 15 107.643 0.07 . . . . . . A 30 GLY N . 30246 1 249 . 1 1 32 32 LEU H H 1 8.443 0.00 . . . . . . A 31 LEU H . 30246 1 250 . 1 1 32 32 LEU HA H 1 4.423 0.00 . . . . . . A 31 LEU HA . 30246 1 251 . 1 1 32 32 LEU C C 13 178.035 0.00 . . . . . . A 31 LEU C . 30246 1 252 . 1 1 32 32 LEU CA C 13 58.156 0.02 . . . . . . A 31 LEU CA . 30246 1 253 . 1 1 32 32 LEU CB C 13 40.352 0.15 . . . . . . A 31 LEU CB . 30246 1 254 . 1 1 32 32 LEU N N 15 126.623 0.13 . . . . . . A 31 LEU N . 30246 1 255 . 1 1 33 33 VAL H H 1 8.726 0.00 . . . . . . A 32 VAL H . 30246 1 256 . 1 1 33 33 VAL HA H 1 3.622 0.00 . . . . . . A 32 VAL HA . 30246 1 257 . 1 1 33 33 VAL HB H 1 2.310 0.00 . . . . . . A 32 VAL HB . 30246 1 258 . 1 1 33 33 VAL HG11 H 1 1.272 0.00 . . . . . . A 32 VAL HG11 . 30246 1 259 . 1 1 33 33 VAL HG12 H 1 1.272 0.00 . . . . . . A 32 VAL HG12 . 30246 1 260 . 1 1 33 33 VAL HG13 H 1 1.272 0.00 . . . . . . A 32 VAL HG13 . 30246 1 261 . 1 1 33 33 VAL HG21 H 1 1.061 0.00 . . . . . . A 32 VAL HG21 . 30246 1 262 . 1 1 33 33 VAL HG22 H 1 1.061 0.00 . . . . . . A 32 VAL HG22 . 30246 1 263 . 1 1 33 33 VAL HG23 H 1 1.061 0.00 . . . . . . A 32 VAL HG23 . 30246 1 264 . 1 1 33 33 VAL C C 13 179.101 0.00 . . . . . . A 32 VAL C . 30246 1 265 . 1 1 33 33 VAL CA C 13 67.731 0.05 . . . . . . A 32 VAL CA . 30246 1 266 . 1 1 33 33 VAL CB C 13 31.756 0.06 . . . . . . A 32 VAL CB . 30246 1 267 . 1 1 33 33 VAL CG1 C 13 23.922 0.03 . . . . . . A 32 VAL CG1 . 30246 1 268 . 1 1 33 33 VAL CG2 C 13 21.207 0.06 . . . . . . A 32 VAL CG2 . 30246 1 269 . 1 1 33 33 VAL N N 15 121.138 0.06 . . . . . . A 32 VAL N . 30246 1 270 . 1 1 34 34 LYS H H 1 7.715 0.20 . . . . . . A 33 LYS H . 30246 1 271 . 1 1 34 34 LYS HA H 1 4.082 0.01 . . . . . . A 33 LYS HA . 30246 1 272 . 1 1 34 34 LYS HB2 H 1 2.153 0.01 . . . . . . A 33 LYS HB2 . 30246 1 273 . 1 1 34 34 LYS HB3 H 1 2.153 0.01 . . . . . . A 33 LYS HB3 . 30246 1 274 . 1 1 34 34 LYS HG2 H 1 1.586 0.01 . . . . . . A 33 LYS HG2 . 30246 1 275 . 1 1 34 34 LYS HG3 H 1 1.586 0.01 . . . . . . A 33 LYS HG3 . 30246 1 276 . 1 1 34 34 LYS HE2 H 1 3.081 0.04 . . . . . . A 33 LYS HE2 . 30246 1 277 . 1 1 34 34 LYS HE3 H 1 3.081 0.04 . . . . . . A 33 LYS HE3 . 30246 1 278 . 1 1 34 34 LYS C C 13 175.950 0.00 . . . . . . A 33 LYS C . 30246 1 279 . 1 1 34 34 LYS CA C 13 60.029 0.13 . . . . . . A 33 LYS CA . 30246 1 280 . 1 1 34 34 LYS CB C 13 32.660 0.08 . . . . . . A 33 LYS CB . 30246 1 281 . 1 1 34 34 LYS CG C 13 25.169 0.08 . . . . . . A 33 LYS CG . 30246 1 282 . 1 1 34 34 LYS CE C 13 41.971 0.05 . . . . . . A 33 LYS CE . 30246 1 283 . 1 1 34 34 LYS N N 15 119.101 1.21 . . . . . . A 33 LYS N . 30246 1 284 . 1 1 35 35 TRP H H 1 8.322 0.00 . . . . . . A 34 TRP H . 30246 1 285 . 1 1 35 35 TRP HA H 1 4.362 0.01 . . . . . . A 34 TRP HA . 30246 1 286 . 1 1 35 35 TRP HB2 H 1 2.172 0.01 . . . . . . A 34 TRP HB2 . 30246 1 287 . 1 1 35 35 TRP HB3 H 1 2.172 0.01 . . . . . . A 34 TRP HB3 . 30246 1 288 . 1 1 35 35 TRP HD1 H 1 7.519 0.01 . . . . . . A 34 TRP HD1 . 30246 1 289 . 1 1 35 35 TRP HE1 H 1 10.831 0.01 . . . . . . A 34 TRP HE1 . 30246 1 290 . 1 1 35 35 TRP C C 13 179.496 0.00 . . . . . . A 34 TRP C . 30246 1 291 . 1 1 35 35 TRP CA C 13 62.757 0.15 . . . . . . A 34 TRP CA . 30246 1 292 . 1 1 35 35 TRP CB C 13 29.668 0.06 . . . . . . A 34 TRP CB . 30246 1 293 . 1 1 35 35 TRP CD1 C 13 126.775 0.10 . . . . . . A 34 TRP CD1 . 30246 1 294 . 1 1 35 35 TRP N N 15 122.795 0.14 . . . . . . A 34 TRP N . 30246 1 295 . 1 1 35 35 TRP NE1 N 15 134.491 0.04 . . . . . . A 34 TRP NE1 . 30246 1 296 . 1 1 36 36 LEU H H 1 9.787 0.00 . . . . . . A 35 LEU H . 30246 1 297 . 1 1 36 36 LEU HA H 1 3.665 0.02 . . . . . . A 35 LEU HA . 30246 1 298 . 1 1 36 36 LEU CA C 13 57.202 0.03 . . . . . . A 35 LEU CA . 30246 1 299 . 1 1 36 36 LEU CB C 13 42.261 0.00 . . . . . . A 35 LEU CB . 30246 1 300 . 1 1 36 36 LEU N N 15 119.876 0.14 . . . . . . A 35 LEU N . 30246 1 301 . 1 1 37 37 ARG H H 1 7.760 0.00 . . . . . . A 36 ARG H . 30246 1 302 . 1 1 37 37 ARG HA H 1 4.065 0.03 . . . . . . A 36 ARG HA . 30246 1 303 . 1 1 37 37 ARG HB2 H 1 1.987 0.01 . . . . . . A 36 ARG HB2 . 30246 1 304 . 1 1 37 37 ARG HB3 H 1 1.987 0.01 . . . . . . A 36 ARG HB3 . 30246 1 305 . 1 1 37 37 ARG HG2 H 1 1.748 0.01 . . . . . . A 36 ARG HG2 . 30246 1 306 . 1 1 37 37 ARG HG3 H 1 1.748 0.01 . . . . . . A 36 ARG HG3 . 30246 1 307 . 1 1 37 37 ARG HD2 H 1 3.270 0.01 . . . . . . A 36 ARG HD2 . 30246 1 308 . 1 1 37 37 ARG HD3 H 1 3.270 0.01 . . . . . . A 36 ARG HD3 . 30246 1 309 . 1 1 37 37 ARG C C 13 177.145 0.00 . . . . . . A 36 ARG C . 30246 1 310 . 1 1 37 37 ARG CA C 13 59.435 0.10 . . . . . . A 36 ARG CA . 30246 1 311 . 1 1 37 37 ARG CB C 13 30.120 0.04 . . . . . . A 36 ARG CB . 30246 1 312 . 1 1 37 37 ARG CG C 13 27.708 0.02 . . . . . . A 36 ARG CG . 30246 1 313 . 1 1 37 37 ARG CD C 13 43.432 0.05 . . . . . . A 36 ARG CD . 30246 1 314 . 1 1 37 37 ARG N N 15 119.156 0.07 . . . . . . A 36 ARG N . 30246 1 315 . 1 1 38 38 VAL H H 1 6.964 0.00 . . . . . . A 37 VAL H . 30246 1 316 . 1 1 38 38 VAL HA H 1 3.806 0.01 . . . . . . A 37 VAL HA . 30246 1 317 . 1 1 38 38 VAL HB H 1 1.524 0.01 . . . . . . A 37 VAL HB . 30246 1 318 . 1 1 38 38 VAL HG11 H 1 0.862 0.00 . . . . . . A 37 VAL HG11 . 30246 1 319 . 1 1 38 38 VAL HG12 H 1 0.862 0.00 . . . . . . A 37 VAL HG12 . 30246 1 320 . 1 1 38 38 VAL HG13 H 1 0.862 0.00 . . . . . . A 37 VAL HG13 . 30246 1 321 . 1 1 38 38 VAL HG21 H 1 0.181 0.00 . . . . . . A 37 VAL HG21 . 30246 1 322 . 1 1 38 38 VAL HG22 H 1 0.181 0.00 . . . . . . A 37 VAL HG22 . 30246 1 323 . 1 1 38 38 VAL HG23 H 1 0.181 0.00 . . . . . . A 37 VAL HG23 . 30246 1 324 . 1 1 38 38 VAL C C 13 177.476 0.00 . . . . . . A 37 VAL C . 30246 1 325 . 1 1 38 38 VAL CA C 13 64.181 0.04 . . . . . . A 37 VAL CA . 30246 1 326 . 1 1 38 38 VAL CB C 13 33.865 0.03 . . . . . . A 37 VAL CB . 30246 1 327 . 1 1 38 38 VAL CG1 C 13 21.476 0.02 . . . . . . A 37 VAL CG1 . 30246 1 328 . 1 1 38 38 VAL CG2 C 13 20.188 0.01 . . . . . . A 37 VAL CG2 . 30246 1 329 . 1 1 38 38 VAL N N 15 115.871 0.09 . . . . . . A 37 VAL N . 30246 1 330 . 1 1 39 39 HIS H H 1 7.746 0.01 . . . . . . A 38 HIS H . 30246 1 331 . 1 1 39 39 HIS HA H 1 4.351 0.01 . . . . . . A 38 HIS HA . 30246 1 332 . 1 1 39 39 HIS HD2 H 1 6.858 0.00 . . . . . . A 38 HIS HD2 . 30246 1 333 . 1 1 39 39 HIS HE1 H 1 7.698 0.01 . . . . . . A 38 HIS HE1 . 30246 1 334 . 1 1 39 39 HIS C C 13 176.735 0.00 . . . . . . A 38 HIS C . 30246 1 335 . 1 1 39 39 HIS CA C 13 57.015 0.08 . . . . . . A 38 HIS CA . 30246 1 336 . 1 1 39 39 HIS CB C 13 31.516 0.06 . . . . . . A 38 HIS CB . 30246 1 337 . 1 1 39 39 HIS CD2 C 13 118.110 0.00 . . . . . . A 38 HIS CD2 . 30246 1 338 . 1 1 39 39 HIS CE1 C 13 138.661 0.04 . . . . . . A 38 HIS CE1 . 30246 1 339 . 1 1 39 39 HIS N N 15 116.679 0.08 . . . . . . A 38 HIS N . 30246 1 340 . 1 1 40 40 GLY H H 1 8.290 0.01 . . . . . . A 39 GLY H . 30246 1 341 . 1 1 40 40 GLY HA2 H 1 3.910 0.04 . . . . . . A 39 GLY HA2 . 30246 1 342 . 1 1 40 40 GLY HA3 H 1 3.780 0.00 . . . . . . A 39 GLY HA3 . 30246 1 343 . 1 1 40 40 GLY CA C 13 46.860 0.03 . . . . . . A 39 GLY CA . 30246 1 344 . 1 1 40 40 GLY N N 15 107.699 0.06 . . . . . . A 39 GLY N . 30246 1 345 . 1 1 41 41 ARG HA H 1 4.177 0.00 . . . . . . A 40 ARG HA . 30246 1 346 . 1 1 41 41 ARG HB2 H 1 1.893 0.01 . . . . . . A 40 ARG HB2 . 30246 1 347 . 1 1 41 41 ARG HB3 H 1 1.893 0.01 . . . . . . A 40 ARG HB3 . 30246 1 348 . 1 1 41 41 ARG HG2 H 1 1.637 0.01 . . . . . . A 40 ARG HG2 . 30246 1 349 . 1 1 41 41 ARG HG3 H 1 1.637 0.01 . . . . . . A 40 ARG HG3 . 30246 1 350 . 1 1 41 41 ARG HD2 H 1 3.242 0.01 . . . . . . A 40 ARG HD2 . 30246 1 351 . 1 1 41 41 ARG HD3 H 1 3.242 0.01 . . . . . . A 40 ARG HD3 . 30246 1 352 . 1 1 41 41 ARG CA C 13 58.805 0.00 . . . . . . A 40 ARG CA . 30246 1 353 . 1 1 41 41 ARG CB C 13 29.867 0.13 . . . . . . A 40 ARG CB . 30246 1 354 . 1 1 41 41 ARG CG C 13 27.181 0.03 . . . . . . A 40 ARG CG . 30246 1 355 . 1 1 41 41 ARG CD C 13 43.204 0.06 . . . . . . A 40 ARG CD . 30246 1 356 . 1 1 42 42 THR HA H 1 4.483 0.01 . . . . . . A 41 THR HA . 30246 1 357 . 1 1 42 42 THR HB H 1 4.593 0.01 . . . . . . A 41 THR HB . 30246 1 358 . 1 1 42 42 THR HG21 H 1 1.203 0.00 . . . . . . A 41 THR HG21 . 30246 1 359 . 1 1 42 42 THR HG22 H 1 1.203 0.00 . . . . . . A 41 THR HG22 . 30246 1 360 . 1 1 42 42 THR HG23 H 1 1.203 0.00 . . . . . . A 41 THR HG23 . 30246 1 361 . 1 1 42 42 THR C C 13 174.341 0.00 . . . . . . A 41 THR C . 30246 1 362 . 1 1 42 42 THR CA C 13 61.226 0.11 . . . . . . A 41 THR CA . 30246 1 363 . 1 1 42 42 THR CB C 13 68.875 0.07 . . . . . . A 41 THR CB . 30246 1 364 . 1 1 42 42 THR CG2 C 13 21.598 0.03 . . . . . . A 41 THR CG2 . 30246 1 365 . 1 1 43 43 LEU H H 1 7.294 0.01 . . . . . . A 42 LEU H . 30246 1 366 . 1 1 43 43 LEU HA H 1 4.747 0.02 . . . . . . A 42 LEU HA . 30246 1 367 . 1 1 43 43 LEU HB2 H 1 1.668 0.00 . . . . . . A 42 LEU HB2 . 30246 1 368 . 1 1 43 43 LEU HB3 H 1 1.668 0.00 . . . . . . A 42 LEU HB3 . 30246 1 369 . 1 1 43 43 LEU HD11 H 1 0.905 0.00 . . . . . . A 42 LEU HD11 . 30246 1 370 . 1 1 43 43 LEU HD12 H 1 0.905 0.00 . . . . . . A 42 LEU HD12 . 30246 1 371 . 1 1 43 43 LEU HD13 H 1 0.905 0.00 . . . . . . A 42 LEU HD13 . 30246 1 372 . 1 1 43 43 LEU C C 13 176.990 0.00 . . . . . . A 42 LEU C . 30246 1 373 . 1 1 43 43 LEU CA C 13 54.107 0.10 . . . . . . A 42 LEU CA . 30246 1 374 . 1 1 43 43 LEU CB C 13 43.548 0.08 . . . . . . A 42 LEU CB . 30246 1 375 . 1 1 43 43 LEU CD1 C 13 20.504 0.01 . . . . . . A 42 LEU CD1 . 30246 1 376 . 1 1 43 43 LEU N N 15 121.916 0.07 . . . . . . A 42 LEU N . 30246 1 377 . 1 1 44 44 SER H H 1 9.221 0.01 . . . . . . A 43 SER H . 30246 1 378 . 1 1 44 44 SER HA H 1 4.702 0.01 . . . . . . A 43 SER HA . 30246 1 379 . 1 1 44 44 SER HB2 H 1 4.032 0.00 . . . . . . A 43 SER HB2 . 30246 1 380 . 1 1 44 44 SER HB3 H 1 4.032 0.00 . . . . . . A 43 SER HB3 . 30246 1 381 . 1 1 44 44 SER CA C 13 56.563 0.05 . . . . . . A 43 SER CA . 30246 1 382 . 1 1 44 44 SER CB C 13 65.430 0.08 . . . . . . A 43 SER CB . 30246 1 383 . 1 1 44 44 SER N N 15 118.516 0.04 . . . . . . A 43 SER N . 30246 1 384 . 1 1 45 45 THR HA H 1 3.894 0.01 . . . . . . A 44 THR HA . 30246 1 385 . 1 1 45 45 THR HB H 1 4.265 0.01 . . . . . . A 44 THR HB . 30246 1 386 . 1 1 45 45 THR HG21 H 1 1.276 0.01 . . . . . . A 44 THR HG21 . 30246 1 387 . 1 1 45 45 THR HG22 H 1 1.276 0.01 . . . . . . A 44 THR HG22 . 30246 1 388 . 1 1 45 45 THR HG23 H 1 1.276 0.01 . . . . . . A 44 THR HG23 . 30246 1 389 . 1 1 45 45 THR C C 13 177.027 0.00 . . . . . . A 44 THR C . 30246 1 390 . 1 1 45 45 THR CA C 13 67.216 0.06 . . . . . . A 44 THR CA . 30246 1 391 . 1 1 45 45 THR CB C 13 68.446 0.07 . . . . . . A 44 THR CB . 30246 1 392 . 1 1 45 45 THR CG2 C 13 22.137 0.06 . . . . . . A 44 THR CG2 . 30246 1 393 . 1 1 46 46 VAL H H 1 7.881 0.01 . . . . . . A 45 VAL H . 30246 1 394 . 1 1 46 46 VAL HA H 1 3.601 0.01 . . . . . . A 45 VAL HA . 30246 1 395 . 1 1 46 46 VAL HB H 1 2.112 0.01 . . . . . . A 45 VAL HB . 30246 1 396 . 1 1 46 46 VAL HG11 H 1 1.037 0.01 . . . . . . A 45 VAL HG11 . 30246 1 397 . 1 1 46 46 VAL HG12 H 1 1.037 0.01 . . . . . . A 45 VAL HG12 . 30246 1 398 . 1 1 46 46 VAL HG13 H 1 1.037 0.01 . . . . . . A 45 VAL HG13 . 30246 1 399 . 1 1 46 46 VAL HG21 H 1 1.032 0.00 . . . . . . A 45 VAL HG21 . 30246 1 400 . 1 1 46 46 VAL HG22 H 1 1.032 0.00 . . . . . . A 45 VAL HG22 . 30246 1 401 . 1 1 46 46 VAL HG23 H 1 1.032 0.00 . . . . . . A 45 VAL HG23 . 30246 1 402 . 1 1 46 46 VAL C C 13 178.025 0.00 . . . . . . A 45 VAL C . 30246 1 403 . 1 1 46 46 VAL CA C 13 65.565 0.08 . . . . . . A 45 VAL CA . 30246 1 404 . 1 1 46 46 VAL CB C 13 30.913 0.07 . . . . . . A 45 VAL CB . 30246 1 405 . 1 1 46 46 VAL CG1 C 13 21.886 0.08 . . . . . . A 45 VAL CG1 . 30246 1 406 . 1 1 46 46 VAL CG2 C 13 21.845 0.00 . . . . . . A 45 VAL CG2 . 30246 1 407 . 1 1 46 46 VAL N N 15 114.646 0.08 . . . . . . A 45 VAL N . 30246 1 408 . 1 1 47 47 GLN H H 1 7.553 0.01 . . . . . . A 46 GLN H . 30246 1 409 . 1 1 47 47 GLN HA H 1 4.198 0.01 . . . . . . A 46 GLN HA . 30246 1 410 . 1 1 47 47 GLN HB2 H 1 2.638 0.01 . . . . . . A 46 GLN HB2 . 30246 1 411 . 1 1 47 47 GLN HB3 H 1 2.638 0.01 . . . . . . A 46 GLN HB3 . 30246 1 412 . 1 1 47 47 GLN C C 13 178.097 0.00 . . . . . . A 46 GLN C . 30246 1 413 . 1 1 47 47 GLN CA C 13 59.085 0.06 . . . . . . A 46 GLN CA . 30246 1 414 . 1 1 47 47 GLN CB C 13 29.841 0.06 . . . . . . A 46 GLN CB . 30246 1 415 . 1 1 47 47 GLN N N 15 122.139 0.04 . . . . . . A 46 GLN N . 30246 1 416 . 1 1 48 48 LYS H H 1 7.894 0.01 . . . . . . A 47 LYS H . 30246 1 417 . 1 1 48 48 LYS C C 13 178.825 0.00 . . . . . . A 47 LYS C . 30246 1 418 . 1 1 48 48 LYS CA C 13 61.265 0.10 . . . . . . A 47 LYS CA . 30246 1 419 . 1 1 48 48 LYS CB C 13 31.979 0.08 . . . . . . A 47 LYS CB . 30246 1 420 . 1 1 48 48 LYS N N 15 117.673 0.10 . . . . . . A 47 LYS N . 30246 1 421 . 1 1 49 49 LYS H H 1 7.908 0.01 . . . . . . A 48 LYS H . 30246 1 422 . 1 1 49 49 LYS HE2 H 1 2.804 0.00 . . . . . . A 48 LYS HE2 . 30246 1 423 . 1 1 49 49 LYS C C 13 179.756 0.00 . . . . . . A 48 LYS C . 30246 1 424 . 1 1 49 49 LYS CA C 13 60.269 0.04 . . . . . . A 48 LYS CA . 30246 1 425 . 1 1 49 49 LYS CB C 13 31.281 0.00 . . . . . . A 48 LYS CB . 30246 1 426 . 1 1 49 49 LYS N N 15 117.077 0.05 . . . . . . A 48 LYS N . 30246 1 427 . 1 1 50 50 ALA H H 1 8.133 0.00 . . . . . . A 49 ALA H . 30246 1 428 . 1 1 50 50 ALA HA H 1 4.294 0.02 . . . . . . A 49 ALA HA . 30246 1 429 . 1 1 50 50 ALA HB1 H 1 1.696 0.01 . . . . . . A 49 ALA HB1 . 30246 1 430 . 1 1 50 50 ALA HB2 H 1 1.696 0.01 . . . . . . A 49 ALA HB2 . 30246 1 431 . 1 1 50 50 ALA HB3 H 1 1.696 0.01 . . . . . . A 49 ALA HB3 . 30246 1 432 . 1 1 50 50 ALA C C 13 179.645 0.00 . . . . . . A 49 ALA C . 30246 1 433 . 1 1 50 50 ALA CA C 13 55.679 0.13 . . . . . . A 49 ALA CA . 30246 1 434 . 1 1 50 50 ALA CB C 13 18.733 0.10 . . . . . . A 49 ALA CB . 30246 1 435 . 1 1 50 50 ALA N N 15 122.735 0.05 . . . . . . A 49 ALA N . 30246 1 436 . 1 1 51 51 LEU H H 1 7.729 0.00 . . . . . . A 50 LEU H . 30246 1 437 . 1 1 51 51 LEU HA H 1 4.118 0.00 . . . . . . A 50 LEU HA . 30246 1 438 . 1 1 51 51 LEU HD11 H 1 0.668 0.01 . . . . . . A 50 LEU HD11 . 30246 1 439 . 1 1 51 51 LEU HD12 H 1 0.668 0.01 . . . . . . A 50 LEU HD12 . 30246 1 440 . 1 1 51 51 LEU HD13 H 1 0.668 0.01 . . . . . . A 50 LEU HD13 . 30246 1 441 . 1 1 51 51 LEU C C 13 178.222 0.00 . . . . . . A 50 LEU C . 30246 1 442 . 1 1 51 51 LEU CA C 13 57.907 0.07 . . . . . . A 50 LEU CA . 30246 1 443 . 1 1 51 51 LEU CB C 13 40.758 0.00 . . . . . . A 50 LEU CB . 30246 1 444 . 1 1 51 51 LEU CD1 C 13 23.025 0.08 . . . . . . A 50 LEU CD1 . 30246 1 445 . 1 1 51 51 LEU N N 15 118.720 0.05 . . . . . . A 50 LEU N . 30246 1 446 . 1 1 52 52 TYR H H 1 7.883 0.00 . . . . . . A 51 TYR H . 30246 1 447 . 1 1 52 52 TYR HA H 1 3.959 0.00 . . . . . . A 51 TYR HA . 30246 1 448 . 1 1 52 52 TYR HB2 H 1 3.166 0.01 . . . . . . A 51 TYR HB2 . 30246 1 449 . 1 1 52 52 TYR HB3 H 1 3.166 0.01 . . . . . . A 51 TYR HB3 . 30246 1 450 . 1 1 52 52 TYR C C 13 180.220 0.00 . . . . . . A 51 TYR C . 30246 1 451 . 1 1 52 52 TYR CA C 13 64.410 0.07 . . . . . . A 51 TYR CA . 30246 1 452 . 1 1 52 52 TYR CB C 13 37.383 0.10 . . . . . . A 51 TYR CB . 30246 1 453 . 1 1 52 52 TYR N N 15 119.414 0.09 . . . . . . A 51 TYR N . 30246 1 454 . 1 1 53 53 PHE H H 1 8.195 0.00 . . . . . . A 52 PHE H . 30246 1 455 . 1 1 53 53 PHE HA H 1 4.576 0.01 . . . . . . A 52 PHE HA . 30246 1 456 . 1 1 53 53 PHE HB2 H 1 3.715 0.01 . . . . . . A 52 PHE HB2 . 30246 1 457 . 1 1 53 53 PHE HB3 H 1 3.464 0.03 . . . . . . A 52 PHE HB3 . 30246 1 458 . 1 1 53 53 PHE HD1 H 1 7.378 0.03 . . . . . . A 52 PHE HD1 . 30246 1 459 . 1 1 53 53 PHE HE1 H 1 7.490 0.00 . . . . . . A 52 PHE HE1 . 30246 1 460 . 1 1 53 53 PHE C C 13 177.054 0.00 . . . . . . A 52 PHE C . 30246 1 461 . 1 1 53 53 PHE CA C 13 61.919 0.11 . . . . . . A 52 PHE CA . 30246 1 462 . 1 1 53 53 PHE CB C 13 37.670 0.08 . . . . . . A 52 PHE CB . 30246 1 463 . 1 1 53 53 PHE CD1 C 13 132.751 0.25 . . . . . . A 52 PHE CD1 . 30246 1 464 . 1 1 53 53 PHE N N 15 122.961 0.06 . . . . . . A 52 PHE N . 30246 1 465 . 1 1 54 54 VAL H H 1 8.807 0.01 . . . . . . A 53 VAL H . 30246 1 466 . 1 1 54 54 VAL HA H 1 3.346 0.00 . . . . . . A 53 VAL HA . 30246 1 467 . 1 1 54 54 VAL HB H 1 2.773 0.01 . . . . . . A 53 VAL HB . 30246 1 468 . 1 1 54 54 VAL HG11 H 1 1.281 0.02 . . . . . . A 53 VAL HG11 . 30246 1 469 . 1 1 54 54 VAL HG12 H 1 1.281 0.02 . . . . . . A 53 VAL HG12 . 30246 1 470 . 1 1 54 54 VAL HG13 H 1 1.281 0.02 . . . . . . A 53 VAL HG13 . 30246 1 471 . 1 1 54 54 VAL HG21 H 1 1.076 0.01 . . . . . . A 53 VAL HG21 . 30246 1 472 . 1 1 54 54 VAL HG22 H 1 1.076 0.01 . . . . . . A 53 VAL HG22 . 30246 1 473 . 1 1 54 54 VAL HG23 H 1 1.076 0.01 . . . . . . A 53 VAL HG23 . 30246 1 474 . 1 1 54 54 VAL C C 13 177.683 0.00 . . . . . . A 53 VAL C . 30246 1 475 . 1 1 54 54 VAL CA C 13 66.838 0.13 . . . . . . A 53 VAL CA . 30246 1 476 . 1 1 54 54 VAL CB C 13 30.774 0.09 . . . . . . A 53 VAL CB . 30246 1 477 . 1 1 54 54 VAL CG1 C 13 23.268 0.08 . . . . . . A 53 VAL CG1 . 30246 1 478 . 1 1 54 54 VAL CG2 C 13 20.995 0.02 . . . . . . A 53 VAL CG2 . 30246 1 479 . 1 1 54 54 VAL N N 15 123.429 0.09 . . . . . . A 53 VAL N . 30246 1 480 . 1 1 55 55 ASN H H 1 7.664 0.00 . . . . . . A 54 ASN H . 30246 1 481 . 1 1 55 55 ASN HA H 1 4.527 0.01 . . . . . . A 54 ASN HA . 30246 1 482 . 1 1 55 55 ASN HB2 H 1 2.851 0.01 . . . . . . A 54 ASN HB2 . 30246 1 483 . 1 1 55 55 ASN HB3 H 1 2.851 0.01 . . . . . . A 54 ASN HB3 . 30246 1 484 . 1 1 55 55 ASN C C 13 177.480 0.00 . . . . . . A 54 ASN C . 30246 1 485 . 1 1 55 55 ASN CA C 13 56.040 0.09 . . . . . . A 54 ASN CA . 30246 1 486 . 1 1 55 55 ASN CB C 13 37.973 0.11 . . . . . . A 54 ASN CB . 30246 1 487 . 1 1 55 55 ASN N N 15 118.803 0.04 . . . . . . A 54 ASN N . 30246 1 488 . 1 1 56 56 ARG H H 1 7.220 0.01 . . . . . . A 55 ARG H . 30246 1 489 . 1 1 56 56 ARG HA H 1 4.416 0.00 . . . . . . A 55 ARG HA . 30246 1 490 . 1 1 56 56 ARG C C 13 177.567 0.00 . . . . . . A 55 ARG C . 30246 1 491 . 1 1 56 56 ARG CA C 13 61.232 0.10 . . . . . . A 55 ARG CA . 30246 1 492 . 1 1 56 56 ARG CB C 13 28.782 0.06 . . . . . . A 55 ARG CB . 30246 1 493 . 1 1 56 56 ARG N N 15 117.914 0.14 . . . . . . A 55 ARG N . 30246 1 494 . 1 1 57 57 ARG H H 1 8.530 0.01 . . . . . . A 56 ARG H . 30246 1 495 . 1 1 57 57 ARG HA H 1 4.422 0.00 . . . . . . A 56 ARG HA . 30246 1 496 . 1 1 57 57 ARG C C 13 178.836 0.00 . . . . . . A 56 ARG C . 30246 1 497 . 1 1 57 57 ARG CA C 13 56.981 0.01 . . . . . . A 56 ARG CA . 30246 1 498 . 1 1 57 57 ARG CB C 13 29.439 0.06 . . . . . . A 56 ARG CB . 30246 1 499 . 1 1 57 57 ARG N N 15 120.051 0.07 . . . . . . A 56 ARG N . 30246 1 500 . 1 1 58 58 TYR H H 1 9.405 0.02 . . . . . . A 57 TYR H . 30246 1 501 . 1 1 58 58 TYR HA H 1 4.147 0.01 . . . . . . A 57 TYR HA . 30246 1 502 . 1 1 58 58 TYR HB2 H 1 3.139 0.01 . . . . . . A 57 TYR HB2 . 30246 1 503 . 1 1 58 58 TYR HB3 H 1 3.139 0.01 . . . . . . A 57 TYR HB3 . 30246 1 504 . 1 1 58 58 TYR HD1 H 1 6.766 0.00 . . . . . . A 57 TYR HD1 . 30246 1 505 . 1 1 58 58 TYR HD2 H 1 6.766 0.00 . . . . . . A 57 TYR HD2 . 30246 1 506 . 1 1 58 58 TYR HE1 H 1 6.245 0.00 . . . . . . A 57 TYR HE1 . 30246 1 507 . 1 1 58 58 TYR HE2 H 1 6.245 0.00 . . . . . . A 57 TYR HE2 . 30246 1 508 . 1 1 58 58 TYR C C 13 178.702 0.00 . . . . . . A 57 TYR C . 30246 1 509 . 1 1 58 58 TYR CA C 13 62.521 0.05 . . . . . . A 57 TYR CA . 30246 1 510 . 1 1 58 58 TYR CB C 13 38.670 0.00 . . . . . . A 57 TYR CB . 30246 1 511 . 1 1 58 58 TYR CD1 C 13 132.989 0.07 . . . . . . A 57 TYR CD1 . 30246 1 512 . 1 1 58 58 TYR CE1 C 13 117.785 0.16 . . . . . . A 57 TYR CE1 . 30246 1 513 . 1 1 58 58 TYR N N 15 123.730 0.22 . . . . . . A 57 TYR N . 30246 1 514 . 1 1 59 59 MET H H 1 7.800 0.01 . . . . . . A 58 MET H . 30246 1 515 . 1 1 59 59 MET HA H 1 4.444 0.01 . . . . . . A 58 MET HA . 30246 1 516 . 1 1 59 59 MET HB2 H 1 2.736 0.02 . . . . . . A 58 MET HB2 . 30246 1 517 . 1 1 59 59 MET HB3 H 1 2.736 0.02 . . . . . . A 58 MET HB3 . 30246 1 518 . 1 1 59 59 MET HE1 H 1 1.882 0.01 . . . . . . A 58 MET HE1 . 30246 1 519 . 1 1 59 59 MET HE2 H 1 1.882 0.01 . . . . . . A 58 MET HE2 . 30246 1 520 . 1 1 59 59 MET HE3 H 1 1.882 0.01 . . . . . . A 58 MET HE3 . 30246 1 521 . 1 1 59 59 MET C C 13 177.416 0.00 . . . . . . A 58 MET C . 30246 1 522 . 1 1 59 59 MET CA C 13 60.308 0.06 . . . . . . A 58 MET CA . 30246 1 523 . 1 1 59 59 MET CB C 13 32.291 0.15 . . . . . . A 58 MET CB . 30246 1 524 . 1 1 59 59 MET CE C 13 17.259 0.02 . . . . . . A 58 MET CE . 30246 1 525 . 1 1 59 59 MET N N 15 117.593 0.15 . . . . . . A 58 MET N . 30246 1 526 . 1 1 60 60 GLN H H 1 8.061 0.02 . . . . . . A 59 GLN H . 30246 1 527 . 1 1 60 60 GLN HA H 1 3.997 0.03 . . . . . . A 59 GLN HA . 30246 1 528 . 1 1 60 60 GLN HB2 H 1 2.026 0.01 . . . . . . A 59 GLN HB2 . 30246 1 529 . 1 1 60 60 GLN HB3 H 1 2.026 0.01 . . . . . . A 59 GLN HB3 . 30246 1 530 . 1 1 60 60 GLN HG2 H 1 2.296 0.01 . . . . . . A 59 GLN HG2 . 30246 1 531 . 1 1 60 60 GLN HG3 H 1 2.296 0.01 . . . . . . A 59 GLN HG3 . 30246 1 532 . 1 1 60 60 GLN C C 13 179.813 0.00 . . . . . . A 59 GLN C . 30246 1 533 . 1 1 60 60 GLN CA C 13 60.367 0.05 . . . . . . A 59 GLN CA . 30246 1 534 . 1 1 60 60 GLN CB C 13 30.058 0.11 . . . . . . A 59 GLN CB . 30246 1 535 . 1 1 60 60 GLN N N 15 114.725 0.15 . . . . . . A 59 GLN N . 30246 1 536 . 1 1 61 61 THR H H 1 8.882 0.02 . . . . . . A 60 THR H . 30246 1 537 . 1 1 61 61 THR HA H 1 3.906 0.02 . . . . . . A 60 THR HA . 30246 1 538 . 1 1 61 61 THR HB H 1 4.023 0.01 . . . . . . A 60 THR HB . 30246 1 539 . 1 1 61 61 THR HG21 H 1 0.831 0.02 . . . . . . A 60 THR HG21 . 30246 1 540 . 1 1 61 61 THR HG22 H 1 0.831 0.02 . . . . . . A 60 THR HG22 . 30246 1 541 . 1 1 61 61 THR HG23 H 1 0.831 0.02 . . . . . . A 60 THR HG23 . 30246 1 542 . 1 1 61 61 THR C C 13 175.963 0.00 . . . . . . A 60 THR C . 30246 1 543 . 1 1 61 61 THR CA C 13 65.437 0.15 . . . . . . A 60 THR CA . 30246 1 544 . 1 1 61 61 THR CB C 13 69.208 0.08 . . . . . . A 60 THR CB . 30246 1 545 . 1 1 61 61 THR CG2 C 13 20.908 0.00 . . . . . . A 60 THR CG2 . 30246 1 546 . 1 1 61 61 THR N N 15 113.499 0.67 . . . . . . A 60 THR N . 30246 1 547 . 1 1 62 62 HIS H H 1 7.597 0.01 . . . . . . A 61 HIS H . 30246 1 548 . 1 1 62 62 HIS C C 13 173.741 0.00 . . . . . . A 61 HIS C . 30246 1 549 . 1 1 62 62 HIS CA C 13 57.267 0.09 . . . . . . A 61 HIS CA . 30246 1 550 . 1 1 62 62 HIS CB C 13 29.843 0.16 . . . . . . A 61 HIS CB . 30246 1 551 . 1 1 62 62 HIS N N 15 118.146 0.13 . . . . . . A 61 HIS N . 30246 1 552 . 1 1 63 63 TRP H H 1 7.517 0.01 . . . . . . A 62 TRP H . 30246 1 553 . 1 1 63 63 TRP HA H 1 4.201 0.01 . . . . . . A 62 TRP HA . 30246 1 554 . 1 1 63 63 TRP HB2 H 1 3.147 0.02 . . . . . . A 62 TRP HB2 . 30246 1 555 . 1 1 63 63 TRP HB3 H 1 3.147 0.02 . . . . . . A 62 TRP HB3 . 30246 1 556 . 1 1 63 63 TRP HD1 H 1 6.691 0.02 . . . . . . A 62 TRP HD1 . 30246 1 557 . 1 1 63 63 TRP HE1 H 1 7.603 0.02 . . . . . . A 62 TRP HE1 . 30246 1 558 . 1 1 63 63 TRP C C 13 176.579 0.00 . . . . . . A 62 TRP C . 30246 1 559 . 1 1 63 63 TRP CA C 13 61.413 0.08 . . . . . . A 62 TRP CA . 30246 1 560 . 1 1 63 63 TRP CB C 13 30.092 0.08 . . . . . . A 62 TRP CB . 30246 1 561 . 1 1 63 63 TRP CD1 C 13 126.259 0.02 . . . . . . A 62 TRP CD1 . 30246 1 562 . 1 1 63 63 TRP N N 15 123.079 0.08 . . . . . . A 62 TRP N . 30246 1 563 . 1 1 63 63 TRP NE1 N 15 125.993 0.04 . . . . . . A 62 TRP NE1 . 30246 1 564 . 1 1 64 64 ALA H H 1 8.751 0.01 . . . . . . A 63 ALA H . 30246 1 565 . 1 1 64 64 ALA HA H 1 3.997 0.01 . . . . . . A 63 ALA HA . 30246 1 566 . 1 1 64 64 ALA HB1 H 1 1.473 0.02 . . . . . . A 63 ALA HB1 . 30246 1 567 . 1 1 64 64 ALA HB2 H 1 1.473 0.02 . . . . . . A 63 ALA HB2 . 30246 1 568 . 1 1 64 64 ALA HB3 H 1 1.473 0.02 . . . . . . A 63 ALA HB3 . 30246 1 569 . 1 1 64 64 ALA C C 13 180.698 0.00 . . . . . . A 63 ALA C . 30246 1 570 . 1 1 64 64 ALA CA C 13 55.386 0.09 . . . . . . A 63 ALA CA . 30246 1 571 . 1 1 64 64 ALA CB C 13 17.706 0.09 . . . . . . A 63 ALA CB . 30246 1 572 . 1 1 64 64 ALA N N 15 118.046 0.06 . . . . . . A 63 ALA N . 30246 1 573 . 1 1 65 65 ASN H H 1 7.674 0.01 . . . . . . A 64 ASN H . 30246 1 574 . 1 1 65 65 ASN C C 13 179.094 0.00 . . . . . . A 64 ASN C . 30246 1 575 . 1 1 65 65 ASN CA C 13 56.184 0.07 . . . . . . A 64 ASN CA . 30246 1 576 . 1 1 65 65 ASN CB C 13 38.230 0.06 . . . . . . A 64 ASN CB . 30246 1 577 . 1 1 65 65 ASN N N 15 117.365 0.11 . . . . . . A 64 ASN N . 30246 1 578 . 1 1 66 66 TYR H H 1 8.352 0.02 . . . . . . A 65 TYR H . 30246 1 579 . 1 1 66 66 TYR C C 13 178.924 0.00 . . . . . . A 65 TYR C . 30246 1 580 . 1 1 66 66 TYR CA C 13 58.091 0.04 . . . . . . A 65 TYR CA . 30246 1 581 . 1 1 66 66 TYR CB C 13 35.257 0.02 . . . . . . A 65 TYR CB . 30246 1 582 . 1 1 66 66 TYR N N 15 121.893 0.16 . . . . . . A 65 TYR N . 30246 1 583 . 1 1 67 67 MET H H 1 8.653 0.01 . . . . . . A 66 MET H . 30246 1 584 . 1 1 67 67 MET HA H 1 4.386 0.02 . . . . . . A 66 MET HA . 30246 1 585 . 1 1 67 67 MET HB2 H 1 1.928 0.03 . . . . . . A 66 MET HB2 . 30246 1 586 . 1 1 67 67 MET HB3 H 1 1.928 0.03 . . . . . . A 66 MET HB3 . 30246 1 587 . 1 1 67 67 MET HE1 H 1 1.787 0.00 . . . . . . A 66 MET HE1 . 30246 1 588 . 1 1 67 67 MET HE2 H 1 1.787 0.00 . . . . . . A 66 MET HE2 . 30246 1 589 . 1 1 67 67 MET HE3 H 1 1.787 0.00 . . . . . . A 66 MET HE3 . 30246 1 590 . 1 1 67 67 MET C C 13 178.609 0.00 . . . . . . A 66 MET C . 30246 1 591 . 1 1 67 67 MET CA C 13 56.039 0.09 . . . . . . A 66 MET CA . 30246 1 592 . 1 1 67 67 MET CB C 13 30.460 0.08 . . . . . . A 66 MET CB . 30246 1 593 . 1 1 67 67 MET CE C 13 15.951 0.03 . . . . . . A 66 MET CE . 30246 1 594 . 1 1 67 67 MET N N 15 117.654 0.06 . . . . . . A 66 MET N . 30246 1 595 . 1 1 68 68 LEU H H 1 7.506 0.01 . . . . . . A 67 LEU H . 30246 1 596 . 1 1 68 68 LEU C C 13 179.648 0.00 . . . . . . A 67 LEU C . 30246 1 597 . 1 1 68 68 LEU CA C 13 58.268 0.08 . . . . . . A 67 LEU CA . 30246 1 598 . 1 1 68 68 LEU CB C 13 42.246 0.05 . . . . . . A 67 LEU CB . 30246 1 599 . 1 1 68 68 LEU N N 15 119.331 0.05 . . . . . . A 67 LEU N . 30246 1 600 . 1 1 69 69 TRP H H 1 7.380 0.01 . . . . . . A 68 TRP H . 30246 1 601 . 1 1 69 69 TRP HA H 1 4.261 0.02 . . . . . . A 68 TRP HA . 30246 1 602 . 1 1 69 69 TRP HB2 H 1 3.630 0.02 . . . . . . A 68 TRP HB2 . 30246 1 603 . 1 1 69 69 TRP HB3 H 1 3.465 0.01 . . . . . . A 68 TRP HB3 . 30246 1 604 . 1 1 69 69 TRP HE1 H 1 10.371 0.02 . . . . . . A 68 TRP HE1 . 30246 1 605 . 1 1 69 69 TRP C C 13 177.848 0.00 . . . . . . A 68 TRP C . 30246 1 606 . 1 1 69 69 TRP CA C 13 61.866 0.06 . . . . . . A 68 TRP CA . 30246 1 607 . 1 1 69 69 TRP CB C 13 28.893 0.08 . . . . . . A 68 TRP CB . 30246 1 608 . 1 1 69 69 TRP N N 15 120.881 0.05 . . . . . . A 68 TRP N . 30246 1 609 . 1 1 69 69 TRP NE1 N 15 130.757 0.17 . . . . . . A 68 TRP NE1 . 30246 1 610 . 1 1 70 70 ILE H H 1 9.269 0.11 . . . . . . A 69 ILE H . 30246 1 611 . 1 1 70 70 ILE HA H 1 3.294 0.00 . . . . . . A 69 ILE HA . 30246 1 612 . 1 1 70 70 ILE HB H 1 2.180 0.02 . . . . . . A 69 ILE HB . 30246 1 613 . 1 1 70 70 ILE HG12 H 1 1.897 0.01 . . . . . . A 69 ILE HG12 . 30246 1 614 . 1 1 70 70 ILE HG13 H 1 1.442 0.00 . . . . . . A 69 ILE HG13 . 30246 1 615 . 1 1 70 70 ILE HG21 H 1 0.990 0.02 . . . . . . A 69 ILE HG21 . 30246 1 616 . 1 1 70 70 ILE HG22 H 1 0.990 0.02 . . . . . . A 69 ILE HG22 . 30246 1 617 . 1 1 70 70 ILE HG23 H 1 0.990 0.02 . . . . . . A 69 ILE HG23 . 30246 1 618 . 1 1 70 70 ILE HD11 H 1 0.848 0.01 . . . . . . A 69 ILE HD11 . 30246 1 619 . 1 1 70 70 ILE HD12 H 1 0.848 0.01 . . . . . . A 69 ILE HD12 . 30246 1 620 . 1 1 70 70 ILE HD13 H 1 0.848 0.01 . . . . . . A 69 ILE HD13 . 30246 1 621 . 1 1 70 70 ILE C C 13 177.541 0.00 . . . . . . A 69 ILE C . 30246 1 622 . 1 1 70 70 ILE CA C 13 63.871 0.06 . . . . . . A 69 ILE CA . 30246 1 623 . 1 1 70 70 ILE CB C 13 37.778 0.07 . . . . . . A 69 ILE CB . 30246 1 624 . 1 1 70 70 ILE CG2 C 13 17.596 0.02 . . . . . . A 69 ILE CG2 . 30246 1 625 . 1 1 70 70 ILE CD1 C 13 14.736 0.06 . . . . . . A 69 ILE CD1 . 30246 1 626 . 1 1 70 70 ILE N N 15 119.098 0.54 . . . . . . A 69 ILE N . 30246 1 627 . 1 1 71 71 ASN H H 1 8.763 0.01 . . . . . . A 70 ASN H . 30246 1 628 . 1 1 71 71 ASN HA H 1 4.414 0.01 . . . . . . A 70 ASN HA . 30246 1 629 . 1 1 71 71 ASN HB2 H 1 2.897 0.01 . . . . . . A 70 ASN HB2 . 30246 1 630 . 1 1 71 71 ASN HB3 H 1 2.897 0.01 . . . . . . A 70 ASN HB3 . 30246 1 631 . 1 1 71 71 ASN CA C 13 56.174 0.12 . . . . . . A 70 ASN CA . 30246 1 632 . 1 1 71 71 ASN CB C 13 37.550 0.11 . . . . . . A 70 ASN CB . 30246 1 633 . 1 1 71 71 ASN N N 15 116.877 0.04 . . . . . . A 70 ASN N . 30246 1 634 . 1 1 72 72 LYS H H 1 7.191 0.01 . . . . . . A 71 LYS H . 30246 1 635 . 1 1 72 72 LYS HA H 1 4.095 0.01 . . . . . . A 71 LYS HA . 30246 1 636 . 1 1 72 72 LYS C C 13 179.703 0.00 . . . . . . A 71 LYS C . 30246 1 637 . 1 1 72 72 LYS CA C 13 59.440 0.13 . . . . . . A 71 LYS CA . 30246 1 638 . 1 1 72 72 LYS CB C 13 32.132 0.01 . . . . . . A 71 LYS CB . 30246 1 639 . 1 1 72 72 LYS N N 15 119.222 0.05 . . . . . . A 71 LYS N . 30246 1 640 . 1 1 73 73 LYS H H 1 7.597 0.01 . . . . . . A 72 LYS H . 30246 1 641 . 1 1 73 73 LYS HA H 1 3.775 0.02 . . . . . . A 72 LYS HA . 30246 1 642 . 1 1 73 73 LYS HB2 H 1 1.950 0.02 . . . . . . A 72 LYS HB2 . 30246 1 643 . 1 1 73 73 LYS HB3 H 1 1.950 0.02 . . . . . . A 72 LYS HB3 . 30246 1 644 . 1 1 73 73 LYS C C 13 179.960 0.00 . . . . . . A 72 LYS C . 30246 1 645 . 1 1 73 73 LYS CA C 13 57.224 0.11 . . . . . . A 72 LYS CA . 30246 1 646 . 1 1 73 73 LYS CB C 13 31.407 0.15 . . . . . . A 72 LYS CB . 30246 1 647 . 1 1 73 73 LYS N N 15 119.659 0.07 . . . . . . A 72 LYS N . 30246 1 648 . 1 1 74 74 ILE H H 1 8.712 0.01 . . . . . . A 73 ILE H . 30246 1 649 . 1 1 74 74 ILE HA H 1 3.665 0.00 . . . . . . A 73 ILE HA . 30246 1 650 . 1 1 74 74 ILE HB H 1 2.187 0.01 . . . . . . A 73 ILE HB . 30246 1 651 . 1 1 74 74 ILE HG12 H 1 1.395 0.02 . . . . . . A 73 ILE HG12 . 30246 1 652 . 1 1 74 74 ILE HG13 H 1 1.126 0.01 . . . . . . A 73 ILE HG13 . 30246 1 653 . 1 1 74 74 ILE HG21 H 1 0.871 0.01 . . . . . . A 73 ILE HG21 . 30246 1 654 . 1 1 74 74 ILE HG22 H 1 0.871 0.01 . . . . . . A 73 ILE HG22 . 30246 1 655 . 1 1 74 74 ILE HG23 H 1 0.871 0.01 . . . . . . A 73 ILE HG23 . 30246 1 656 . 1 1 74 74 ILE HD11 H 1 -0.104 0.01 . . . . . . A 73 ILE HD11 . 30246 1 657 . 1 1 74 74 ILE HD12 H 1 -0.104 0.01 . . . . . . A 73 ILE HD12 . 30246 1 658 . 1 1 74 74 ILE HD13 H 1 -0.104 0.01 . . . . . . A 73 ILE HD13 . 30246 1 659 . 1 1 74 74 ILE C C 13 180.303 0.00 . . . . . . A 73 ILE C . 30246 1 660 . 1 1 74 74 ILE CA C 13 61.081 0.07 . . . . . . A 73 ILE CA . 30246 1 661 . 1 1 74 74 ILE CB C 13 35.015 0.07 . . . . . . A 73 ILE CB . 30246 1 662 . 1 1 74 74 ILE CG1 C 13 26.534 0.02 . . . . . . A 73 ILE CG1 . 30246 1 663 . 1 1 74 74 ILE CG2 C 13 17.114 0.05 . . . . . . A 73 ILE CG2 . 30246 1 664 . 1 1 74 74 ILE CD1 C 13 8.682 0.02 . . . . . . A 73 ILE CD1 . 30246 1 665 . 1 1 74 74 ILE N N 15 121.322 0.10 . . . . . . A 73 ILE N . 30246 1 666 . 1 1 75 75 ASP H H 1 8.319 0.01 . . . . . . A 74 ASP H . 30246 1 667 . 1 1 75 75 ASP HA H 1 4.387 0.01 . . . . . . A 74 ASP HA . 30246 1 668 . 1 1 75 75 ASP HB2 H 1 2.756 0.04 . . . . . . A 74 ASP HB2 . 30246 1 669 . 1 1 75 75 ASP HB3 H 1 2.680 0.03 . . . . . . A 74 ASP HB3 . 30246 1 670 . 1 1 75 75 ASP C C 13 177.919 0.00 . . . . . . A 74 ASP C . 30246 1 671 . 1 1 75 75 ASP CA C 13 57.305 0.06 . . . . . . A 74 ASP CA . 30246 1 672 . 1 1 75 75 ASP CB C 13 40.492 0.09 . . . . . . A 74 ASP CB . 30246 1 673 . 1 1 75 75 ASP N N 15 122.296 0.05 . . . . . . A 74 ASP N . 30246 1 674 . 1 1 76 76 ALA H H 1 7.211 0.01 . . . . . . A 75 ALA H . 30246 1 675 . 1 1 76 76 ALA HA H 1 4.298 0.01 . . . . . . A 75 ALA HA . 30246 1 676 . 1 1 76 76 ALA HB1 H 1 1.452 0.01 . . . . . . A 75 ALA HB1 . 30246 1 677 . 1 1 76 76 ALA HB2 H 1 1.452 0.01 . . . . . . A 75 ALA HB2 . 30246 1 678 . 1 1 76 76 ALA HB3 H 1 1.452 0.01 . . . . . . A 75 ALA HB3 . 30246 1 679 . 1 1 76 76 ALA C C 13 178.507 0.00 . . . . . . A 75 ALA C . 30246 1 680 . 1 1 76 76 ALA CA C 13 52.591 0.05 . . . . . . A 75 ALA CA . 30246 1 681 . 1 1 76 76 ALA CB C 13 18.682 0.14 . . . . . . A 75 ALA CB . 30246 1 682 . 1 1 76 76 ALA N N 15 118.745 0.04 . . . . . . A 75 ALA N . 30246 1 683 . 1 1 77 77 LEU H H 1 7.589 0.01 . . . . . . A 76 LEU H . 30246 1 684 . 1 1 77 77 LEU HA H 1 4.049 0.02 . . . . . . A 76 LEU HA . 30246 1 685 . 1 1 77 77 LEU HB2 H 1 1.980 0.01 . . . . . . A 76 LEU HB2 . 30246 1 686 . 1 1 77 77 LEU HB3 H 1 1.980 0.01 . . . . . . A 76 LEU HB3 . 30246 1 687 . 1 1 77 77 LEU HG H 1 1.372 0.00 . . . . . . A 76 LEU HG . 30246 1 688 . 1 1 77 77 LEU HD11 H 1 0.769 0.00 . . . . . . A 76 LEU HD11 . 30246 1 689 . 1 1 77 77 LEU HD12 H 1 0.769 0.00 . . . . . . A 76 LEU HD12 . 30246 1 690 . 1 1 77 77 LEU HD13 H 1 0.769 0.00 . . . . . . A 76 LEU HD13 . 30246 1 691 . 1 1 77 77 LEU C C 13 179.350 0.00 . . . . . . A 76 LEU C . 30246 1 692 . 1 1 77 77 LEU CA C 13 57.129 0.12 . . . . . . A 76 LEU CA . 30246 1 693 . 1 1 77 77 LEU CB C 13 43.417 0.04 . . . . . . A 76 LEU CB . 30246 1 694 . 1 1 77 77 LEU CD1 C 13 22.412 0.01 . . . . . . A 76 LEU CD1 . 30246 1 695 . 1 1 77 77 LEU N N 15 117.899 0.06 . . . . . . A 76 LEU N . 30246 1 696 . 1 1 78 78 GLY H H 1 7.833 0.01 . . . . . . A 77 GLY H . 30246 1 697 . 1 1 78 78 GLY HA2 H 1 3.826 0.00 . . . . . . A 77 GLY HA2 . 30246 1 698 . 1 1 78 78 GLY HA3 H 1 3.826 0.00 . . . . . . A 77 GLY HA3 . 30246 1 699 . 1 1 78 78 GLY C C 13 172.946 0.00 . . . . . . A 77 GLY C . 30246 1 700 . 1 1 78 78 GLY CA C 13 46.188 0.07 . . . . . . A 77 GLY CA . 30246 1 701 . 1 1 78 78 GLY N N 15 103.855 0.05 . . . . . . A 77 GLY N . 30246 1 702 . 1 1 79 79 ARG H H 1 7.212 0.01 . . . . . . A 78 ARG H . 30246 1 703 . 1 1 79 79 ARG HA H 1 4.726 0.01 . . . . . . A 78 ARG HA . 30246 1 704 . 1 1 79 79 ARG C C 13 174.600 0.00 . . . . . . A 78 ARG C . 30246 1 705 . 1 1 79 79 ARG CA C 13 53.791 0.09 . . . . . . A 78 ARG CA . 30246 1 706 . 1 1 79 79 ARG CB C 13 31.072 0.02 . . . . . . A 78 ARG CB . 30246 1 707 . 1 1 79 79 ARG N N 15 112.145 0.05 . . . . . . A 78 ARG N . 30246 1 708 . 1 1 80 80 THR H H 1 8.500 0.01 . . . . . . A 79 THR H . 30246 1 709 . 1 1 80 80 THR HA H 1 4.438 0.00 . . . . . . A 79 THR HA . 30246 1 710 . 1 1 80 80 THR HB H 1 4.112 0.00 . . . . . . A 79 THR HB . 30246 1 711 . 1 1 80 80 THR HG21 H 1 1.493 0.00 . . . . . . A 79 THR HG21 . 30246 1 712 . 1 1 80 80 THR HG22 H 1 1.493 0.00 . . . . . . A 79 THR HG22 . 30246 1 713 . 1 1 80 80 THR HG23 H 1 1.493 0.00 . . . . . . A 79 THR HG23 . 30246 1 714 . 1 1 80 80 THR CA C 13 61.297 0.04 . . . . . . A 79 THR CA . 30246 1 715 . 1 1 80 80 THR CB C 13 69.753 0.06 . . . . . . A 79 THR CB . 30246 1 716 . 1 1 80 80 THR CG2 C 13 21.622 0.03 . . . . . . A 79 THR CG2 . 30246 1 717 . 1 1 80 80 THR N N 15 118.337 0.05 . . . . . . A 79 THR N . 30246 1 718 . 1 1 81 81 PRO HA H 1 4.684 0.00 . . . . . . A 80 PRO HA . 30246 1 719 . 1 1 81 81 PRO HB2 H 1 2.010 0.00 . . . . . . A 80 PRO HB2 . 30246 1 720 . 1 1 81 81 PRO HB3 H 1 1.888 0.02 . . . . . . A 80 PRO HB3 . 30246 1 721 . 1 1 81 81 PRO HD2 H 1 3.904 0.00 . . . . . . A 80 PRO HD2 . 30246 1 722 . 1 1 81 81 PRO HD3 H 1 3.904 0.00 . . . . . . A 80 PRO HD3 . 30246 1 723 . 1 1 81 81 PRO C C 13 175.454 0.00 . . . . . . A 80 PRO C . 30246 1 724 . 1 1 81 81 PRO CA C 13 62.187 0.04 . . . . . . A 80 PRO CA . 30246 1 725 . 1 1 81 81 PRO CB C 13 33.613 0.05 . . . . . . A 80 PRO CB . 30246 1 726 . 1 1 81 81 PRO CD C 13 49.960 0.00 . . . . . . A 80 PRO CD . 30246 1 727 . 1 1 82 82 VAL H H 1 9.162 0.00 . . . . . . A 81 VAL H . 30246 1 728 . 1 1 82 82 VAL HA H 1 4.967 0.03 . . . . . . A 81 VAL HA . 30246 1 729 . 1 1 82 82 VAL HB H 1 2.609 0.01 . . . . . . A 81 VAL HB . 30246 1 730 . 1 1 82 82 VAL HG11 H 1 1.043 0.01 . . . . . . A 81 VAL HG11 . 30246 1 731 . 1 1 82 82 VAL HG12 H 1 1.043 0.01 . . . . . . A 81 VAL HG12 . 30246 1 732 . 1 1 82 82 VAL HG13 H 1 1.043 0.01 . . . . . . A 81 VAL HG13 . 30246 1 733 . 1 1 82 82 VAL HG21 H 1 0.890 0.01 . . . . . . A 81 VAL HG21 . 30246 1 734 . 1 1 82 82 VAL HG22 H 1 0.890 0.01 . . . . . . A 81 VAL HG22 . 30246 1 735 . 1 1 82 82 VAL HG23 H 1 0.890 0.01 . . . . . . A 81 VAL HG23 . 30246 1 736 . 1 1 82 82 VAL C C 13 178.536 0.00 . . . . . . A 81 VAL C . 30246 1 737 . 1 1 82 82 VAL CA C 13 58.991 0.06 . . . . . . A 81 VAL CA . 30246 1 738 . 1 1 82 82 VAL CB C 13 35.839 0.07 . . . . . . A 81 VAL CB . 30246 1 739 . 1 1 82 82 VAL CG1 C 13 22.027 0.04 . . . . . . A 81 VAL CG1 . 30246 1 740 . 1 1 82 82 VAL CG2 C 13 19.003 0.01 . . . . . . A 81 VAL CG2 . 30246 1 741 . 1 1 82 82 VAL N N 15 112.581 0.04 . . . . . . A 81 VAL N . 30246 1 742 . 1 1 83 83 VAL H H 1 9.182 0.01 . . . . . . A 82 VAL H . 30246 1 743 . 1 1 83 83 VAL HA H 1 3.990 0.00 . . . . . . A 82 VAL HA . 30246 1 744 . 1 1 83 83 VAL HB H 1 2.386 0.00 . . . . . . A 82 VAL HB . 30246 1 745 . 1 1 83 83 VAL HG11 H 1 1.307 0.01 . . . . . . A 82 VAL HG11 . 30246 1 746 . 1 1 83 83 VAL HG12 H 1 1.307 0.01 . . . . . . A 82 VAL HG12 . 30246 1 747 . 1 1 83 83 VAL HG13 H 1 1.307 0.01 . . . . . . A 82 VAL HG13 . 30246 1 748 . 1 1 83 83 VAL HG21 H 1 1.175 0.01 . . . . . . A 82 VAL HG21 . 30246 1 749 . 1 1 83 83 VAL HG22 H 1 1.175 0.01 . . . . . . A 82 VAL HG22 . 30246 1 750 . 1 1 83 83 VAL HG23 H 1 1.175 0.01 . . . . . . A 82 VAL HG23 . 30246 1 751 . 1 1 83 83 VAL C C 13 177.796 0.00 . . . . . . A 82 VAL C . 30246 1 752 . 1 1 83 83 VAL CA C 13 67.446 0.07 . . . . . . A 82 VAL CA . 30246 1 753 . 1 1 83 83 VAL CB C 13 31.589 0.06 . . . . . . A 82 VAL CB . 30246 1 754 . 1 1 83 83 VAL CG1 C 13 23.131 0.02 . . . . . . A 82 VAL CG1 . 30246 1 755 . 1 1 83 83 VAL CG2 C 13 20.330 0.03 . . . . . . A 82 VAL CG2 . 30246 1 756 . 1 1 83 83 VAL N N 15 123.037 0.04 . . . . . . A 82 VAL N . 30246 1 757 . 1 1 84 84 GLY H H 1 8.860 0.05 . . . . . . A 83 GLY H . 30246 1 758 . 1 1 84 84 GLY C C 13 176.652 0.00 . . . . . . A 83 GLY C . 30246 1 759 . 1 1 84 84 GLY CA C 13 46.744 0.03 . . . . . . A 83 GLY CA . 30246 1 760 . 1 1 84 84 GLY N N 15 106.673 0.15 . . . . . . A 83 GLY N . 30246 1 761 . 1 1 85 85 ASP H H 1 8.010 0.01 . . . . . . A 84 ASP H . 30246 1 762 . 1 1 85 85 ASP HA H 1 4.393 0.00 . . . . . . A 84 ASP HA . 30246 1 763 . 1 1 85 85 ASP C C 13 177.866 0.00 . . . . . . A 84 ASP C . 30246 1 764 . 1 1 85 85 ASP CA C 13 57.849 0.07 . . . . . . A 84 ASP CA . 30246 1 765 . 1 1 85 85 ASP CB C 13 41.298 0.05 . . . . . . A 84 ASP CB . 30246 1 766 . 1 1 85 85 ASP N N 15 120.604 0.07 . . . . . . A 84 ASP N . 30246 1 767 . 1 1 86 86 TYR H H 1 7.292 0.02 . . . . . . A 85 TYR H . 30246 1 768 . 1 1 86 86 TYR HA H 1 3.956 0.01 . . . . . . A 85 TYR HA . 30246 1 769 . 1 1 86 86 TYR HB2 H 1 3.160 0.01 . . . . . . A 85 TYR HB2 . 30246 1 770 . 1 1 86 86 TYR HB3 H 1 3.160 0.01 . . . . . . A 85 TYR HB3 . 30246 1 771 . 1 1 86 86 TYR HD1 H 1 6.654 0.03 . . . . . . A 85 TYR HD1 . 30246 1 772 . 1 1 86 86 TYR HD2 H 1 6.654 0.03 . . . . . . A 85 TYR HD2 . 30246 1 773 . 1 1 86 86 TYR C C 13 178.268 0.00 . . . . . . A 85 TYR C . 30246 1 774 . 1 1 86 86 TYR CA C 13 63.151 0.06 . . . . . . A 85 TYR CA . 30246 1 775 . 1 1 86 86 TYR CB C 13 38.351 0.09 . . . . . . A 85 TYR CB . 30246 1 776 . 1 1 86 86 TYR CD1 C 13 131.787 0.00 . . . . . . A 85 TYR CD1 . 30246 1 777 . 1 1 86 86 TYR N N 15 118.907 0.07 . . . . . . A 85 TYR N . 30246 1 778 . 1 1 87 87 THR H H 1 8.714 0.01 . . . . . . A 86 THR H . 30246 1 779 . 1 1 87 87 THR HA H 1 3.845 0.02 . . . . . . A 86 THR HA . 30246 1 780 . 1 1 87 87 THR HB H 1 4.276 0.02 . . . . . . A 86 THR HB . 30246 1 781 . 1 1 87 87 THR HG21 H 1 1.294 0.02 . . . . . . A 86 THR HG21 . 30246 1 782 . 1 1 87 87 THR HG22 H 1 1.294 0.02 . . . . . . A 86 THR HG22 . 30246 1 783 . 1 1 87 87 THR HG23 H 1 1.294 0.02 . . . . . . A 86 THR HG23 . 30246 1 784 . 1 1 87 87 THR C C 13 175.702 0.00 . . . . . . A 86 THR C . 30246 1 785 . 1 1 87 87 THR CA C 13 66.994 0.09 . . . . . . A 86 THR CA . 30246 1 786 . 1 1 87 87 THR CB C 13 68.644 0.21 . . . . . . A 86 THR CB . 30246 1 787 . 1 1 87 87 THR CG2 C 13 22.102 0.04 . . . . . . A 86 THR CG2 . 30246 1 788 . 1 1 87 87 THR N N 15 118.891 0.06 . . . . . . A 86 THR N . 30246 1 789 . 1 1 88 88 ARG H H 1 7.649 0.00 . . . . . . A 87 ARG H . 30246 1 790 . 1 1 88 88 ARG HA H 1 4.105 0.00 . . . . . . A 87 ARG HA . 30246 1 791 . 1 1 88 88 ARG HB2 H 1 1.967 0.01 . . . . . . A 87 ARG HB2 . 30246 1 792 . 1 1 88 88 ARG HB3 H 1 1.967 0.01 . . . . . . A 87 ARG HB3 . 30246 1 793 . 1 1 88 88 ARG HG2 H 1 1.579 0.00 . . . . . . A 87 ARG HG2 . 30246 1 794 . 1 1 88 88 ARG HG3 H 1 1.579 0.00 . . . . . . A 87 ARG HG3 . 30246 1 795 . 1 1 88 88 ARG C C 13 179.552 0.00 . . . . . . A 87 ARG C . 30246 1 796 . 1 1 88 88 ARG CA C 13 59.761 0.07 . . . . . . A 87 ARG CA . 30246 1 797 . 1 1 88 88 ARG CB C 13 30.124 0.11 . . . . . . A 87 ARG CB . 30246 1 798 . 1 1 88 88 ARG N N 15 119.830 0.06 . . . . . . A 87 ARG N . 30246 1 799 . 1 1 89 89 LEU H H 1 7.945 0.01 . . . . . . A 88 LEU H . 30246 1 800 . 1 1 89 89 LEU HB2 H 1 1.846 0.02 . . . . . . A 88 LEU HB2 . 30246 1 801 . 1 1 89 89 LEU HB3 H 1 1.846 0.02 . . . . . . A 88 LEU HB3 . 30246 1 802 . 1 1 89 89 LEU HD11 H 1 0.545 0.02 . . . . . . A 88 LEU HD11 . 30246 1 803 . 1 1 89 89 LEU HD12 H 1 0.545 0.02 . . . . . . A 88 LEU HD12 . 30246 1 804 . 1 1 89 89 LEU HD13 H 1 0.545 0.02 . . . . . . A 88 LEU HD13 . 30246 1 805 . 1 1 89 89 LEU C C 13 179.315 0.00 . . . . . . A 88 LEU C . 30246 1 806 . 1 1 89 89 LEU CA C 13 57.897 0.06 . . . . . . A 88 LEU CA . 30246 1 807 . 1 1 89 89 LEU CB C 13 38.181 5.59 . . . . . . A 88 LEU CB . 30246 1 808 . 1 1 89 89 LEU CD1 C 13 27.039 0.02 . . . . . . A 88 LEU CD1 . 30246 1 809 . 1 1 89 89 LEU N N 15 119.808 0.09 . . . . . . A 88 LEU N . 30246 1 810 . 1 1 90 90 GLY H H 1 9.053 0.01 . . . . . . A 89 GLY H . 30246 1 811 . 1 1 90 90 GLY HA2 H 1 3.754 0.01 . . . . . . A 89 GLY HA2 . 30246 1 812 . 1 1 90 90 GLY HA3 H 1 3.754 0.01 . . . . . . A 89 GLY HA3 . 30246 1 813 . 1 1 90 90 GLY C C 13 174.827 0.00 . . . . . . A 89 GLY C . 30246 1 814 . 1 1 90 90 GLY CA C 13 47.818 0.06 . . . . . . A 89 GLY CA . 30246 1 815 . 1 1 90 90 GLY N N 15 107.012 0.05 . . . . . . A 89 GLY N . 30246 1 816 . 1 1 91 91 ALA H H 1 8.279 0.00 . . . . . . A 90 ALA H . 30246 1 817 . 1 1 91 91 ALA HA H 1 4.106 0.01 . . . . . . A 90 ALA HA . 30246 1 818 . 1 1 91 91 ALA HB1 H 1 1.582 0.01 . . . . . . A 90 ALA HB1 . 30246 1 819 . 1 1 91 91 ALA HB2 H 1 1.582 0.01 . . . . . . A 90 ALA HB2 . 30246 1 820 . 1 1 91 91 ALA HB3 H 1 1.582 0.01 . . . . . . A 90 ALA HB3 . 30246 1 821 . 1 1 91 91 ALA C C 13 180.381 0.00 . . . . . . A 90 ALA C . 30246 1 822 . 1 1 91 91 ALA CA C 13 54.612 0.02 . . . . . . A 90 ALA CA . 30246 1 823 . 1 1 91 91 ALA CB C 13 17.654 0.10 . . . . . . A 90 ALA CB . 30246 1 824 . 1 1 91 91 ALA N N 15 123.279 0.04 . . . . . . A 90 ALA N . 30246 1 825 . 1 1 92 92 GLU H H 1 7.868 0.01 . . . . . . A 91 GLU H . 30246 1 826 . 1 1 92 92 GLU HA H 1 4.066 0.01 . . . . . . A 91 GLU HA . 30246 1 827 . 1 1 92 92 GLU HB2 H 1 2.418 0.02 . . . . . . A 91 GLU HB2 . 30246 1 828 . 1 1 92 92 GLU HB3 H 1 2.418 0.02 . . . . . . A 91 GLU HB3 . 30246 1 829 . 1 1 92 92 GLU HG2 H 1 2.437 0.02 . . . . . . A 91 GLU HG2 . 30246 1 830 . 1 1 92 92 GLU HG3 H 1 2.437 0.02 . . . . . . A 91 GLU HG3 . 30246 1 831 . 1 1 92 92 GLU C C 13 178.915 0.00 . . . . . . A 91 GLU C . 30246 1 832 . 1 1 92 92 GLU CA C 13 59.891 0.06 . . . . . . A 91 GLU CA . 30246 1 833 . 1 1 92 92 GLU CB C 13 29.059 0.08 . . . . . . A 91 GLU CB . 30246 1 834 . 1 1 92 92 GLU CG C 13 36.296 0.00 . . . . . . A 91 GLU CG . 30246 1 835 . 1 1 92 92 GLU N N 15 119.928 0.07 . . . . . . A 91 GLU N . 30246 1 836 . 1 1 93 93 ILE H H 1 7.864 0.00 . . . . . . A 92 ILE H . 30246 1 837 . 1 1 93 93 ILE HA H 1 3.217 0.01 . . . . . . A 92 ILE HA . 30246 1 838 . 1 1 93 93 ILE HB H 1 1.608 0.01 . . . . . . A 92 ILE HB . 30246 1 839 . 1 1 93 93 ILE HG12 H 1 0.317 0.01 . . . . . . A 92 ILE HG12 . 30246 1 840 . 1 1 93 93 ILE HG13 H 1 0.317 0.01 . . . . . . A 92 ILE HG13 . 30246 1 841 . 1 1 93 93 ILE HG21 H 1 0.213 0.01 . . . . . . A 92 ILE HG21 . 30246 1 842 . 1 1 93 93 ILE HG22 H 1 0.213 0.01 . . . . . . A 92 ILE HG22 . 30246 1 843 . 1 1 93 93 ILE HG23 H 1 0.213 0.01 . . . . . . A 92 ILE HG23 . 30246 1 844 . 1 1 93 93 ILE HD11 H 1 0.588 0.01 . . . . . . A 92 ILE HD11 . 30246 1 845 . 1 1 93 93 ILE HD12 H 1 0.588 0.01 . . . . . . A 92 ILE HD12 . 30246 1 846 . 1 1 93 93 ILE HD13 H 1 0.588 0.01 . . . . . . A 92 ILE HD13 . 30246 1 847 . 1 1 93 93 ILE C C 13 177.568 0.00 . . . . . . A 92 ILE C . 30246 1 848 . 1 1 93 93 ILE CA C 13 65.970 0.06 . . . . . . A 92 ILE CA . 30246 1 849 . 1 1 93 93 ILE CB C 13 37.543 0.09 . . . . . . A 92 ILE CB . 30246 1 850 . 1 1 93 93 ILE CG1 C 13 29.244 0.02 . . . . . . A 92 ILE CG1 . 30246 1 851 . 1 1 93 93 ILE CG2 C 13 16.568 0.02 . . . . . . A 92 ILE CG2 . 30246 1 852 . 1 1 93 93 ILE CD1 C 13 13.419 0.03 . . . . . . A 92 ILE CD1 . 30246 1 853 . 1 1 93 93 ILE N N 15 120.508 0.07 . . . . . . A 92 ILE N . 30246 1 854 . 1 1 94 94 GLY H H 1 8.120 0.00 . . . . . . A 93 GLY H . 30246 1 855 . 1 1 94 94 GLY HA2 H 1 3.677 0.00 . . . . . . A 93 GLY HA2 . 30246 1 856 . 1 1 94 94 GLY HA3 H 1 3.677 0.00 . . . . . . A 93 GLY HA3 . 30246 1 857 . 1 1 94 94 GLY C C 13 173.521 0.00 . . . . . . A 93 GLY C . 30246 1 858 . 1 1 94 94 GLY CA C 13 47.138 0.03 . . . . . . A 93 GLY CA . 30246 1 859 . 1 1 94 94 GLY N N 15 101.837 0.11 . . . . . . A 93 GLY N . 30246 1 860 . 1 1 95 95 ARG H H 1 7.468 0.01 . . . . . . A 94 ARG H . 30246 1 861 . 1 1 95 95 ARG HA H 1 4.653 0.01 . . . . . . A 94 ARG HA . 30246 1 862 . 1 1 95 95 ARG HB2 H 1 1.996 0.00 . . . . . . A 94 ARG HB2 . 30246 1 863 . 1 1 95 95 ARG HB3 H 1 1.857 0.00 . . . . . . A 94 ARG HB3 . 30246 1 864 . 1 1 95 95 ARG HG2 H 1 1.701 0.00 . . . . . . A 94 ARG HG2 . 30246 1 865 . 1 1 95 95 ARG HG3 H 1 1.701 0.00 . . . . . . A 94 ARG HG3 . 30246 1 866 . 1 1 95 95 ARG C C 13 177.621 0.00 . . . . . . A 94 ARG C . 30246 1 867 . 1 1 95 95 ARG CA C 13 56.231 0.05 . . . . . . A 94 ARG CA . 30246 1 868 . 1 1 95 95 ARG CB C 13 31.554 0.05 . . . . . . A 94 ARG CB . 30246 1 869 . 1 1 95 95 ARG N N 15 115.504 0.02 . . . . . . A 94 ARG N . 30246 1 870 . 1 1 96 96 ARG H H 1 8.042 0.01 . . . . . . A 95 ARG H . 30246 1 871 . 1 1 96 96 ARG N N 15 120.283 0.05 . . . . . . A 95 ARG N . 30246 1 872 . 1 1 97 97 ILE HA H 1 3.987 0.01 . . . . . . A 96 ILE HA . 30246 1 873 . 1 1 97 97 ILE HB H 1 2.027 0.01 . . . . . . A 96 ILE HB . 30246 1 874 . 1 1 97 97 ILE HG21 H 1 0.675 0.01 . . . . . . A 96 ILE HG21 . 30246 1 875 . 1 1 97 97 ILE HG22 H 1 0.675 0.01 . . . . . . A 96 ILE HG22 . 30246 1 876 . 1 1 97 97 ILE HG23 H 1 0.675 0.01 . . . . . . A 96 ILE HG23 . 30246 1 877 . 1 1 97 97 ILE HD11 H 1 0.800 0.00 . . . . . . A 96 ILE HD11 . 30246 1 878 . 1 1 97 97 ILE HD12 H 1 0.800 0.00 . . . . . . A 96 ILE HD12 . 30246 1 879 . 1 1 97 97 ILE HD13 H 1 0.800 0.00 . . . . . . A 96 ILE HD13 . 30246 1 880 . 1 1 97 97 ILE CA C 13 60.094 0.02 . . . . . . A 96 ILE CA . 30246 1 881 . 1 1 97 97 ILE CB C 13 37.009 0.10 . . . . . . A 96 ILE CB . 30246 1 882 . 1 1 97 97 ILE CG2 C 13 17.511 0.02 . . . . . . A 96 ILE CG2 . 30246 1 883 . 1 1 97 97 ILE CD1 C 13 11.681 0.00 . . . . . . A 96 ILE CD1 . 30246 1 884 . 1 1 99 99 MET C C 13 176.871 0.00 . . . . . . A 98 MET C . 30246 1 885 . 1 1 99 99 MET CA C 13 54.904 0.00 . . . . . . A 98 MET CA . 30246 1 886 . 1 1 99 99 MET CB C 13 31.289 0.00 . . . . . . A 98 MET CB . 30246 1 887 . 1 1 100 100 ALA H H 1 7.938 0.01 . . . . . . A 99 ALA H . 30246 1 888 . 1 1 100 100 ALA HA H 1 3.598 0.01 . . . . . . A 99 ALA HA . 30246 1 889 . 1 1 100 100 ALA HB1 H 1 1.603 0.01 . . . . . . A 99 ALA HB1 . 30246 1 890 . 1 1 100 100 ALA HB2 H 1 1.603 0.01 . . . . . . A 99 ALA HB2 . 30246 1 891 . 1 1 100 100 ALA HB3 H 1 1.603 0.01 . . . . . . A 99 ALA HB3 . 30246 1 892 . 1 1 100 100 ALA C C 13 178.099 0.00 . . . . . . A 99 ALA C . 30246 1 893 . 1 1 100 100 ALA CA C 13 55.649 0.05 . . . . . . A 99 ALA CA . 30246 1 894 . 1 1 100 100 ALA CB C 13 18.157 0.12 . . . . . . A 99 ALA CB . 30246 1 895 . 1 1 100 100 ALA N N 15 122.092 0.08 . . . . . . A 99 ALA N . 30246 1 896 . 1 1 101 101 TYR H H 1 7.236 0.01 . . . . . . A 100 TYR H . 30246 1 897 . 1 1 101 101 TYR C C 13 177.752 0.00 . . . . . . A 100 TYR C . 30246 1 898 . 1 1 101 101 TYR CA C 13 59.913 0.03 . . . . . . A 100 TYR CA . 30246 1 899 . 1 1 101 101 TYR CB C 13 38.007 0.00 . . . . . . A 100 TYR CB . 30246 1 900 . 1 1 101 101 TYR N N 15 113.674 0.04 . . . . . . A 100 TYR N . 30246 1 901 . 1 1 102 102 PHE H H 1 6.950 0.00 . . . . . . A 101 PHE H . 30246 1 902 . 1 1 102 102 PHE HA H 1 4.079 0.00 . . . . . . A 101 PHE HA . 30246 1 903 . 1 1 102 102 PHE HD1 H 1 6.888 0.01 . . . . . . A 101 PHE HD1 . 30246 1 904 . 1 1 102 102 PHE C C 13 177.232 0.00 . . . . . . A 101 PHE C . 30246 1 905 . 1 1 102 102 PHE CA C 13 59.597 0.11 . . . . . . A 101 PHE CA . 30246 1 906 . 1 1 102 102 PHE CB C 13 38.740 0.00 . . . . . . A 101 PHE CB . 30246 1 907 . 1 1 102 102 PHE CD1 C 13 130.126 0.11 . . . . . . A 101 PHE CD1 . 30246 1 908 . 1 1 102 102 PHE N N 15 122.527 0.12 . . . . . . A 101 PHE N . 30246 1 909 . 1 1 103 103 TYR H H 1 7.499 0.00 . . . . . . A 102 TYR H . 30246 1 910 . 1 1 103 103 TYR HB2 H 1 2.660 0.01 . . . . . . A 102 TYR HB2 . 30246 1 911 . 1 1 103 103 TYR HB3 H 1 2.660 0.01 . . . . . . A 102 TYR HB3 . 30246 1 912 . 1 1 103 103 TYR C C 13 178.109 0.00 . . . . . . A 102 TYR C . 30246 1 913 . 1 1 103 103 TYR CA C 13 58.128 0.04 . . . . . . A 102 TYR CA . 30246 1 914 . 1 1 103 103 TYR CB C 13 33.734 0.07 . . . . . . A 102 TYR CB . 30246 1 915 . 1 1 103 103 TYR N N 15 119.426 0.05 . . . . . . A 102 TYR N . 30246 1 916 . 1 1 104 104 ASP H H 1 8.426 0.01 . . . . . . A 103 ASP H . 30246 1 917 . 1 1 104 104 ASP HA H 1 3.960 0.02 . . . . . . A 103 ASP HA . 30246 1 918 . 1 1 104 104 ASP HB2 H 1 2.995 0.05 . . . . . . A 103 ASP HB2 . 30246 1 919 . 1 1 104 104 ASP HB3 H 1 2.995 0.05 . . . . . . A 103 ASP HB3 . 30246 1 920 . 1 1 104 104 ASP C C 13 177.818 0.00 . . . . . . A 103 ASP C . 30246 1 921 . 1 1 104 104 ASP CA C 13 57.883 0.08 . . . . . . A 103 ASP CA . 30246 1 922 . 1 1 104 104 ASP CB C 13 40.706 0.13 . . . . . . A 103 ASP CB . 30246 1 923 . 1 1 104 104 ASP N N 15 116.100 0.05 . . . . . . A 103 ASP N . 30246 1 924 . 1 1 105 105 ALA H H 1 7.304 0.01 . . . . . . A 104 ALA H . 30246 1 925 . 1 1 105 105 ALA HA H 1 4.118 0.01 . . . . . . A 104 ALA HA . 30246 1 926 . 1 1 105 105 ALA HB1 H 1 1.354 0.01 . . . . . . A 104 ALA HB1 . 30246 1 927 . 1 1 105 105 ALA HB2 H 1 1.354 0.01 . . . . . . A 104 ALA HB2 . 30246 1 928 . 1 1 105 105 ALA HB3 H 1 1.354 0.01 . . . . . . A 104 ALA HB3 . 30246 1 929 . 1 1 105 105 ALA C C 13 180.121 0.00 . . . . . . A 104 ALA C . 30246 1 930 . 1 1 105 105 ALA CA C 13 55.015 0.10 . . . . . . A 104 ALA CA . 30246 1 931 . 1 1 105 105 ALA CB C 13 17.911 0.11 . . . . . . A 104 ALA CB . 30246 1 932 . 1 1 105 105 ALA N N 15 121.545 0.07 . . . . . . A 104 ALA N . 30246 1 933 . 1 1 106 106 LEU H H 1 7.945 0.02 . . . . . . A 105 LEU H . 30246 1 934 . 1 1 106 106 LEU C C 13 179.171 0.00 . . . . . . A 105 LEU C . 30246 1 935 . 1 1 106 106 LEU CA C 13 57.741 0.06 . . . . . . A 105 LEU CA . 30246 1 936 . 1 1 106 106 LEU N N 15 116.687 0.22 . . . . . . A 105 LEU N . 30246 1 937 . 1 1 107 107 LYS H H 1 8.471 0.01 . . . . . . A 106 LYS H . 30246 1 938 . 1 1 107 107 LYS C C 13 180.482 0.00 . . . . . . A 106 LYS C . 30246 1 939 . 1 1 107 107 LYS CA C 13 59.659 0.09 . . . . . . A 106 LYS CA . 30246 1 940 . 1 1 107 107 LYS CB C 13 32.816 0.03 . . . . . . A 106 LYS CB . 30246 1 941 . 1 1 107 107 LYS N N 15 118.635 0.05 . . . . . . A 106 LYS N . 30246 1 942 . 1 1 108 108 ASP H H 1 9.247 0.01 . . . . . . A 107 ASP H . 30246 1 943 . 1 1 108 108 ASP HA H 1 4.449 0.01 . . . . . . A 107 ASP HA . 30246 1 944 . 1 1 108 108 ASP HB2 H 1 2.847 0.01 . . . . . . A 107 ASP HB2 . 30246 1 945 . 1 1 108 108 ASP HB3 H 1 2.847 0.01 . . . . . . A 107 ASP HB3 . 30246 1 946 . 1 1 108 108 ASP C C 13 178.105 0.00 . . . . . . A 107 ASP C . 30246 1 947 . 1 1 108 108 ASP CA C 13 57.493 0.12 . . . . . . A 107 ASP CA . 30246 1 948 . 1 1 108 108 ASP CB C 13 40.832 0.08 . . . . . . A 107 ASP CB . 30246 1 949 . 1 1 108 108 ASP N N 15 120.716 0.06 . . . . . . A 107 ASP N . 30246 1 950 . 1 1 109 109 LYS H H 1 7.664 0.01 . . . . . . A 108 LYS H . 30246 1 951 . 1 1 109 109 LYS HA H 1 4.422 0.00 . . . . . . A 108 LYS HA . 30246 1 952 . 1 1 109 109 LYS C C 13 175.648 0.00 . . . . . . A 108 LYS C . 30246 1 953 . 1 1 109 109 LYS CA C 13 55.371 0.13 . . . . . . A 108 LYS CA . 30246 1 954 . 1 1 109 109 LYS CB C 13 32.269 0.00 . . . . . . A 108 LYS CB . 30246 1 955 . 1 1 109 109 LYS N N 15 114.855 0.12 . . . . . . A 108 LYS N . 30246 1 956 . 1 1 110 110 ASN H H 1 8.167 0.45 . . . . . . A 109 ASN H . 30246 1 957 . 1 1 110 110 ASN HA H 1 4.651 0.01 . . . . . . A 109 ASN HA . 30246 1 958 . 1 1 110 110 ASN HB2 H 1 3.236 0.00 . . . . . . A 109 ASN HB2 . 30246 1 959 . 1 1 110 110 ASN HB3 H 1 2.811 0.00 . . . . . . A 109 ASN HB3 . 30246 1 960 . 1 1 110 110 ASN HD21 H 1 7.629 0.00 . . . . . . A 109 ASN HD21 . 30246 1 961 . 1 1 110 110 ASN HD22 H 1 6.911 0.01 . . . . . . A 109 ASN HD22 . 30246 1 962 . 1 1 110 110 ASN C C 13 175.632 0.00 . . . . . . A 109 ASN C . 30246 1 963 . 1 1 110 110 ASN CA C 13 54.260 0.12 . . . . . . A 109 ASN CA . 30246 1 964 . 1 1 110 110 ASN CB C 13 36.748 0.09 . . . . . . A 109 ASN CB . 30246 1 965 . 1 1 110 110 ASN CG C 13 178.685 0.01 . . . . . . A 109 ASN CG . 30246 1 966 . 1 1 110 110 ASN N N 15 116.770 0.63 . . . . . . A 109 ASN N . 30246 1 967 . 1 1 110 110 ASN ND2 N 15 112.206 0.06 . . . . . . A 109 ASN ND2 . 30246 1 968 . 1 1 111 111 MET H H 1 9.017 0.01 . . . . . . A 110 MET H . 30246 1 969 . 1 1 111 111 MET HA H 1 4.733 0.01 . . . . . . A 110 MET HA . 30246 1 970 . 1 1 111 111 MET HB2 H 1 1.670 0.01 . . . . . . A 110 MET HB2 . 30246 1 971 . 1 1 111 111 MET HB3 H 1 1.670 0.01 . . . . . . A 110 MET HB3 . 30246 1 972 . 1 1 111 111 MET HG2 H 1 2.605 0.01 . . . . . . A 110 MET HG2 . 30246 1 973 . 1 1 111 111 MET HG3 H 1 2.476 0.04 . . . . . . A 110 MET HG3 . 30246 1 974 . 1 1 111 111 MET HE1 H 1 1.928 0.00 . . . . . . A 110 MET HE1 . 30246 1 975 . 1 1 111 111 MET HE2 H 1 1.928 0.00 . . . . . . A 110 MET HE2 . 30246 1 976 . 1 1 111 111 MET HE3 H 1 1.928 0.00 . . . . . . A 110 MET HE3 . 30246 1 977 . 1 1 111 111 MET C C 13 176.117 0.00 . . . . . . A 110 MET C . 30246 1 978 . 1 1 111 111 MET CA C 13 54.198 0.09 . . . . . . A 110 MET CA . 30246 1 979 . 1 1 111 111 MET CB C 13 34.550 0.08 . . . . . . A 110 MET CB . 30246 1 980 . 1 1 111 111 MET CG C 13 32.020 0.03 . . . . . . A 110 MET CG . 30246 1 981 . 1 1 111 111 MET CE C 13 17.924 0.00 . . . . . . A 110 MET CE . 30246 1 982 . 1 1 111 111 MET N N 15 115.652 0.03 . . . . . . A 110 MET N . 30246 1 983 . 1 1 112 112 ILE H H 1 8.322 0.01 . . . . . . A 111 ILE H . 30246 1 984 . 1 1 112 112 ILE HA H 1 3.876 0.01 . . . . . . A 111 ILE HA . 30246 1 985 . 1 1 112 112 ILE HB H 1 2.057 0.02 . . . . . . A 111 ILE HB . 30246 1 986 . 1 1 112 112 ILE HG12 H 1 1.733 0.01 . . . . . . A 111 ILE HG12 . 30246 1 987 . 1 1 112 112 ILE HG13 H 1 1.733 0.01 . . . . . . A 111 ILE HG13 . 30246 1 988 . 1 1 112 112 ILE HG21 H 1 1.046 0.00 . . . . . . A 111 ILE HG21 . 30246 1 989 . 1 1 112 112 ILE HG22 H 1 1.046 0.00 . . . . . . A 111 ILE HG22 . 30246 1 990 . 1 1 112 112 ILE HG23 H 1 1.046 0.00 . . . . . . A 111 ILE HG23 . 30246 1 991 . 1 1 112 112 ILE HD11 H 1 0.953 0.01 . . . . . . A 111 ILE HD11 . 30246 1 992 . 1 1 112 112 ILE HD12 H 1 0.953 0.01 . . . . . . A 111 ILE HD12 . 30246 1 993 . 1 1 112 112 ILE HD13 H 1 0.953 0.01 . . . . . . A 111 ILE HD13 . 30246 1 994 . 1 1 112 112 ILE CA C 13 61.980 0.04 . . . . . . A 111 ILE CA . 30246 1 995 . 1 1 112 112 ILE CB C 13 37.400 0.05 . . . . . . A 111 ILE CB . 30246 1 996 . 1 1 112 112 ILE CG1 C 13 27.054 0.00 . . . . . . A 111 ILE CG1 . 30246 1 997 . 1 1 112 112 ILE CG2 C 13 17.262 0.04 . . . . . . A 111 ILE CG2 . 30246 1 998 . 1 1 112 112 ILE CD1 C 13 14.062 0.02 . . . . . . A 111 ILE CD1 . 30246 1 999 . 1 1 112 112 ILE N N 15 124.500 0.10 . . . . . . A 111 ILE N . 30246 1 1000 . 1 1 113 113 PRO HA H 1 4.315 0.01 . . . . . . A 112 PRO HA . 30246 1 1001 . 1 1 113 113 PRO HB2 H 1 1.950 0.01 . . . . . . A 112 PRO HB2 . 30246 1 1002 . 1 1 113 113 PRO HB3 H 1 1.950 0.01 . . . . . . A 112 PRO HB3 . 30246 1 1003 . 1 1 113 113 PRO C C 13 175.720 0.00 . . . . . . A 112 PRO C . 30246 1 1004 . 1 1 113 113 PRO CA C 13 63.339 0.05 . . . . . . A 112 PRO CA . 30246 1 1005 . 1 1 113 113 PRO CB C 13 32.272 0.10 . . . . . . A 112 PRO CB . 30246 1 1006 . 1 1 114 114 LYS H H 1 8.034 0.01 . . . . . . A 113 LYS H . 30246 1 1007 . 1 1 114 114 LYS HA H 1 4.047 0.01 . . . . . . A 113 LYS HA . 30246 1 1008 . 1 1 114 114 LYS HB2 H 1 1.798 0.02 . . . . . . A 113 LYS HB2 . 30246 1 1009 . 1 1 114 114 LYS HB3 H 1 1.798 0.02 . . . . . . A 113 LYS HB3 . 30246 1 1010 . 1 1 114 114 LYS HG2 H 1 1.591 0.01 . . . . . . A 113 LYS HG2 . 30246 1 1011 . 1 1 114 114 LYS HG3 H 1 1.591 0.01 . . . . . . A 113 LYS HG3 . 30246 1 1012 . 1 1 114 114 LYS C C 13 176.047 0.00 . . . . . . A 113 LYS C . 30246 1 1013 . 1 1 114 114 LYS CA C 13 56.717 0.04 . . . . . . A 113 LYS CA . 30246 1 1014 . 1 1 114 114 LYS CB C 13 32.218 0.11 . . . . . . A 113 LYS CB . 30246 1 1015 . 1 1 114 114 LYS N N 15 121.663 0.07 . . . . . . A 113 LYS N . 30246 1 1016 . 1 1 115 115 TYR H H 1 8.262 0.01 . . . . . . A 114 TYR H . 30246 1 1017 . 1 1 115 115 TYR HA H 1 4.671 0.01 . . . . . . A 114 TYR HA . 30246 1 1018 . 1 1 115 115 TYR HB2 H 1 2.926 0.02 . . . . . . A 114 TYR HB2 . 30246 1 1019 . 1 1 115 115 TYR HB3 H 1 2.926 0.02 . . . . . . A 114 TYR HB3 . 30246 1 1020 . 1 1 115 115 TYR HD1 H 1 6.891 0.01 . . . . . . A 114 TYR HD1 . 30246 1 1021 . 1 1 115 115 TYR HD2 H 1 6.891 0.01 . . . . . . A 114 TYR HD2 . 30246 1 1022 . 1 1 115 115 TYR HE1 H 1 6.552 0.00 . . . . . . A 114 TYR HE1 . 30246 1 1023 . 1 1 115 115 TYR HE2 H 1 6.552 0.00 . . . . . . A 114 TYR HE2 . 30246 1 1024 . 1 1 115 115 TYR C C 13 175.201 0.00 . . . . . . A 114 TYR C . 30246 1 1025 . 1 1 115 115 TYR CA C 13 58.167 0.08 . . . . . . A 114 TYR CA . 30246 1 1026 . 1 1 115 115 TYR CB C 13 39.770 0.07 . . . . . . A 114 TYR CB . 30246 1 1027 . 1 1 115 115 TYR CD1 C 13 132.718 0.06 . . . . . . A 114 TYR CD1 . 30246 1 1028 . 1 1 115 115 TYR CE1 C 13 117.599 0.06 . . . . . . A 114 TYR CE1 . 30246 1 1029 . 1 1 115 115 TYR N N 15 126.455 0.06 . . . . . . A 114 TYR N . 30246 1 1030 . 1 1 116 116 LEU H H 1 7.408 0.01 . . . . . . A 115 LEU H . 30246 1 1031 . 1 1 116 116 LEU HA H 1 4.791 0.01 . . . . . . A 115 LEU HA . 30246 1 1032 . 1 1 116 116 LEU HB2 H 1 1.678 0.01 . . . . . . A 115 LEU HB2 . 30246 1 1033 . 1 1 116 116 LEU HB3 H 1 1.678 0.01 . . . . . . A 115 LEU HB3 . 30246 1 1034 . 1 1 116 116 LEU HG H 1 1.821 0.00 . . . . . . A 115 LEU HG . 30246 1 1035 . 1 1 116 116 LEU HD11 H 1 0.962 0.01 . . . . . . A 115 LEU HD11 . 30246 1 1036 . 1 1 116 116 LEU HD12 H 1 0.962 0.01 . . . . . . A 115 LEU HD12 . 30246 1 1037 . 1 1 116 116 LEU HD13 H 1 0.962 0.01 . . . . . . A 115 LEU HD13 . 30246 1 1038 . 1 1 116 116 LEU HD21 H 1 0.864 0.01 . . . . . . A 115 LEU HD21 . 30246 1 1039 . 1 1 116 116 LEU HD22 H 1 0.864 0.01 . . . . . . A 115 LEU HD22 . 30246 1 1040 . 1 1 116 116 LEU HD23 H 1 0.864 0.01 . . . . . . A 115 LEU HD23 . 30246 1 1041 . 1 1 116 116 LEU CA C 13 52.365 0.09 . . . . . . A 115 LEU CA . 30246 1 1042 . 1 1 116 116 LEU CB C 13 39.933 0.00 . . . . . . A 115 LEU CB . 30246 1 1043 . 1 1 116 116 LEU CG C 13 27.223 0.02 . . . . . . A 115 LEU CG . 30246 1 1044 . 1 1 116 116 LEU CD1 C 13 26.640 0.03 . . . . . . A 115 LEU CD1 . 30246 1 1045 . 1 1 116 116 LEU CD2 C 13 23.497 0.04 . . . . . . A 115 LEU CD2 . 30246 1 1046 . 1 1 116 116 LEU N N 15 131.587 0.05 . . . . . . A 115 LEU N . 30246 1 1047 . 1 1 118 118 TYR HA H 1 4.419 0.02 . . . . . . A 117 TYR HA . 30246 1 1048 . 1 1 118 118 TYR HB2 H 1 3.271 0.02 . . . . . . A 117 TYR HB2 . 30246 1 1049 . 1 1 118 118 TYR HB3 H 1 2.974 0.00 . . . . . . A 117 TYR HB3 . 30246 1 1050 . 1 1 118 118 TYR HD1 H 1 7.034 0.00 . . . . . . A 117 TYR HD1 . 30246 1 1051 . 1 1 118 118 TYR HD2 H 1 7.034 0.00 . . . . . . A 117 TYR HD2 . 30246 1 1052 . 1 1 118 118 TYR HE1 H 1 6.844 0.00 . . . . . . A 117 TYR HE1 . 30246 1 1053 . 1 1 118 118 TYR HE2 H 1 6.844 0.00 . . . . . . A 117 TYR HE2 . 30246 1 1054 . 1 1 118 118 TYR C C 13 177.114 0.00 . . . . . . A 117 TYR C . 30246 1 1055 . 1 1 118 118 TYR CA C 13 59.909 0.03 . . . . . . A 117 TYR CA . 30246 1 1056 . 1 1 118 118 TYR CB C 13 35.643 0.03 . . . . . . A 117 TYR CB . 30246 1 1057 . 1 1 118 118 TYR CD1 C 13 133.146 0.02 . . . . . . A 117 TYR CD1 . 30246 1 1058 . 1 1 118 118 TYR CE1 C 13 118.158 0.00 . . . . . . A 117 TYR CE1 . 30246 1 1059 . 1 1 119 119 MET H H 1 7.002 0.01 . . . . . . A 118 MET H . 30246 1 1060 . 1 1 119 119 MET HA H 1 3.382 0.01 . . . . . . A 118 MET HA . 30246 1 1061 . 1 1 119 119 MET HB2 H 1 1.312 0.01 . . . . . . A 118 MET HB2 . 30246 1 1062 . 1 1 119 119 MET HB3 H 1 1.312 0.01 . . . . . . A 118 MET HB3 . 30246 1 1063 . 1 1 119 119 MET C C 13 177.392 0.00 . . . . . . A 118 MET C . 30246 1 1064 . 1 1 119 119 MET CA C 13 57.456 0.15 . . . . . . A 118 MET CA . 30246 1 1065 . 1 1 119 119 MET CB C 13 32.377 0.09 . . . . . . A 118 MET CB . 30246 1 1066 . 1 1 119 119 MET N N 15 121.261 0.07 . . . . . . A 118 MET N . 30246 1 1067 . 1 1 120 120 GLU H H 1 6.625 0.01 . . . . . . A 119 GLU H . 30246 1 1068 . 1 1 120 120 GLU HA H 1 4.337 0.01 . . . . . . A 119 GLU HA . 30246 1 1069 . 1 1 120 120 GLU HB2 H 1 2.011 0.01 . . . . . . A 119 GLU HB2 . 30246 1 1070 . 1 1 120 120 GLU HB3 H 1 2.011 0.01 . . . . . . A 119 GLU HB3 . 30246 1 1071 . 1 1 120 120 GLU HG2 H 1 2.296 0.00 . . . . . . A 119 GLU HG2 . 30246 1 1072 . 1 1 120 120 GLU HG3 H 1 2.296 0.00 . . . . . . A 119 GLU HG3 . 30246 1 1073 . 1 1 120 120 GLU C C 13 178.146 0.00 . . . . . . A 119 GLU C . 30246 1 1074 . 1 1 120 120 GLU CA C 13 58.785 0.07 . . . . . . A 119 GLU CA . 30246 1 1075 . 1 1 120 120 GLU CB C 13 28.470 0.02 . . . . . . A 119 GLU CB . 30246 1 1076 . 1 1 120 120 GLU CG C 13 36.303 0.00 . . . . . . A 119 GLU CG . 30246 1 1077 . 1 1 120 120 GLU N N 15 120.508 0.06 . . . . . . A 119 GLU N . 30246 1 1078 . 1 1 121 121 GLU H H 1 7.622 0.01 . . . . . . A 120 GLU H . 30246 1 1079 . 1 1 121 121 GLU HA H 1 3.966 0.02 . . . . . . A 120 GLU HA . 30246 1 1080 . 1 1 121 121 GLU HB2 H 1 2.149 0.00 . . . . . . A 120 GLU HB2 . 30246 1 1081 . 1 1 121 121 GLU HB3 H 1 2.149 0.00 . . . . . . A 120 GLU HB3 . 30246 1 1082 . 1 1 121 121 GLU HG2 H 1 2.320 0.00 . . . . . . A 120 GLU HG2 . 30246 1 1083 . 1 1 121 121 GLU HG3 H 1 2.320 0.00 . . . . . . A 120 GLU HG3 . 30246 1 1084 . 1 1 121 121 GLU C C 13 179.322 0.00 . . . . . . A 120 GLU C . 30246 1 1085 . 1 1 121 121 GLU CA C 13 59.446 0.08 . . . . . . A 120 GLU CA . 30246 1 1086 . 1 1 121 121 GLU CB C 13 29.366 0.08 . . . . . . A 120 GLU CB . 30246 1 1087 . 1 1 121 121 GLU CG C 13 36.234 0.00 . . . . . . A 120 GLU CG . 30246 1 1088 . 1 1 121 121 GLU N N 15 117.052 0.13 . . . . . . A 120 GLU N . 30246 1 1089 . 1 1 122 122 ILE H H 1 7.315 0.01 . . . . . . A 121 ILE H . 30246 1 1090 . 1 1 122 122 ILE HA H 1 4.234 0.01 . . . . . . A 121 ILE HA . 30246 1 1091 . 1 1 122 122 ILE HB H 1 2.386 0.01 . . . . . . A 121 ILE HB . 30246 1 1092 . 1 1 122 122 ILE HG12 H 1 1.946 0.00 . . . . . . A 121 ILE HG12 . 30246 1 1093 . 1 1 122 122 ILE HG13 H 1 1.689 0.00 . . . . . . A 121 ILE HG13 . 30246 1 1094 . 1 1 122 122 ILE HG21 H 1 1.132 0.01 . . . . . . A 121 ILE HG21 . 30246 1 1095 . 1 1 122 122 ILE HG22 H 1 1.132 0.01 . . . . . . A 121 ILE HG22 . 30246 1 1096 . 1 1 122 122 ILE HG23 H 1 1.132 0.01 . . . . . . A 121 ILE HG23 . 30246 1 1097 . 1 1 122 122 ILE HD11 H 1 1.136 0.01 . . . . . . A 121 ILE HD11 . 30246 1 1098 . 1 1 122 122 ILE HD12 H 1 1.136 0.01 . . . . . . A 121 ILE HD12 . 30246 1 1099 . 1 1 122 122 ILE HD13 H 1 1.136 0.01 . . . . . . A 121 ILE HD13 . 30246 1 1100 . 1 1 122 122 ILE C C 13 178.489 0.00 . . . . . . A 121 ILE C . 30246 1 1101 . 1 1 122 122 ILE CA C 13 62.902 0.08 . . . . . . A 121 ILE CA . 30246 1 1102 . 1 1 122 122 ILE CB C 13 37.256 0.10 . . . . . . A 121 ILE CB . 30246 1 1103 . 1 1 122 122 ILE CG2 C 13 17.574 0.03 . . . . . . A 121 ILE CG2 . 30246 1 1104 . 1 1 122 122 ILE CD1 C 13 11.558 0.02 . . . . . . A 121 ILE CD1 . 30246 1 1105 . 1 1 122 122 ILE N N 15 118.923 0.08 . . . . . . A 121 ILE N . 30246 1 1106 . 1 1 123 123 ASN H H 1 8.613 0.01 . . . . . . A 122 ASN H . 30246 1 1107 . 1 1 123 123 ASN HA H 1 4.629 0.03 . . . . . . A 122 ASN HA . 30246 1 1108 . 1 1 123 123 ASN HB2 H 1 3.018 0.02 . . . . . . A 122 ASN HB2 . 30246 1 1109 . 1 1 123 123 ASN HB3 H 1 3.018 0.02 . . . . . . A 122 ASN HB3 . 30246 1 1110 . 1 1 123 123 ASN C C 13 177.641 0.00 . . . . . . A 122 ASN C . 30246 1 1111 . 1 1 123 123 ASN CA C 13 55.058 0.05 . . . . . . A 122 ASN CA . 30246 1 1112 . 1 1 123 123 ASN CB C 13 38.603 0.07 . . . . . . A 122 ASN CB . 30246 1 1113 . 1 1 123 123 ASN N N 15 121.017 0.03 . . . . . . A 122 ASN N . 30246 1 1114 . 1 1 124 124 ARG H H 1 7.927 0.01 . . . . . . A 123 ARG H . 30246 1 1115 . 1 1 124 124 ARG HA H 1 4.252 0.02 . . . . . . A 123 ARG HA . 30246 1 1116 . 1 1 124 124 ARG HB2 H 1 1.934 0.02 . . . . . . A 123 ARG HB2 . 30246 1 1117 . 1 1 124 124 ARG HB3 H 1 1.934 0.02 . . . . . . A 123 ARG HB3 . 30246 1 1118 . 1 1 124 124 ARG C C 13 177.322 0.00 . . . . . . A 123 ARG C . 30246 1 1119 . 1 1 124 124 ARG CA C 13 56.822 0.03 . . . . . . A 123 ARG CA . 30246 1 1120 . 1 1 124 124 ARG CB C 13 31.019 0.12 . . . . . . A 123 ARG CB . 30246 1 1121 . 1 1 124 124 ARG N N 15 117.094 0.02 . . . . . . A 123 ARG N . 30246 1 1122 . 1 1 125 125 MET H H 1 7.336 0.01 . . . . . . A 124 MET H . 30246 1 1123 . 1 1 125 125 MET HA H 1 4.288 0.01 . . . . . . A 124 MET HA . 30246 1 1124 . 1 1 125 125 MET HB2 H 1 2.102 0.01 . . . . . . A 124 MET HB2 . 30246 1 1125 . 1 1 125 125 MET HB3 H 1 2.102 0.01 . . . . . . A 124 MET HB3 . 30246 1 1126 . 1 1 125 125 MET HG2 H 1 3.124 0.01 . . . . . . A 124 MET HG2 . 30246 1 1127 . 1 1 125 125 MET HG3 H 1 3.124 0.01 . . . . . . A 124 MET HG3 . 30246 1 1128 . 1 1 125 125 MET HE1 H 1 2.112 0.00 . . . . . . A 124 MET HE1 . 30246 1 1129 . 1 1 125 125 MET HE2 H 1 2.112 0.00 . . . . . . A 124 MET HE2 . 30246 1 1130 . 1 1 125 125 MET HE3 H 1 2.112 0.00 . . . . . . A 124 MET HE3 . 30246 1 1131 . 1 1 125 125 MET C C 13 177.412 0.00 . . . . . . A 124 MET C . 30246 1 1132 . 1 1 125 125 MET CA C 13 56.510 0.04 . . . . . . A 124 MET CA . 30246 1 1133 . 1 1 125 125 MET CB C 13 33.231 0.10 . . . . . . A 124 MET CB . 30246 1 1134 . 1 1 125 125 MET CG C 13 32.404 0.05 . . . . . . A 124 MET CG . 30246 1 1135 . 1 1 125 125 MET CE C 13 17.663 0.00 . . . . . . A 124 MET CE . 30246 1 1136 . 1 1 125 125 MET N N 15 119.538 0.02 . . . . . . A 124 MET N . 30246 1 1137 . 1 1 126 126 ARG H H 1 9.141 0.01 . . . . . . A 125 ARG H . 30246 1 1138 . 1 1 126 126 ARG HA H 1 4.549 0.02 . . . . . . A 125 ARG HA . 30246 1 1139 . 1 1 126 126 ARG HB2 H 1 2.133 0.02 . . . . . . A 125 ARG HB2 . 30246 1 1140 . 1 1 126 126 ARG HB3 H 1 1.772 0.00 . . . . . . A 125 ARG HB3 . 30246 1 1141 . 1 1 126 126 ARG HG2 H 1 1.742 0.00 . . . . . . A 125 ARG HG2 . 30246 1 1142 . 1 1 126 126 ARG HG3 H 1 1.742 0.00 . . . . . . A 125 ARG HG3 . 30246 1 1143 . 1 1 126 126 ARG CA C 13 55.145 0.03 . . . . . . A 125 ARG CA . 30246 1 1144 . 1 1 126 126 ARG CB C 13 28.805 0.03 . . . . . . A 125 ARG CB . 30246 1 1145 . 1 1 126 126 ARG CG C 13 25.370 0.07 . . . . . . A 125 ARG CG . 30246 1 1146 . 1 1 126 126 ARG N N 15 124.113 0.04 . . . . . . A 125 ARG N . 30246 1 1147 . 1 1 127 127 PRO C C 13 176.832 0.00 . . . . . . A 126 PRO C . 30246 1 1148 . 1 1 127 127 PRO CA C 13 66.057 0.01 . . . . . . A 126 PRO CA . 30246 1 1149 . 1 1 127 127 PRO CB C 13 32.741 0.00 . . . . . . A 126 PRO CB . 30246 1 1150 . 1 1 128 128 ALA H H 1 8.158 0.01 . . . . . . A 127 ALA H . 30246 1 1151 . 1 1 128 128 ALA HA H 1 3.848 0.00 . . . . . . A 127 ALA HA . 30246 1 1152 . 1 1 128 128 ALA HB1 H 1 1.353 0.01 . . . . . . A 127 ALA HB1 . 30246 1 1153 . 1 1 128 128 ALA HB2 H 1 1.353 0.01 . . . . . . A 127 ALA HB2 . 30246 1 1154 . 1 1 128 128 ALA HB3 H 1 1.353 0.01 . . . . . . A 127 ALA HB3 . 30246 1 1155 . 1 1 128 128 ALA C C 13 178.584 0.00 . . . . . . A 127 ALA C . 30246 1 1156 . 1 1 128 128 ALA CA C 13 54.775 0.05 . . . . . . A 127 ALA CA . 30246 1 1157 . 1 1 128 128 ALA CB C 13 20.729 0.09 . . . . . . A 127 ALA CB . 30246 1 1158 . 1 1 128 128 ALA N N 15 112.987 0.02 . . . . . . A 127 ALA N . 30246 1 1159 . 1 1 129 129 ASP H H 1 8.245 0.01 . . . . . . A 128 ASP H . 30246 1 1160 . 1 1 129 129 ASP HA H 1 4.733 0.01 . . . . . . A 128 ASP HA . 30246 1 1161 . 1 1 129 129 ASP HB2 H 1 2.986 0.00 . . . . . . A 128 ASP HB2 . 30246 1 1162 . 1 1 129 129 ASP HB3 H 1 2.986 0.00 . . . . . . A 128 ASP HB3 . 30246 1 1163 . 1 1 129 129 ASP C C 13 176.334 0.00 . . . . . . A 128 ASP C . 30246 1 1164 . 1 1 129 129 ASP CA C 13 53.919 0.09 . . . . . . A 128 ASP CA . 30246 1 1165 . 1 1 129 129 ASP CB C 13 42.259 0.07 . . . . . . A 128 ASP CB . 30246 1 1166 . 1 1 129 129 ASP N N 15 115.830 0.03 . . . . . . A 128 ASP N . 30246 1 1167 . 1 1 130 130 VAL H H 1 7.256 0.01 . . . . . . A 129 VAL H . 30246 1 1168 . 1 1 130 130 VAL HA H 1 4.198 0.02 . . . . . . A 129 VAL HA . 30246 1 1169 . 1 1 130 130 VAL HB H 1 1.944 0.01 . . . . . . A 129 VAL HB . 30246 1 1170 . 1 1 130 130 VAL HG11 H 1 1.121 0.01 . . . . . . A 129 VAL HG11 . 30246 1 1171 . 1 1 130 130 VAL HG12 H 1 1.121 0.01 . . . . . . A 129 VAL HG12 . 30246 1 1172 . 1 1 130 130 VAL HG13 H 1 1.121 0.01 . . . . . . A 129 VAL HG13 . 30246 1 1173 . 1 1 130 130 VAL HG21 H 1 0.817 0.01 . . . . . . A 129 VAL HG21 . 30246 1 1174 . 1 1 130 130 VAL HG22 H 1 0.817 0.01 . . . . . . A 129 VAL HG22 . 30246 1 1175 . 1 1 130 130 VAL HG23 H 1 0.817 0.01 . . . . . . A 129 VAL HG23 . 30246 1 1176 . 1 1 130 130 VAL CA C 13 61.760 0.06 . . . . . . A 129 VAL CA . 30246 1 1177 . 1 1 130 130 VAL CB C 13 32.564 0.02 . . . . . . A 129 VAL CB . 30246 1 1178 . 1 1 130 130 VAL CG1 C 13 23.774 0.07 . . . . . . A 129 VAL CG1 . 30246 1 1179 . 1 1 130 130 VAL CG2 C 13 20.853 0.01 . . . . . . A 129 VAL CG2 . 30246 1 1180 . 1 1 130 130 VAL N N 15 124.069 0.07 . . . . . . A 129 VAL N . 30246 1 1181 . 1 1 131 131 PRO HA H 1 4.513 0.01 . . . . . . A 130 PRO HA . 30246 1 1182 . 1 1 131 131 PRO HB2 H 1 2.224 0.00 . . . . . . A 130 PRO HB2 . 30246 1 1183 . 1 1 131 131 PRO HB3 H 1 1.810 0.02 . . . . . . A 130 PRO HB3 . 30246 1 1184 . 1 1 131 131 PRO HD2 H 1 3.056 0.00 . . . . . . A 130 PRO HD2 . 30246 1 1185 . 1 1 131 131 PRO HD3 H 1 3.056 0.00 . . . . . . A 130 PRO HD3 . 30246 1 1186 . 1 1 131 131 PRO C C 13 176.796 0.00 . . . . . . A 130 PRO C . 30246 1 1187 . 1 1 131 131 PRO CA C 13 63.169 0.05 . . . . . . A 130 PRO CA . 30246 1 1188 . 1 1 131 131 PRO CB C 13 32.445 0.14 . . . . . . A 130 PRO CB . 30246 1 1189 . 1 1 132 132 VAL H H 1 8.071 0.01 . . . . . . A 131 VAL H . 30246 1 1190 . 1 1 132 132 VAL HA H 1 4.398 0.02 . . . . . . A 131 VAL HA . 30246 1 1191 . 1 1 132 132 VAL HB H 1 0.466 0.03 . . . . . . A 131 VAL HB . 30246 1 1192 . 1 1 132 132 VAL HG11 H 1 -0.158 0.02 . . . . . . A 131 VAL HG11 . 30246 1 1193 . 1 1 132 132 VAL HG12 H 1 -0.158 0.02 . . . . . . A 131 VAL HG12 . 30246 1 1194 . 1 1 132 132 VAL HG13 H 1 -0.158 0.02 . . . . . . A 131 VAL HG13 . 30246 1 1195 . 1 1 132 132 VAL HG21 H 1 -0.252 0.01 . . . . . . A 131 VAL HG21 . 30246 1 1196 . 1 1 132 132 VAL HG22 H 1 -0.252 0.01 . . . . . . A 131 VAL HG22 . 30246 1 1197 . 1 1 132 132 VAL HG23 H 1 -0.252 0.01 . . . . . . A 131 VAL HG23 . 30246 1 1198 . 1 1 132 132 VAL CA C 13 58.917 0.08 . . . . . . A 131 VAL CA . 30246 1 1199 . 1 1 132 132 VAL CB C 13 34.861 0.05 . . . . . . A 131 VAL CB . 30246 1 1200 . 1 1 132 132 VAL CG1 C 13 22.103 0.02 . . . . . . A 131 VAL CG1 . 30246 1 1201 . 1 1 132 132 VAL CG2 C 13 16.368 0.07 . . . . . . A 131 VAL CG2 . 30246 1 1202 . 1 1 132 132 VAL N N 15 114.143 0.07 . . . . . . A 131 VAL N . 30246 1 1203 . 1 1 133 133 LYS H H 1 8.023 0.01 . . . . . . A 132 LYS H . 30246 1 1204 . 1 1 133 133 LYS C C 13 175.683 0.00 . . . . . . A 132 LYS C . 30246 1 1205 . 1 1 133 133 LYS CA C 13 54.715 0.03 . . . . . . A 132 LYS CA . 30246 1 1206 . 1 1 133 133 LYS CB C 13 35.004 0.04 . . . . . . A 132 LYS CB . 30246 1 1207 . 1 1 133 133 LYS N N 15 120.964 0.03 . . . . . . A 132 LYS N . 30246 1 1208 . 1 1 134 134 TYR H H 1 8.927 0.01 . . . . . . A 133 TYR H . 30246 1 1209 . 1 1 134 134 TYR HA H 1 4.659 0.00 . . . . . . A 133 TYR HA . 30246 1 1210 . 1 1 134 134 TYR HB2 H 1 3.165 0.01 . . . . . . A 133 TYR HB2 . 30246 1 1211 . 1 1 134 134 TYR HB3 H 1 3.030 0.03 . . . . . . A 133 TYR HB3 . 30246 1 1212 . 1 1 134 134 TYR HD1 H 1 7.417 0.01 . . . . . . A 133 TYR HD1 . 30246 1 1213 . 1 1 134 134 TYR HD2 H 1 7.417 0.01 . . . . . . A 133 TYR HD2 . 30246 1 1214 . 1 1 134 134 TYR HE1 H 1 7.171 0.01 . . . . . . A 133 TYR HE1 . 30246 1 1215 . 1 1 134 134 TYR HE2 H 1 7.171 0.01 . . . . . . A 133 TYR HE2 . 30246 1 1216 . 1 1 134 134 TYR C C 13 174.740 0.00 . . . . . . A 133 TYR C . 30246 1 1217 . 1 1 134 134 TYR CA C 13 59.338 0.10 . . . . . . A 133 TYR CA . 30246 1 1218 . 1 1 134 134 TYR CB C 13 39.179 0.09 . . . . . . A 133 TYR CB . 30246 1 1219 . 1 1 134 134 TYR CD1 C 13 134.148 0.05 . . . . . . A 133 TYR CD1 . 30246 1 1220 . 1 1 134 134 TYR CE1 C 13 118.347 0.07 . . . . . . A 133 TYR CE1 . 30246 1 1221 . 1 1 134 134 TYR N N 15 122.735 0.05 . . . . . . A 133 TYR N . 30246 1 1222 . 1 1 135 135 MET H H 1 7.880 0.01 . . . . . . A 134 MET H . 30246 1 1223 . 1 1 135 135 MET HA H 1 4.334 0.01 . . . . . . A 134 MET HA . 30246 1 1224 . 1 1 135 135 MET HB2 H 1 2.098 0.03 . . . . . . A 134 MET HB2 . 30246 1 1225 . 1 1 135 135 MET HB3 H 1 2.098 0.03 . . . . . . A 134 MET HB3 . 30246 1 1226 . 1 1 135 135 MET HG2 H 1 2.530 0.02 . . . . . . A 134 MET HG2 . 30246 1 1227 . 1 1 135 135 MET HG3 H 1 2.530 0.02 . . . . . . A 134 MET HG3 . 30246 1 1228 . 1 1 135 135 MET HE1 H 1 2.129 0.01 . . . . . . A 134 MET HE1 . 30246 1 1229 . 1 1 135 135 MET HE2 H 1 2.129 0.01 . . . . . . A 134 MET HE2 . 30246 1 1230 . 1 1 135 135 MET HE3 H 1 2.129 0.01 . . . . . . A 134 MET HE3 . 30246 1 1231 . 1 1 135 135 MET CA C 13 56.805 0.07 . . . . . . A 134 MET CA . 30246 1 1232 . 1 1 135 135 MET CB C 13 34.226 0.06 . . . . . . A 134 MET CB . 30246 1 1233 . 1 1 135 135 MET CG C 13 32.013 0.04 . . . . . . A 134 MET CG . 30246 1 1234 . 1 1 135 135 MET CE C 13 17.220 0.25 . . . . . . A 134 MET CE . 30246 1 1235 . 1 1 135 135 MET N N 15 123.560 0.06 . . . . . . A 134 MET N . 30246 1 stop_ save_