data_16304 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16304 _Entry.Title ; SLAS-bound beta-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-14 _Entry.Accession_date 2009-05-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Jampani Nageswara' Rao . . . 16304 2 Yujin Kim . E. . 16304 3 Leena Park . S. . 16304 4 Tobias Ulmer . S. . 16304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 16304 '15N chemical shifts' 122 16304 '1H chemical shifts' 122 16304 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 . . 2009-06-24 2009-05-14 update BMRB 'complete entry citation' 16304 1 . . 2009-06-03 2009-05-14 original author 'original release' 16304 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16300 'free aS' 16304 BMRB 16301 'free SaS' 16304 BMRB 16302 aS-SLAS 16304 BMRB 16303 SaS-SLAS 16304 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16304 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19481090 _Citation.Full_citation . _Citation.Title 'Effect of Pseudorepeat Rearrangement on alpha-Synuclein Misfolding, Vesicle Binding, and Micelle Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 390 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 516 _Citation.Page_last 529 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jampani Nageswara' Rao . . . 16304 1 2 Yujin Kim . E. . 16304 1 3 Leena Park . S. . 16304 1 4 Tobias Ulmer . S. . 16304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16304 _Assembly.ID 1 _Assembly.Name monomer _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 monomer 1 $beta-synuclein A . yes 'SLAS micelle-bound' no no . . . 16304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-synuclein _Entity.Sf_category entity _Entity.Sf_framecode beta-synuclein _Entity.Entry_ID 16304 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-synuclein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVFMKGLSMAKEGVVAAAE KTKQGVTEAAEKTKEGVLYV GSKTREGVVQGVASVAEKTK EQASHLGGAVFSGAGNIAAA TGLVKREEFPTDLKPEEVAQ EAAEEPLIEPLMEPEGESYE DPPQEEYQEYEPEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15298 . beta-synuclein . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 2 no DBJ BAA04610 . "phosphoneuroprotein 14 [Rattus sp.]" . . . . . 100.00 137 97.76 99.25 3.40e-83 . . . . 16304 1 3 no DBJ BAG73791 . "synuclein, beta [synthetic construct]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 4 no EMBL CAG33308 . "SNCB [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 5 no GB AAB28945 . "phosphoneuroprotein 14, PNP 14 [cattle, brain, Peptide, 134 aa]" . . . . . 100.00 134 97.01 99.25 1.71e-82 . . . . 16304 1 6 no GB AAB30860 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 7 no GB AAC80286 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 8 no GB AAH02902 . "Synuclein, beta [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 9 no GB AAH19409 . "Synuclein, beta [Mus musculus]" . . . . . 100.00 133 97.01 97.76 7.47e-81 . . . . 16304 1 10 no PIR I56498 . "phosphoneuroprotein 14 - rat" . . . . . 100.00 137 97.76 99.25 3.40e-83 . . . . 16304 1 11 no REF NP_001001502 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 12 no REF NP_001068828 . "beta-synuclein [Bos taurus]" . . . . . 100.00 134 97.76 99.25 4.14e-83 . . . . 16304 1 13 no REF NP_001106164 . "beta-synuclein [Sus scrofa]" . . . . . 100.00 133 97.01 98.51 4.37e-81 . . . . 16304 1 14 no REF NP_001248469 . "beta-synuclein [Macaca mulatta]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 15 no REF NP_003076 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 16 no SP P33567 . "RecName: Full=Beta-synuclein; AltName: Full=14 kDa brain-specific protein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" . . . . . 100.00 134 97.01 99.25 1.71e-82 . . . . 16304 1 17 no SP Q16143 . "RecName: Full=Beta-synuclein" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 16304 1 18 no SP Q63754 . "RecName: Full=Beta-synuclein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" . . . . . 100.00 137 97.76 99.25 3.40e-83 . . . . 16304 1 19 no SP Q91ZZ3 . "RecName: Full=Beta-synuclein" . . . . . 100.00 133 97.01 97.76 7.47e-81 . . . . 16304 1 20 no TPG DAA27687 . "TPA: synuclein, beta [Bos taurus]" . . . . . 100.00 134 97.01 99.25 2.74e-82 . . . . 16304 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 . MET . 16304 1 2 . ASP . 16304 1 3 . VAL . 16304 1 4 . PHE . 16304 1 5 . MET . 16304 1 6 . LYS . 16304 1 7 . GLY . 16304 1 8 . LEU . 16304 1 9 . SER . 16304 1 10 . MET . 16304 1 11 . ALA . 16304 1 12 . LYS . 16304 1 13 . GLU . 16304 1 14 . GLY . 16304 1 15 . VAL . 16304 1 16 . VAL . 16304 1 17 . ALA . 16304 1 18 . ALA . 16304 1 19 . ALA . 16304 1 20 . GLU . 16304 1 21 . LYS . 16304 1 22 . THR . 16304 1 23 . LYS . 16304 1 24 . GLN . 16304 1 25 . GLY . 16304 1 26 . VAL . 16304 1 27 . THR . 16304 1 28 . GLU . 16304 1 29 . ALA . 16304 1 30 . ALA . 16304 1 31 . GLU . 16304 1 32 . LYS . 16304 1 33 . THR . 16304 1 34 . LYS . 16304 1 35 . GLU . 16304 1 36 . GLY . 16304 1 37 . VAL . 16304 1 38 . LEU . 16304 1 39 . TYR . 16304 1 40 . VAL . 16304 1 41 . GLY . 16304 1 42 . SER . 16304 1 43 . LYS . 16304 1 44 . THR . 16304 1 45 . ARG . 16304 1 46 . GLU . 16304 1 47 . GLY . 16304 1 48 . VAL . 16304 1 49 . VAL . 16304 1 50 . GLN . 16304 1 51 . GLY . 16304 1 52 . VAL . 16304 1 53 . ALA . 16304 1 54 . SER . 16304 1 55 . VAL . 16304 1 56 . ALA . 16304 1 57 . GLU . 16304 1 58 . LYS . 16304 1 59 . THR . 16304 1 60 . LYS . 16304 1 61 . GLU . 16304 1 62 . GLN . 16304 1 63 . ALA . 16304 1 64 . SER . 16304 1 65 . HIS . 16304 1 66 . LEU . 16304 1 67 . GLY . 16304 1 68 . GLY . 16304 1 69 . ALA . 16304 1 70 . VAL . 16304 1 71 . PHE . 16304 1 72 . SER . 16304 1 73 . GLY . 16304 1 74 . ALA . 16304 1 75 . GLY . 16304 1 76 . ASN . 16304 1 77 . ILE . 16304 1 78 . ALA . 16304 1 79 . ALA . 16304 1 80 . ALA . 16304 1 81 . THR . 16304 1 82 . GLY . 16304 1 83 . LEU . 16304 1 84 . VAL . 16304 1 85 . LYS . 16304 1 86 . ARG . 16304 1 87 . GLU . 16304 1 88 . GLU . 16304 1 89 . PHE . 16304 1 90 . PRO . 16304 1 91 . THR . 16304 1 92 . ASP . 16304 1 93 . LEU . 16304 1 94 . LYS . 16304 1 95 . PRO . 16304 1 96 . GLU . 16304 1 97 . GLU . 16304 1 98 . VAL . 16304 1 99 . ALA . 16304 1 100 . GLN . 16304 1 101 . GLU . 16304 1 102 . ALA . 16304 1 103 . ALA . 16304 1 104 . GLU . 16304 1 105 . GLU . 16304 1 106 . PRO . 16304 1 107 . LEU . 16304 1 108 . ILE . 16304 1 109 . GLU . 16304 1 110 . PRO . 16304 1 111 . LEU . 16304 1 112 . MET . 16304 1 113 . GLU . 16304 1 114 . PRO . 16304 1 115 . GLU . 16304 1 116 . GLY . 16304 1 117 . GLU . 16304 1 118 . SER . 16304 1 119 . TYR . 16304 1 120 . GLU . 16304 1 121 . ASP . 16304 1 122 . PRO . 16304 1 123 . PRO . 16304 1 124 . GLN . 16304 1 125 . GLU . 16304 1 126 . GLU . 16304 1 127 . TYR . 16304 1 128 . GLN . 16304 1 129 . GLU . 16304 1 130 . TYR . 16304 1 131 . GLU . 16304 1 132 . PRO . 16304 1 133 . GLU . 16304 1 134 . ALA . 16304 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16304 1 . ASP 2 2 16304 1 . VAL 3 3 16304 1 . PHE 4 4 16304 1 . MET 5 5 16304 1 . LYS 6 6 16304 1 . GLY 7 7 16304 1 . LEU 8 8 16304 1 . SER 9 9 16304 1 . MET 10 10 16304 1 . ALA 11 11 16304 1 . LYS 12 12 16304 1 . GLU 13 13 16304 1 . GLY 14 14 16304 1 . VAL 15 15 16304 1 . VAL 16 16 16304 1 . ALA 17 17 16304 1 . ALA 18 18 16304 1 . ALA 19 19 16304 1 . GLU 20 20 16304 1 . LYS 21 21 16304 1 . THR 22 22 16304 1 . LYS 23 23 16304 1 . GLN 24 24 16304 1 . GLY 25 25 16304 1 . VAL 26 26 16304 1 . THR 27 27 16304 1 . GLU 28 28 16304 1 . ALA 29 29 16304 1 . ALA 30 30 16304 1 . GLU 31 31 16304 1 . LYS 32 32 16304 1 . THR 33 33 16304 1 . LYS 34 34 16304 1 . GLU 35 35 16304 1 . GLY 36 36 16304 1 . VAL 37 37 16304 1 . LEU 38 38 16304 1 . TYR 39 39 16304 1 . VAL 40 40 16304 1 . GLY 41 41 16304 1 . SER 42 42 16304 1 . LYS 43 43 16304 1 . THR 44 44 16304 1 . ARG 45 45 16304 1 . GLU 46 46 16304 1 . GLY 47 47 16304 1 . VAL 48 48 16304 1 . VAL 49 49 16304 1 . GLN 50 50 16304 1 . GLY 51 51 16304 1 . VAL 52 52 16304 1 . ALA 53 53 16304 1 . SER 54 54 16304 1 . VAL 55 55 16304 1 . ALA 56 56 16304 1 . GLU 57 57 16304 1 . LYS 58 58 16304 1 . THR 59 59 16304 1 . LYS 60 60 16304 1 . GLU 61 61 16304 1 . GLN 62 62 16304 1 . ALA 63 63 16304 1 . SER 64 64 16304 1 . HIS 65 65 16304 1 . LEU 66 66 16304 1 . GLY 67 67 16304 1 . GLY 68 68 16304 1 . ALA 69 69 16304 1 . VAL 70 70 16304 1 . PHE 71 71 16304 1 . SER 72 72 16304 1 . GLY 73 73 16304 1 . ALA 74 74 16304 1 . GLY 75 75 16304 1 . ASN 76 76 16304 1 . ILE 77 77 16304 1 . ALA 78 78 16304 1 . ALA 79 79 16304 1 . ALA 80 80 16304 1 . THR 81 81 16304 1 . GLY 82 82 16304 1 . LEU 83 83 16304 1 . VAL 84 84 16304 1 . LYS 85 85 16304 1 . ARG 86 86 16304 1 . GLU 87 87 16304 1 . GLU 88 88 16304 1 . PHE 89 89 16304 1 . PRO 90 90 16304 1 . THR 91 91 16304 1 . ASP 92 92 16304 1 . LEU 93 93 16304 1 . LYS 94 94 16304 1 . PRO 95 95 16304 1 . GLU 96 96 16304 1 . GLU 97 97 16304 1 . VAL 98 98 16304 1 . ALA 99 99 16304 1 . GLN 100 100 16304 1 . GLU 101 101 16304 1 . ALA 102 102 16304 1 . ALA 103 103 16304 1 . GLU 104 104 16304 1 . GLU 105 105 16304 1 . PRO 106 106 16304 1 . LEU 107 107 16304 1 . ILE 108 108 16304 1 . GLU 109 109 16304 1 . PRO 110 110 16304 1 . LEU 111 111 16304 1 . MET 112 112 16304 1 . GLU 113 113 16304 1 . PRO 114 114 16304 1 . GLU 115 115 16304 1 . GLY 116 116 16304 1 . GLU 117 117 16304 1 . SER 118 118 16304 1 . TYR 119 119 16304 1 . GLU 120 120 16304 1 . ASP 121 121 16304 1 . PRO 122 122 16304 1 . PRO 123 123 16304 1 . GLN 124 124 16304 1 . GLU 125 125 16304 1 . GLU 126 126 16304 1 . TYR 127 127 16304 1 . GLN 128 128 16304 1 . GLU 129 129 16304 1 . TYR 130 130 16304 1 . GLU 131 131 16304 1 . PRO 132 132 16304 1 . GLU 133 133 16304 1 . ALA 134 134 16304 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 16304 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $beta-synuclein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16304 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 16304 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $beta-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-42 . . . . . . 16304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16304 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-synuclein '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $beta-synuclein . . 0.75 . . mM . . . . 16304 1 2 'sodium lauroyl sarcosinate' 'natural abundance' . . . . . . 75 . . mM . . . . 16304 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16304 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16304 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16304 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 16304 1 pH 7.4 . pH 16304 1 pressure 1 . atm 16304 1 temperature 298.2 . K 16304 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16304 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16304 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16304 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16304 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 16304 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 16304 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16304 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16304 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16304 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16304 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16304 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.771 internal indirect 0.25144954 . . . . . . . . . 16304 1 H 1 water protons . . . . ppm 4.771 internal direct 1 . . . . . . . . . 16304 1 N 15 water protons . . . . ppm 4.771 internal indirect 0.10132900 . . . . . . . . . 16304 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 16304 1 2 '3D HNCA' . . . 16304 1 3 '3D HNCACB' . . . 16304 1 4 '3D HN(CO)CA' . . . 16304 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 8.435 0.020 . 1 . . . . 3 VAL H . 16304 1 2 . 1 1 3 3 VAL C C 13 176.681 0.3 . 1 . . . . 3 VAL C . 16304 1 3 . 1 1 3 3 VAL CA C 13 64.393 0.3 . 1 . . . . 3 VAL CA . 16304 1 4 . 1 1 3 3 VAL CB C 13 30.928 0.3 . 1 . . . . 3 VAL CB . 16304 1 5 . 1 1 3 3 VAL N N 15 119.844 0.3 . 1 . . . . 3 VAL N . 16304 1 6 . 1 1 4 4 PHE H H 1 8.080 0.020 . 1 . . . . 4 PHE H . 16304 1 7 . 1 1 4 4 PHE C C 13 176.797 0.3 . 1 . . . . 4 PHE C . 16304 1 8 . 1 1 4 4 PHE CA C 13 59.931 0.3 . 1 . . . . 4 PHE CA . 16304 1 9 . 1 1 4 4 PHE CB C 13 38.008 0.3 . 1 . . . . 4 PHE CB . 16304 1 10 . 1 1 4 4 PHE N N 15 120.842 0.3 . 1 . . . . 4 PHE N . 16304 1 11 . 1 1 5 5 MET H H 1 8.217 0.020 . 1 . . . . 5 MET H . 16304 1 12 . 1 1 5 5 MET C C 13 178.933 0.3 . 1 . . . . 5 MET C . 16304 1 13 . 1 1 5 5 MET CA C 13 56.832 0.3 . 1 . . . . 5 MET CA . 16304 1 14 . 1 1 5 5 MET CB C 13 30.449 0.3 . 1 . . . . 5 MET CB . 16304 1 15 . 1 1 5 5 MET N N 15 118.324 0.3 . 1 . . . . 5 MET N . 16304 1 16 . 1 1 6 6 LYS H H 1 8.262 0.020 . 1 . . . . 6 LYS H . 16304 1 17 . 1 1 6 6 LYS C C 13 179.035 0.3 . 1 . . . . 6 LYS C . 16304 1 18 . 1 1 6 6 LYS CA C 13 58.301 0.3 . 1 . . . . 6 LYS CA . 16304 1 19 . 1 1 6 6 LYS CB C 13 30.928 0.3 . 1 . . . . 6 LYS CB . 16304 1 20 . 1 1 6 6 LYS N N 15 121.405 0.3 . 1 . . . . 6 LYS N . 16304 1 21 . 1 1 7 7 GLY H H 1 8.390 0.020 . 1 . . . . 7 GLY H . 16304 1 22 . 1 1 7 7 GLY C C 13 174.824 0.3 . 1 . . . . 7 GLY C . 16304 1 23 . 1 1 7 7 GLY CA C 13 46.748 0.3 . 1 . . . . 7 GLY CA . 16304 1 24 . 1 1 7 7 GLY N N 15 108.359 0.3 . 1 . . . . 7 GLY N . 16304 1 25 . 1 1 8 8 LEU H H 1 8.312 0.020 . 1 . . . . 8 LEU H . 16304 1 26 . 1 1 8 8 LEU C C 13 178.479 0.3 . 1 . . . . 8 LEU C . 16304 1 27 . 1 1 8 8 LEU CA C 13 57.366 0.3 . 1 . . . . 8 LEU CA . 16304 1 28 . 1 1 8 8 LEU CB C 13 40.616 0.3 . 1 . . . . 8 LEU CB . 16304 1 29 . 1 1 8 8 LEU N N 15 121.925 0.3 . 1 . . . . 8 LEU N . 16304 1 30 . 1 1 9 9 SER H H 1 8.083 0.020 . 1 . . . . 9 SER H . 16304 1 31 . 1 1 9 9 SER C C 13 176.705 0.3 . 1 . . . . 9 SER C . 16304 1 32 . 1 1 9 9 SER CA C 13 61.347 0.3 . 1 . . . . 9 SER CA . 16304 1 33 . 1 1 9 9 SER CB C 13 62.493 0.3 . 1 . . . . 9 SER CB . 16304 1 34 . 1 1 9 9 SER N N 15 114.562 0.3 . 1 . . . . 9 SER N . 16304 1 35 . 1 1 10 10 MET H H 1 8.037 0.020 . 1 . . . . 10 MET H . 16304 1 36 . 1 1 10 10 MET C C 13 178.356 0.3 . 1 . . . . 10 MET C . 16304 1 37 . 1 1 10 10 MET CA C 13 57.847 0.3 . 1 . . . . 10 MET CA . 16304 1 38 . 1 1 10 10 MET CB C 13 32.259 0.3 . 1 . . . . 10 MET CB . 16304 1 39 . 1 1 10 10 MET N N 15 121.248 0.3 . 1 . . . . 10 MET N . 16304 1 40 . 1 1 11 11 ALA H H 1 8.303 0.020 . 1 . . . . 11 ALA H . 16304 1 41 . 1 1 11 11 ALA C C 13 178.504 0.3 . 1 . . . . 11 ALA C . 16304 1 42 . 1 1 11 11 ALA CA C 13 54.196 0.3 . 1 . . . . 11 ALA CA . 16304 1 43 . 1 1 11 11 ALA CB C 13 17.535 0.3 . 1 . . . . 11 ALA CB . 16304 1 44 . 1 1 11 11 ALA N N 15 123.020 0.3 . 1 . . . . 11 ALA N . 16304 1 45 . 1 1 12 12 LYS H H 1 8.295 0.020 . 1 . . . . 12 LYS H . 16304 1 46 . 1 1 12 12 LYS C C 13 177.970 0.3 . 1 . . . . 12 LYS C . 16304 1 47 . 1 1 12 12 LYS CA C 13 59.664 0.3 . 1 . . . . 12 LYS CA . 16304 1 48 . 1 1 12 12 LYS CB C 13 31.141 0.3 . 1 . . . . 12 LYS CB . 16304 1 49 . 1 1 12 12 LYS N N 15 118.444 0.3 . 1 . . . . 12 LYS N . 16304 1 50 . 1 1 13 13 GLU H H 1 8.111 0.020 . 1 . . . . 13 GLU H . 16304 1 51 . 1 1 13 13 GLU C C 13 179.674 0.3 . 1 . . . . 13 GLU C . 16304 1 52 . 1 1 13 13 GLU CA C 13 58.675 0.3 . 1 . . . . 13 GLU CA . 16304 1 53 . 1 1 13 13 GLU CB C 13 28.267 0.3 . 1 . . . . 13 GLU CB . 16304 1 54 . 1 1 13 13 GLU N N 15 117.443 0.3 . 1 . . . . 13 GLU N . 16304 1 55 . 1 1 14 14 GLY H H 1 8.267 0.020 . 1 . . . . 14 GLY H . 16304 1 56 . 1 1 14 14 GLY C C 13 175.616 0.3 . 1 . . . . 14 GLY C . 16304 1 57 . 1 1 14 14 GLY CA C 13 46.465 0.3 . 1 . . . . 14 GLY CA . 16304 1 58 . 1 1 14 14 GLY N N 15 108.199 0.3 . 1 . . . . 14 GLY N . 16304 1 59 . 1 1 15 15 VAL H H 1 8.284 0.020 . 1 . . . . 15 VAL H . 16304 1 60 . 1 1 15 15 VAL C C 13 177.296 0.3 . 1 . . . . 15 VAL C . 16304 1 61 . 1 1 15 15 VAL CA C 13 66.023 0.3 . 1 . . . . 15 VAL CA . 16304 1 62 . 1 1 15 15 VAL CB C 13 30.556 0.3 . 1 . . . . 15 VAL CB . 16304 1 63 . 1 1 15 15 VAL N N 15 122.726 0.3 . 1 . . . . 15 VAL N . 16304 1 64 . 1 1 16 16 VAL H H 1 8.088 0.020 . 1 . . . . 16 VAL H . 16304 1 65 . 1 1 16 16 VAL C C 13 178.324 0.3 . 1 . . . . 16 VAL C . 16304 1 66 . 1 1 16 16 VAL CA C 13 66.183 0.3 . 1 . . . . 16 VAL CA . 16304 1 67 . 1 1 16 16 VAL CB C 13 30.662 0.3 . 1 . . . . 16 VAL CB . 16304 1 68 . 1 1 16 16 VAL N N 15 120.445 0.3 . 1 . . . . 16 VAL N . 16304 1 69 . 1 1 17 17 ALA H H 1 7.976 0.020 . 1 . . . . 17 ALA H . 16304 1 70 . 1 1 17 17 ALA C C 13 180.478 0.3 . 1 . . . . 17 ALA C . 16304 1 71 . 1 1 17 17 ALA CA C 13 54.267 0.3 . 1 . . . . 17 ALA CA . 16304 1 72 . 1 1 17 17 ALA CB C 13 17.302 0.3 . 1 . . . . 17 ALA CB . 16304 1 73 . 1 1 17 17 ALA N N 15 121.792 0.3 . 1 . . . . 17 ALA N . 16304 1 74 . 1 1 18 18 ALA H H 1 8.066 0.020 . 1 . . . . 18 ALA H . 16304 1 75 . 1 1 18 18 ALA C C 13 179.875 0.3 . 1 . . . . 18 ALA C . 16304 1 76 . 1 1 18 18 ALA CA C 13 54.133 0.3 . 1 . . . . 18 ALA CA . 16304 1 77 . 1 1 18 18 ALA CB C 13 17.408 0.3 . 1 . . . . 18 ALA CB . 16304 1 78 . 1 1 18 18 ALA N N 15 121.445 0.3 . 1 . . . . 18 ALA N . 16304 1 79 . 1 1 19 19 ALA H H 1 8.463 0.020 . 1 . . . . 19 ALA H . 16304 1 80 . 1 1 19 19 ALA C C 13 179.468 0.3 . 1 . . . . 19 ALA C . 16304 1 81 . 1 1 19 19 ALA CA C 13 54.427 0.3 . 1 . . . . 19 ALA CA . 16304 1 82 . 1 1 19 19 ALA CB C 13 17.302 0.3 . 1 . . . . 19 ALA CB . 16304 1 83 . 1 1 19 19 ALA N N 15 122.606 0.3 . 1 . . . . 19 ALA N . 16304 1 84 . 1 1 20 20 GLU H H 1 8.211 0.020 . 1 . . . . 20 GLU H . 16304 1 85 . 1 1 20 20 GLU C C 13 178.834 0.3 . 1 . . . . 20 GLU C . 16304 1 86 . 1 1 20 20 GLU CA C 13 58.595 0.3 . 1 . . . . 20 GLU CA . 16304 1 87 . 1 1 20 20 GLU CB C 13 28.533 0.3 . 1 . . . . 20 GLU CB . 16304 1 88 . 1 1 20 20 GLU N N 15 118.964 0.3 . 1 . . . . 20 GLU N . 16304 1 89 . 1 1 21 21 LYS H H 1 7.932 0.020 . 1 . . . . 21 LYS H . 16304 1 90 . 1 1 21 21 LYS C C 13 178.805 0.3 . 1 . . . . 21 LYS C . 16304 1 91 . 1 1 21 21 LYS CA C 13 58.168 0.3 . 1 . . . . 21 LYS CA . 16304 1 92 . 1 1 21 21 LYS CB C 13 31.407 0.3 . 1 . . . . 21 LYS CB . 16304 1 93 . 1 1 21 21 LYS N N 15 119.444 0.3 . 1 . . . . 21 LYS N . 16304 1 94 . 1 1 22 22 THR H H 1 7.949 0.020 . 1 . . . . 22 THR H . 16304 1 95 . 1 1 22 22 THR C C 13 175.758 0.3 . 1 . . . . 22 THR C . 16304 1 96 . 1 1 22 22 THR CA C 13 64.634 0.3 . 1 . . . . 22 THR CA . 16304 1 97 . 1 1 22 22 THR CB C 13 68.242 0.3 . 1 . . . . 22 THR CB . 16304 1 98 . 1 1 22 22 THR N N 15 114.882 0.3 . 1 . . . . 22 THR N . 16304 1 99 . 1 1 23 23 LYS H H 1 8.055 0.020 . 1 . . . . 23 LYS H . 16304 1 100 . 1 1 23 23 LYS C C 13 177.899 0.3 . 1 . . . . 23 LYS C . 16304 1 101 . 1 1 23 23 LYS CA C 13 58.141 0.3 . 1 . . . . 23 LYS CA . 16304 1 102 . 1 1 23 23 LYS CB C 13 31.354 0.3 . 1 . . . . 23 LYS CB . 16304 1 103 . 1 1 23 23 LYS N N 15 122.166 0.3 . 1 . . . . 23 LYS N . 16304 1 104 . 1 1 24 24 GLN H H 1 8.077 0.020 . 1 . . . . 24 GLN H . 16304 1 105 . 1 1 24 24 GLN C C 13 177.298 0.3 . 1 . . . . 24 GLN C . 16304 1 106 . 1 1 24 24 GLN CA C 13 56.858 0.3 . 1 . . . . 24 GLN CA . 16304 1 107 . 1 1 24 24 GLN CB C 13 27.735 0.3 . 1 . . . . 24 GLN CB . 16304 1 108 . 1 1 24 24 GLN N N 15 119.364 0.3 . 1 . . . . 24 GLN N . 16304 1 109 . 1 1 25 25 GLY H H 1 8.194 0.020 . 1 . . . . 25 GLY H . 16304 1 110 . 1 1 25 25 GLY C C 13 175.096 0.3 . 1 . . . . 25 GLY C . 16304 1 111 . 1 1 25 25 GLY CA C 13 45.647 0.3 . 1 . . . . 25 GLY CA . 16304 1 112 . 1 1 25 25 GLY N N 15 108.825 0.3 . 1 . . . . 25 GLY N . 16304 1 113 . 1 1 26 26 VAL H H 1 8.139 0.020 . 1 . . . . 26 VAL H . 16304 1 114 . 1 1 26 26 VAL C C 13 176.953 0.3 . 1 . . . . 26 VAL C . 16304 1 115 . 1 1 26 26 VAL CA C 13 63.645 0.3 . 1 . . . . 26 VAL CA . 16304 1 116 . 1 1 26 26 VAL CB C 13 31.035 0.3 . 1 . . . . 26 VAL CB . 16304 1 117 . 1 1 26 26 VAL N N 15 120.565 0.3 . 1 . . . . 26 VAL N . 16304 1 118 . 1 1 27 27 THR H H 1 8.150 0.020 . 1 . . . . 27 THR H . 16304 1 119 . 1 1 27 27 THR CA C 13 63.663 0.3 . 1 . . . . 27 THR CA . 16304 1 120 . 1 1 27 27 THR CB C 13 68.681 0.3 . 1 . . . . 27 THR CB . 16304 1 121 . 1 1 27 27 THR N N 15 117.123 0.3 . 1 . . . . 27 THR N . 16304 1 122 . 1 1 28 28 GLU H H 1 8.329 0.020 . 1 . . . . 28 GLU H . 16304 1 123 . 1 1 28 28 GLU C C 13 177.384 0.3 . 1 . . . . 28 GLU C . 16304 1 124 . 1 1 28 28 GLU CA C 13 57.366 0.3 . 1 . . . . 28 GLU CA . 16304 1 125 . 1 1 28 28 GLU CB C 13 29.172 0.3 . 1 . . . . 28 GLU CB . 16304 1 126 . 1 1 28 28 GLU N N 15 122.646 0.3 . 1 . . . . 28 GLU N . 16304 1 127 . 1 1 29 29 ALA H H 1 8.138 0.020 . 1 . . . . 29 ALA H . 16304 1 128 . 1 1 29 29 ALA C C 13 178.666 0.3 . 1 . . . . 29 ALA C . 16304 1 129 . 1 1 29 29 ALA CA C 13 53.225 0.3 . 1 . . . . 29 ALA CA . 16304 1 130 . 1 1 29 29 ALA CB C 13 17.994 0.3 . 1 . . . . 29 ALA CB . 16304 1 131 . 1 1 29 29 ALA N N 15 123.781 0.3 . 1 . . . . 29 ALA N . 16304 1 132 . 1 1 30 30 ALA H H 1 8.301 0.020 . 1 . . . . 30 ALA H . 16304 1 133 . 1 1 30 30 ALA CA C 13 53.332 0.3 . 1 . . . . 30 ALA CA . 16304 1 134 . 1 1 30 30 ALA CB C 13 17.744 0.3 . 1 . . . . 30 ALA CB . 16304 1 135 . 1 1 30 30 ALA N N 15 122.871 0.3 . 1 . . . . 30 ALA N . 16304 1 136 . 1 1 31 31 GLU H H 1 8.200 0.020 . 1 . . . . 31 GLU H . 16304 1 137 . 1 1 31 31 GLU C C 13 177.769 0.3 . 1 . . . . 31 GLU C . 16304 1 138 . 1 1 31 31 GLU CA C 13 57.526 0.3 . 1 . . . . 31 GLU CA . 16304 1 139 . 1 1 31 31 GLU CB C 13 28.906 0.3 . 1 . . . . 31 GLU CB . 16304 1 140 . 1 1 31 31 GLU N N 15 119.524 0.3 . 1 . . . . 31 GLU N . 16304 1 141 . 1 1 32 32 LYS H H 1 8.172 0.020 . 1 . . . . 32 LYS H . 16304 1 142 . 1 1 32 32 LYS C C 13 177.876 0.3 . 1 . . . . 32 LYS C . 16304 1 143 . 1 1 32 32 LYS CA C 13 56.992 0.3 . 1 . . . . 32 LYS CA . 16304 1 144 . 1 1 32 32 LYS CB C 13 31.354 0.3 . 1 . . . . 32 LYS CB . 16304 1 145 . 1 1 32 32 LYS N N 15 120.860 0.3 . 1 . . . . 32 LYS N . 16304 1 146 . 1 1 33 33 THR H H 1 8.100 0.020 . 1 . . . . 33 THR H . 16304 1 147 . 1 1 33 33 THR C C 13 175.334 0.3 . 1 . . . . 33 THR C . 16304 1 148 . 1 1 33 33 THR CA C 13 63.538 0.3 . 1 . . . . 33 THR CA . 16304 1 149 . 1 1 33 33 THR CB C 13 68.242 0.3 . 1 . . . . 33 THR CB . 16304 1 150 . 1 1 33 33 THR N N 15 116.043 0.3 . 1 . . . . 33 THR N . 16304 1 151 . 1 1 34 34 LYS H H 1 8.183 0.020 . 1 . . . . 34 LYS H . 16304 1 152 . 1 1 34 34 LYS CA C 13 57.580 0.3 . 1 . . . . 34 LYS CA . 16304 1 153 . 1 1 34 34 LYS N N 15 123.126 0.3 . 1 . . . . 34 LYS N . 16304 1 154 . 1 1 35 35 GLU H H 1 8.221 0.020 . 1 . . . . 35 GLU H . 16304 1 155 . 1 1 35 35 GLU CA C 13 57.019 0.3 . 1 . . . . 35 GLU CA . 16304 1 156 . 1 1 35 35 GLU N N 15 120.118 0.3 . 1 . . . . 35 GLU N . 16304 1 157 . 1 1 36 36 GLY H H 1 8.284 0.020 . 1 . . . . 36 GLY H . 16304 1 158 . 1 1 36 36 GLY C C 13 174.422 0.3 . 1 . . . . 36 GLY C . 16304 1 159 . 1 1 36 36 GLY CA C 13 45.610 0.3 . 1 . . . . 36 GLY CA . 16304 1 160 . 1 1 36 36 GLY N N 15 109.519 0.3 . 1 . . . . 36 GLY N . 16304 1 161 . 1 1 37 37 VAL H H 1 8.111 0.020 . 1 . . . . 37 VAL H . 16304 1 162 . 1 1 37 37 VAL C C 13 176.456 0.3 . 1 . . . . 37 VAL C . 16304 1 163 . 1 1 37 37 VAL CA C 13 63.324 0.3 . 1 . . . . 37 VAL CA . 16304 1 164 . 1 1 37 37 VAL CB C 13 31.354 0.3 . 1 . . . . 37 VAL CB . 16304 1 165 . 1 1 37 37 VAL N N 15 120.125 0.3 . 1 . . . . 37 VAL N . 16304 1 166 . 1 1 38 38 LEU H H 1 8.184 0.020 . 1 . . . . 38 LEU H . 16304 1 167 . 1 1 38 38 LEU C C 13 177.149 0.3 . 1 . . . . 38 LEU C . 16304 1 168 . 1 1 38 38 LEU CA C 13 55.496 0.3 . 1 . . . . 38 LEU CA . 16304 1 169 . 1 1 38 38 LEU CB C 13 40.935 0.3 . 1 . . . . 38 LEU CB . 16304 1 170 . 1 1 38 38 LEU N N 15 122.892 0.3 . 1 . . . . 38 LEU N . 16304 1 171 . 1 1 39 39 TYR H H 1 8.116 0.020 . 1 . . . . 39 TYR H . 16304 1 172 . 1 1 39 39 TYR C C 13 176.196 0.3 . 1 . . . . 39 TYR C . 16304 1 173 . 1 1 39 39 TYR CA C 13 58.675 0.3 . 1 . . . . 39 TYR CA . 16304 1 174 . 1 1 39 39 TYR CB C 13 38.061 0.3 . 1 . . . . 39 TYR CB . 16304 1 175 . 1 1 39 39 TYR N N 15 121.165 0.3 . 1 . . . . 39 TYR N . 16304 1 176 . 1 1 40 40 VAL H H 1 8.133 0.020 . 1 . . . . 40 VAL H . 16304 1 177 . 1 1 40 40 VAL C C 13 176.894 0.3 . 1 . . . . 40 VAL C . 16304 1 178 . 1 1 40 40 VAL CA C 13 62.924 0.3 . 1 . . . . 40 VAL CA . 16304 1 179 . 1 1 40 40 VAL CB C 13 31.301 0.3 . 1 . . . . 40 VAL CB . 16304 1 180 . 1 1 40 40 VAL N N 15 120.885 0.3 . 1 . . . . 40 VAL N . 16304 1 181 . 1 1 41 41 GLY H H 1 8.278 0.020 . 1 . . . . 41 GLY H . 16304 1 182 . 1 1 41 41 GLY C C 13 174.410 0.3 . 1 . . . . 41 GLY C . 16304 1 183 . 1 1 41 41 GLY CA C 13 45.503 0.3 . 1 . . . . 41 GLY CA . 16304 1 184 . 1 1 41 41 GLY N N 15 111.198 0.3 . 1 . . . . 41 GLY N . 16304 1 185 . 1 1 42 42 SER H H 1 8.271 0.020 . 1 . . . . 42 SER H . 16304 1 186 . 1 1 42 42 SER C C 13 175.605 0.3 . 1 . . . . 42 SER C . 16304 1 187 . 1 1 42 42 SER CA C 13 59.584 0.3 . 1 . . . . 42 SER CA . 16304 1 188 . 1 1 42 42 SER CB C 13 63.238 0.3 . 1 . . . . 42 SER CB . 16304 1 189 . 1 1 42 42 SER N N 15 116.538 0.3 . 1 . . . . 42 SER N . 16304 1 190 . 1 1 44 44 THR H H 1 8.150 0.020 . 1 . . . . 44 THR H . 16304 1 191 . 1 1 44 44 THR C C 13 175.364 0.3 . 1 . . . . 44 THR C . 16304 1 192 . 1 1 44 44 THR CA C 13 63.084 0.3 . 1 . . . . 44 THR CA . 16304 1 193 . 1 1 44 44 THR CB C 13 69.093 0.3 . 1 . . . . 44 THR CB . 16304 1 194 . 1 1 44 44 THR N N 15 114.762 0.3 . 1 . . . . 44 THR N . 16304 1 195 . 1 1 45 45 ARG H H 1 8.464 0.020 . 1 . . . . 45 ARG H . 16304 1 196 . 1 1 45 45 ARG C C 13 177.384 0.3 . 1 . . . . 45 ARG C . 16304 1 197 . 1 1 45 45 ARG CA C 13 59.130 0.3 . 1 . . . . 45 ARG CA . 16304 1 198 . 1 1 45 45 ARG CB C 13 29.118 0.3 . 1 . . . . 45 ARG CB . 16304 1 199 . 1 1 45 45 ARG N N 15 122.280 0.3 . 1 . . . . 45 ARG N . 16304 1 200 . 1 1 46 46 GLU H H 1 8.390 0.020 . 1 . . . . 46 GLU H . 16304 1 201 . 1 1 46 46 GLU C C 13 178.677 0.3 . 1 . . . . 46 GLU C . 16304 1 202 . 1 1 46 46 GLU CA C 13 58.622 0.3 . 1 . . . . 46 GLU CA . 16304 1 203 . 1 1 46 46 GLU CB C 13 28.693 0.3 . 1 . . . . 46 GLU CB . 16304 1 204 . 1 1 46 46 GLU N N 15 118.284 0.3 . 1 . . . . 46 GLU N . 16304 1 205 . 1 1 47 47 GLY H H 1 8.172 0.020 . 1 . . . . 47 GLY H . 16304 1 206 . 1 1 47 47 GLY C C 13 176.575 0.3 . 1 . . . . 47 GLY C . 16304 1 207 . 1 1 47 47 GLY CA C 13 46.171 0.3 . 1 . . . . 47 GLY CA . 16304 1 208 . 1 1 47 47 GLY N N 15 108.199 0.3 . 1 . . . . 47 GLY N . 16304 1 209 . 1 1 48 48 VAL H H 1 8.183 0.020 . 1 . . . . 48 VAL H . 16304 1 210 . 1 1 48 48 VAL C C 13 177.213 0.3 . 1 . . . . 48 VAL C . 16304 1 211 . 1 1 48 48 VAL CA C 13 65.863 0.3 . 1 . . . . 48 VAL CA . 16304 1 212 . 1 1 48 48 VAL CB C 13 30.609 0.3 . 1 . . . . 48 VAL CB . 16304 1 213 . 1 1 48 48 VAL N N 15 122.766 0.3 . 1 . . . . 48 VAL N . 16304 1 214 . 1 1 49 49 VAL H H 1 8.217 0.020 . 1 . . . . 49 VAL H . 16304 1 215 . 1 1 49 49 VAL C C 13 178.089 0.3 . 1 . . . . 49 VAL C . 16304 1 216 . 1 1 49 49 VAL CA C 13 66.451 0.3 . 1 . . . . 49 VAL CA . 16304 1 217 . 1 1 49 49 VAL CB C 13 30.502 0.3 . 1 . . . . 49 VAL CB . 16304 1 218 . 1 1 49 49 VAL N N 15 119.965 0.3 . 1 . . . . 49 VAL N . 16304 1 219 . 1 1 50 50 GLN H H 1 8.183 0.020 . 1 . . . . 50 GLN H . 16304 1 220 . 1 1 50 50 GLN C C 13 178.964 0.3 . 1 . . . . 50 GLN C . 16304 1 221 . 1 1 50 50 GLN CA C 13 57.847 0.3 . 1 . . . . 50 GLN CA . 16304 1 222 . 1 1 50 50 GLN CB C 13 27.362 0.3 . 1 . . . . 50 GLN CB . 16304 1 223 . 1 1 50 50 GLN N N 15 118.484 0.3 . 1 . . . . 50 GLN N . 16304 1 224 . 1 1 51 51 GLY H H 1 8.234 0.020 . 1 . . . . 51 GLY H . 16304 1 225 . 1 1 51 51 GLY C C 13 175.616 0.3 . 1 . . . . 51 GLY C . 16304 1 226 . 1 1 51 51 GLY CA C 13 46.572 0.3 . 1 . . . . 51 GLY CA . 16304 1 227 . 1 1 51 51 GLY N N 15 109.439 0.3 . 1 . . . . 51 GLY N . 16304 1 228 . 1 1 52 52 VAL H H 1 8.483 0.020 . 1 . . . . 52 VAL H . 16304 1 229 . 1 1 52 52 VAL C C 13 177.272 0.3 . 1 . . . . 52 VAL C . 16304 1 230 . 1 1 52 52 VAL CA C 13 65.702 0.3 . 1 . . . . 52 VAL CA . 16304 1 231 . 1 1 52 52 VAL CB C 13 30.491 0.3 . 1 . . . . 52 VAL CB . 16304 1 232 . 1 1 52 52 VAL N N 15 121.800 0.3 . 1 . . . . 52 VAL N . 16304 1 233 . 1 1 53 53 ALA H H 1 8.183 0.020 . 1 . . . . 53 ALA H . 16304 1 234 . 1 1 53 53 ALA C C 13 180.159 0.3 . 1 . . . . 53 ALA C . 16304 1 235 . 1 1 53 53 ALA CA C 13 54.774 0.3 . 1 . . . . 53 ALA CA . 16304 1 236 . 1 1 53 53 ALA CB C 13 17.142 0.3 . 1 . . . . 53 ALA CB . 16304 1 237 . 1 1 53 53 ALA N N 15 122.166 0.3 . 1 . . . . 53 ALA N . 16304 1 238 . 1 1 54 54 SER H H 1 8.027 0.020 . 1 . . . . 54 SER H . 16304 1 239 . 1 1 54 54 SER C C 13 176.799 0.3 . 1 . . . . 54 SER C . 16304 1 240 . 1 1 54 54 SER CA C 13 60.706 0.3 . 1 . . . . 54 SER CA . 16304 1 241 . 1 1 54 54 SER CB C 13 62.812 0.3 . 1 . . . . 54 SER CB . 16304 1 242 . 1 1 54 54 SER N N 15 113.721 0.3 . 1 . . . . 54 SER N . 16304 1 243 . 1 1 55 55 VAL H H 1 7.882 0.020 . 1 . . . . 55 VAL H . 16304 1 244 . 1 1 55 55 VAL C C 13 178.313 0.3 . 1 . . . . 55 VAL C . 16304 1 245 . 1 1 55 55 VAL CA C 13 64.821 0.3 . 1 . . . . 55 VAL CA . 16304 1 246 . 1 1 55 55 VAL CB C 13 30.769 0.3 . 1 . . . . 55 VAL CB . 16304 1 247 . 1 1 55 55 VAL N N 15 121.285 0.3 . 1 . . . . 55 VAL N . 16304 1 248 . 1 1 56 56 ALA H H 1 8.653 0.020 . 1 . . . . 56 ALA H . 16304 1 249 . 1 1 56 56 ALA C C 13 178.952 0.3 . 1 . . . . 56 ALA C . 16304 1 250 . 1 1 56 56 ALA CA C 13 54.801 0.3 . 1 . . . . 56 ALA CA . 16304 1 251 . 1 1 56 56 ALA CB C 13 17.326 0.3 . 1 . . . . 56 ALA CB . 16304 1 252 . 1 1 56 56 ALA N N 15 125.687 0.3 . 1 . . . . 56 ALA N . 16304 1 253 . 1 1 57 57 GLU H H 1 8.156 0.020 . 1 . . . . 57 GLU H . 16304 1 254 . 1 1 57 57 GLU C C 13 178.998 0.3 . 1 . . . . 57 GLU C . 16304 1 255 . 1 1 57 57 GLU CA C 13 58.996 0.3 . 1 . . . . 57 GLU CA . 16304 1 256 . 1 1 57 57 GLU CB C 13 28.586 0.3 . 1 . . . . 57 GLU CB . 16304 1 257 . 1 1 57 57 GLU N N 15 118.485 0.3 . 1 . . . . 57 GLU N . 16304 1 258 . 1 1 58 58 LYS H H 1 8.038 0.020 . 1 . . . . 58 LYS H . 16304 1 259 . 1 1 58 58 LYS C C 13 178.773 0.3 . 1 . . . . 58 LYS C . 16304 1 260 . 1 1 58 58 LYS CA C 13 58.168 0.3 . 1 . . . . 58 LYS CA . 16304 1 261 . 1 1 58 58 LYS CB C 13 31.514 0.3 . 1 . . . . 58 LYS CB . 16304 1 262 . 1 1 58 58 LYS N N 15 119.284 0.3 . 1 . . . . 58 LYS N . 16304 1 263 . 1 1 59 59 THR H H 1 8.073 0.020 . 1 . . . . 59 THR H . 16304 1 264 . 1 1 59 59 THR CA C 13 65.435 0.3 . 1 . . . . 59 THR CA . 16304 1 265 . 1 1 59 59 THR CB C 13 67.922 0.3 . 1 . . . . 59 THR CB . 16304 1 266 . 1 1 59 59 THR N N 15 115.138 0.3 . 1 . . . . 59 THR N . 16304 1 267 . 1 1 60 60 LYS H H 1 7.988 0.020 . 1 . . . . 60 LYS H . 16304 1 268 . 1 1 60 60 LYS C C 13 178.550 0.3 . 1 . . . . 60 LYS C . 16304 1 269 . 1 1 60 60 LYS CA C 13 59.397 0.3 . 1 . . . . 60 LYS CA . 16304 1 270 . 1 1 60 60 LYS CB C 13 31.141 0.3 . 1 . . . . 60 LYS CB . 16304 1 271 . 1 1 60 60 LYS N N 15 121.805 0.3 . 1 . . . . 60 LYS N . 16304 1 272 . 1 1 61 61 GLU H H 1 8.005 0.020 . 1 . . . . 61 GLU H . 16304 1 273 . 1 1 61 61 GLU C C 13 178.773 0.3 . 1 . . . . 61 GLU C . 16304 1 274 . 1 1 61 61 GLU CA C 13 58.435 0.3 . 1 . . . . 61 GLU CA . 16304 1 275 . 1 1 61 61 GLU CB C 13 28.533 0.3 . 1 . . . . 61 GLU CB . 16304 1 276 . 1 1 61 61 GLU N N 15 119.324 0.3 . 1 . . . . 61 GLU N . 16304 1 277 . 1 1 62 62 GLN H H 1 8.088 0.020 . 1 . . . . 62 GLN H . 16304 1 278 . 1 1 62 62 GLN C C 13 177.757 0.3 . 1 . . . . 62 GLN C . 16304 1 279 . 1 1 62 62 GLN CA C 13 57.099 0.3 . 1 . . . . 62 GLN CA . 16304 1 280 . 1 1 62 62 GLN CB C 13 28.001 0.3 . 1 . . . . 62 GLN CB . 16304 1 281 . 1 1 62 62 GLN N N 15 118.724 0.3 . 1 . . . . 62 GLN N . 16304 1 282 . 1 1 63 63 ALA H H 1 8.379 0.020 . 1 . . . . 63 ALA H . 16304 1 283 . 1 1 63 63 ALA C C 13 178.668 0.3 . 1 . . . . 63 ALA C . 16304 1 284 . 1 1 63 63 ALA CA C 13 54.000 0.3 . 1 . . . . 63 ALA CA . 16304 1 285 . 1 1 63 63 ALA CB C 13 17.621 0.3 . 1 . . . . 63 ALA CB . 16304 1 286 . 1 1 63 63 ALA N N 15 122.046 0.3 . 1 . . . . 63 ALA N . 16304 1 287 . 1 1 64 64 SER H H 1 8.038 0.020 . 1 . . . . 64 SER H . 16304 1 288 . 1 1 64 64 SER C C 13 175.909 0.3 . 1 . . . . 64 SER C . 16304 1 289 . 1 1 64 64 SER CA C 13 60.305 0.3 . 1 . . . . 64 SER CA . 16304 1 290 . 1 1 64 64 SER CB C 13 62.706 0.3 . 1 . . . . 64 SER CB . 16304 1 291 . 1 1 64 64 SER N N 15 113.361 0.3 . 1 . . . . 64 SER N . 16304 1 292 . 1 1 66 66 LEU H H 1 8.077 0.020 . 1 . . . . 66 LEU H . 16304 1 293 . 1 1 66 66 LEU C C 13 177.899 0.3 . 1 . . . . 66 LEU C . 16304 1 294 . 1 1 66 66 LEU CA C 13 55.977 0.3 . 1 . . . . 66 LEU CA . 16304 1 295 . 1 1 66 66 LEU CB C 13 41.148 0.3 . 1 . . . . 66 LEU CB . 16304 1 296 . 1 1 66 66 LEU N N 15 120.965 0.3 . 1 . . . . 66 LEU N . 16304 1 297 . 1 1 67 67 GLY H H 1 8.379 0.020 . 1 . . . . 67 GLY H . 16304 1 298 . 1 1 67 67 GLY C C 13 174.930 0.3 . 1 . . . . 67 GLY C . 16304 1 299 . 1 1 67 67 GLY CA C 13 46.144 0.3 . 1 . . . . 67 GLY CA . 16304 1 300 . 1 1 67 67 GLY N N 15 107.318 0.3 . 1 . . . . 67 GLY N . 16304 1 301 . 1 1 68 68 GLY H H 1 8.267 0.020 . 1 . . . . 68 GLY H . 16304 1 302 . 1 1 68 68 GLY C C 13 175.214 0.3 . 1 . . . . 68 GLY C . 16304 1 303 . 1 1 68 68 GLY CA C 13 45.984 0.3 . 1 . . . . 68 GLY CA . 16304 1 304 . 1 1 68 68 GLY N N 15 108.599 0.3 . 1 . . . . 68 GLY N . 16304 1 305 . 1 1 69 69 ALA H H 1 8.072 0.020 . 1 . . . . 69 ALA H . 16304 1 306 . 1 1 69 69 ALA C C 13 179.286 0.3 . 1 . . . . 69 ALA C . 16304 1 307 . 1 1 69 69 ALA CA C 13 53.358 0.3 . 1 . . . . 69 ALA CA . 16304 1 308 . 1 1 69 69 ALA CB C 13 17.940 0.3 . 1 . . . . 69 ALA CB . 16304 1 309 . 1 1 69 69 ALA N N 15 124.287 0.3 . 1 . . . . 69 ALA N . 16304 1 310 . 1 1 70 70 VAL H H 1 8.032 0.020 . 1 . . . . 70 VAL H . 16304 1 311 . 1 1 70 70 VAL C C 13 176.421 0.3 . 1 . . . . 70 VAL C . 16304 1 312 . 1 1 70 70 VAL CA C 13 64.206 0.3 . 1 . . . . 70 VAL CA . 16304 1 313 . 1 1 70 70 VAL CB C 13 30.909 0.3 . 1 . . . . 70 VAL CB . 16304 1 314 . 1 1 70 70 VAL N N 15 118.124 0.3 . 1 . . . . 70 VAL N . 16304 1 315 . 1 1 71 71 PHE H H 1 8.139 0.020 . 1 . . . . 71 PHE H . 16304 1 316 . 1 1 71 71 PHE C C 13 176.999 0.3 . 1 . . . . 71 PHE C . 16304 1 317 . 1 1 71 71 PHE CA C 13 58.809 0.3 . 1 . . . . 71 PHE CA . 16304 1 318 . 1 1 71 71 PHE CB C 13 38.171 0.3 . 1 . . . . 71 PHE CB . 16304 1 319 . 1 1 71 71 PHE N N 15 119.364 0.3 . 1 . . . . 71 PHE N . 16304 1 320 . 1 1 72 72 SER H H 1 8.217 0.020 . 1 . . . . 72 SER H . 16304 1 321 . 1 1 72 72 SER C C 13 176.113 0.3 . 1 . . . . 72 SER C . 16304 1 322 . 1 1 72 72 SER CA C 13 59.744 0.3 . 1 . . . . 72 SER CA . 16304 1 323 . 1 1 72 72 SER CB C 13 62.866 0.3 . 1 . . . . 72 SER CB . 16304 1 324 . 1 1 72 72 SER N N 15 115.682 0.3 . 1 . . . . 72 SER N . 16304 1 325 . 1 1 73 73 GLY H H 1 8.234 0.020 . 1 . . . . 73 GLY H . 16304 1 326 . 1 1 73 73 GLY C C 13 174.840 0.3 . 1 . . . . 73 GLY C . 16304 1 327 . 1 1 73 73 GLY CA C 13 45.690 0.3 . 1 . . . . 73 GLY CA . 16304 1 328 . 1 1 73 73 GLY N N 15 110.920 0.3 . 1 . . . . 73 GLY N . 16304 1 329 . 1 1 74 74 ALA H H 1 8.295 0.020 . 1 . . . . 74 ALA H . 16304 1 330 . 1 1 74 74 ALA C C 13 178.624 0.3 . 1 . . . . 74 ALA C . 16304 1 331 . 1 1 74 74 ALA CA C 13 53.679 0.3 . 1 . . . . 74 ALA CA . 16304 1 332 . 1 1 74 74 ALA CB C 13 17.781 0.3 . 1 . . . . 74 ALA CB . 16304 1 333 . 1 1 74 74 ALA N N 15 124.007 0.3 . 1 . . . . 74 ALA N . 16304 1 334 . 1 1 75 75 GLY H H 1 8.368 0.020 . 1 . . . . 75 GLY H . 16304 1 335 . 1 1 75 75 GLY C C 13 175.268 0.3 . 1 . . . . 75 GLY C . 16304 1 336 . 1 1 75 75 GLY CA C 13 46.064 0.3 . 1 . . . . 75 GLY CA . 16304 1 337 . 1 1 75 75 GLY N N 15 106.478 0.3 . 1 . . . . 75 GLY N . 16304 1 338 . 1 1 76 76 ASN H H 1 8.161 0.020 . 1 . . . . 76 ASN H . 16304 1 339 . 1 1 76 76 ASN C C 13 177.213 0.3 . 1 . . . . 76 ASN C . 16304 1 340 . 1 1 76 76 ASN CA C 13 54.427 0.3 . 1 . . . . 76 ASN CA . 16304 1 341 . 1 1 76 76 ASN CB C 13 37.582 0.3 . 1 . . . . 76 ASN CB . 16304 1 342 . 1 1 76 76 ASN N N 15 120.085 0.3 . 1 . . . . 76 ASN N . 16304 1 343 . 1 1 77 77 ILE H H 1 8.139 0.020 . 1 . . . . 77 ILE H . 16304 1 344 . 1 1 77 77 ILE C C 13 177.592 0.3 . 1 . . . . 77 ILE C . 16304 1 345 . 1 1 77 77 ILE CA C 13 63.324 0.3 . 1 . . . . 77 ILE CA . 16304 1 346 . 1 1 77 77 ILE CB C 13 36.837 0.3 . 1 . . . . 77 ILE CB . 16304 1 347 . 1 1 77 77 ILE N N 15 121.685 0.3 . 1 . . . . 77 ILE N . 16304 1 348 . 1 1 78 78 ALA H H 1 8.435 0.020 . 1 . . . . 78 ALA H . 16304 1 349 . 1 1 78 78 ALA C C 13 179.244 0.3 . 1 . . . . 78 ALA C . 16304 1 350 . 1 1 78 78 ALA CA C 13 54.267 0.3 . 1 . . . . 78 ALA CA . 16304 1 351 . 1 1 78 78 ALA CB C 13 17.248 0.3 . 1 . . . . 78 ALA CB . 16304 1 352 . 1 1 78 78 ALA N N 15 124.367 0.3 . 1 . . . . 78 ALA N . 16304 1 353 . 1 1 79 79 ALA H H 1 8.027 0.020 . 1 . . . . 79 ALA H . 16304 1 354 . 1 1 79 79 ALA C C 13 179.650 0.3 . 1 . . . . 79 ALA C . 16304 1 355 . 1 1 79 79 ALA CA C 13 53.572 0.3 . 1 . . . . 79 ALA CA . 16304 1 356 . 1 1 79 79 ALA CB C 13 17.355 0.3 . 1 . . . . 79 ALA CB . 16304 1 357 . 1 1 79 79 ALA N N 15 120.591 0.3 . 1 . . . . 79 ALA N . 16304 1 358 . 1 1 80 80 ALA H H 1 8.010 0.020 . 1 . . . . 80 ALA H . 16304 1 359 . 1 1 80 80 ALA C C 13 178.763 0.3 . 1 . . . . 80 ALA C . 16304 1 360 . 1 1 80 80 ALA CA C 13 53.519 0.3 . 1 . . . . 80 ALA CA . 16304 1 361 . 1 1 80 80 ALA CB C 13 17.621 0.3 . 1 . . . . 80 ALA CB . 16304 1 362 . 1 1 80 80 ALA N N 15 121.285 0.3 . 1 . . . . 80 ALA N . 16304 1 363 . 1 1 81 81 THR H H 1 7.781 0.020 . 1 . . . . 81 THR H . 16304 1 364 . 1 1 81 81 THR C C 13 175.486 0.3 . 1 . . . . 81 THR C . 16304 1 365 . 1 1 81 81 THR CA C 13 62.683 0.3 . 1 . . . . 81 THR CA . 16304 1 366 . 1 1 81 81 THR N N 15 107.959 0.3 . 1 . . . . 81 THR N . 16304 1 367 . 1 1 82 82 GLY H H 1 7.848 0.020 . 1 . . . . 82 GLY H . 16304 1 368 . 1 1 82 82 GLY C C 13 174.576 0.3 . 1 . . . . 82 GLY C . 16304 1 369 . 1 1 82 82 GLY CA C 13 45.289 0.3 . 1 . . . . 82 GLY CA . 16304 1 370 . 1 1 82 82 GLY N N 15 108.839 0.3 . 1 . . . . 82 GLY N . 16304 1 371 . 1 1 83 83 LEU H H 1 7.859 0.020 . 1 . . . . 83 LEU H . 16304 1 372 . 1 1 83 83 LEU C C 13 176.799 0.3 . 1 . . . . 83 LEU C . 16304 1 373 . 1 1 83 83 LEU CA C 13 55.736 0.3 . 1 . . . . 83 LEU CA . 16304 1 374 . 1 1 83 83 LEU CB C 13 41.414 0.3 . 1 . . . . 83 LEU CB . 16304 1 375 . 1 1 83 83 LEU N N 15 120.725 0.3 . 1 . . . . 83 LEU N . 16304 1 376 . 1 1 84 84 VAL H H 1 7.457 0.020 . 1 . . . . 84 VAL H . 16304 1 377 . 1 1 84 84 VAL C C 13 175.285 0.3 . 1 . . . . 84 VAL C . 16304 1 378 . 1 1 84 84 VAL CA C 13 60.866 0.3 . 1 . . . . 84 VAL CA . 16304 1 379 . 1 1 84 84 VAL CB C 13 32.259 0.3 . 1 . . . . 84 VAL CB . 16304 1 380 . 1 1 84 84 VAL N N 15 116.043 0.3 . 1 . . . . 84 VAL N . 16304 1 381 . 1 1 85 85 LYS H H 1 8.362 0.020 . 1 . . . . 85 LYS H . 16304 1 382 . 1 1 85 85 LYS C C 13 176.198 0.3 . 1 . . . . 85 LYS C . 16304 1 383 . 1 1 85 85 LYS CA C 13 55.549 0.3 . 1 . . . . 85 LYS CA . 16304 1 384 . 1 1 85 85 LYS CB C 13 31.993 0.3 . 1 . . . . 85 LYS CB . 16304 1 385 . 1 1 85 85 LYS N N 15 125.487 0.3 . 1 . . . . 85 LYS N . 16304 1 386 . 1 1 86 86 ARG H H 1 8.452 0.020 . 1 . . . . 86 ARG H . 16304 1 387 . 1 1 86 86 ARG C C 13 176.112 0.3 . 1 . . . . 86 ARG C . 16304 1 388 . 1 1 86 86 ARG CA C 13 55.309 0.3 . 1 . . . . 86 ARG CA . 16304 1 389 . 1 1 86 86 ARG CB C 13 29.970 0.3 . 1 . . . . 86 ARG CB . 16304 1 390 . 1 1 86 86 ARG N N 15 124.087 0.3 . 1 . . . . 86 ARG N . 16304 1 391 . 1 1 87 87 GLU H H 1 8.466 0.020 . 1 . . . . 87 GLU H . 16304 1 392 . 1 1 87 87 GLU C C 13 175.853 0.3 . 1 . . . . 87 GLU C . 16304 1 393 . 1 1 87 87 GLU CA C 13 55.717 0.3 . 1 . . . . 87 GLU CA . 16304 1 394 . 1 1 87 87 GLU N N 15 123.362 0.3 . 1 . . . . 87 GLU N . 16304 1 395 . 1 1 88 88 GLU H H 1 8.345 0.020 . 1 . . . . 88 GLU H . 16304 1 396 . 1 1 88 88 GLU C C 13 175.699 0.3 . 1 . . . . 88 GLU C . 16304 1 397 . 1 1 88 88 GLU CA C 13 55.736 0.3 . 1 . . . . 88 GLU CA . 16304 1 398 . 1 1 88 88 GLU CB C 13 29.544 0.3 . 1 . . . . 88 GLU CB . 16304 1 399 . 1 1 88 88 GLU N N 15 123.326 0.3 . 1 . . . . 88 GLU N . 16304 1 400 . 1 1 89 89 PHE H H 1 8.373 0.020 . 1 . . . . 89 PHE H . 16304 1 401 . 1 1 89 89 PHE C C 13 173.872 0.3 . 1 . . . . 89 PHE C . 16304 1 402 . 1 1 89 89 PHE CA C 13 55.095 0.3 . 1 . . . . 89 PHE CA . 16304 1 403 . 1 1 89 89 PHE CB C 13 38.275 0.3 . 1 . . . . 89 PHE CB . 16304 1 404 . 1 1 89 89 PHE N N 15 122.809 0.3 . 1 . . . . 89 PHE N . 16304 1 405 . 1 1 91 91 THR H H 1 8.290 0.020 . 1 . . . . 91 THR H . 16304 1 406 . 1 1 91 91 THR C C 13 174.315 0.3 . 1 . . . . 91 THR C . 16304 1 407 . 1 1 91 91 THR CA C 13 61.508 0.3 . 1 . . . . 91 THR CA . 16304 1 408 . 1 1 91 91 THR CB C 13 69.306 0.3 . 1 . . . . 91 THR CB . 16304 1 409 . 1 1 91 91 THR N N 15 115.122 0.3 . 1 . . . . 91 THR N . 16304 1 410 . 1 1 92 92 ASP H H 1 8.341 0.020 . 1 . . . . 92 ASP H . 16304 1 411 . 1 1 92 92 ASP C C 13 175.723 0.3 . 1 . . . . 92 ASP C . 16304 1 412 . 1 1 92 92 ASP CA C 13 53.786 0.3 . 1 . . . . 92 ASP CA . 16304 1 413 . 1 1 92 92 ASP CB C 13 40.456 0.3 . 1 . . . . 92 ASP CB . 16304 1 414 . 1 1 92 92 ASP N N 15 123.174 0.3 . 1 . . . . 92 ASP N . 16304 1 415 . 1 1 93 93 LEU H H 1 8.105 0.020 . 1 . . . . 93 LEU H . 16304 1 416 . 1 1 93 93 LEU C C 13 177.031 0.3 . 1 . . . . 93 LEU C . 16304 1 417 . 1 1 93 93 LEU CA C 13 54.534 0.3 . 1 . . . . 93 LEU CA . 16304 1 418 . 1 1 93 93 LEU CB C 13 41.095 0.3 . 1 . . . . 93 LEU CB . 16304 1 419 . 1 1 93 93 LEU N N 15 123.246 0.3 . 1 . . . . 93 LEU N . 16304 1 420 . 1 1 94 94 LYS H H 1 8.418 0.020 . 1 . . . . 94 LYS H . 16304 1 421 . 1 1 94 94 LYS C C 13 174.541 0.3 . 1 . . . . 94 LYS C . 16304 1 422 . 1 1 94 94 LYS CA C 13 53.679 0.3 . 1 . . . . 94 LYS CA . 16304 1 423 . 1 1 94 94 LYS CB C 13 31.248 0.3 . 1 . . . . 94 LYS CB . 16304 1 424 . 1 1 94 94 LYS N N 15 124.967 0.3 . 1 . . . . 94 LYS N . 16304 1 425 . 1 1 96 96 GLU H H 1 8.597 0.020 . 1 . . . . 96 GLU H . 16304 1 426 . 1 1 96 96 GLU C C 13 176.622 0.3 . 1 . . . . 96 GLU C . 16304 1 427 . 1 1 96 96 GLU CA C 13 56.297 0.3 . 1 . . . . 96 GLU CA . 16304 1 428 . 1 1 96 96 GLU CB C 13 29.133 0.3 . 1 . . . . 96 GLU CB . 16304 1 429 . 1 1 96 96 GLU N N 15 121.365 0.3 . 1 . . . . 96 GLU N . 16304 1 430 . 1 1 97 97 GLU H H 1 8.379 0.020 . 1 . . . . 97 GLU H . 16304 1 431 . 1 1 97 97 GLU C C 13 176.302 0.3 . 1 . . . . 97 GLU C . 16304 1 432 . 1 1 97 97 GLU CA C 13 55.897 0.3 . 1 . . . . 97 GLU CA . 16304 1 433 . 1 1 97 97 GLU CB C 13 29.544 0.3 . 1 . . . . 97 GLU CB . 16304 1 434 . 1 1 97 97 GLU N N 15 123.086 0.3 . 1 . . . . 97 GLU N . 16304 1 435 . 1 1 98 98 VAL H H 1 8.144 0.020 . 1 . . . . 98 VAL H . 16304 1 436 . 1 1 98 98 VAL C C 13 175.824 0.3 . 1 . . . . 98 VAL C . 16304 1 437 . 1 1 98 98 VAL CA C 13 61.588 0.3 . 1 . . . . 98 VAL CA . 16304 1 438 . 1 1 98 98 VAL CB C 13 31.780 0.3 . 1 . . . . 98 VAL CB . 16304 1 439 . 1 1 98 98 VAL N N 15 122.646 0.3 . 1 . . . . 98 VAL N . 16304 1 440 . 1 1 99 99 ALA H H 1 8.401 0.020 . 1 . . . . 99 ALA H . 16304 1 441 . 1 1 99 99 ALA C C 13 177.587 0.3 . 1 . . . . 99 ALA C . 16304 1 442 . 1 1 99 99 ALA CA C 13 51.969 0.3 . 1 . . . . 99 ALA CA . 16304 1 443 . 1 1 99 99 ALA CB C 13 18.153 0.3 . 1 . . . . 99 ALA CB . 16304 1 444 . 1 1 99 99 ALA N N 15 128.929 0.3 . 1 . . . . 99 ALA N . 16304 1 445 . 1 1 100 100 GLN H H 1 8.385 0.020 . 1 . . . . 100 GLN H . 16304 1 446 . 1 1 100 100 GLN C C 13 176.007 0.3 . 1 . . . . 100 GLN C . 16304 1 447 . 1 1 100 100 GLN CA C 13 55.175 0.3 . 1 . . . . 100 GLN CA . 16304 1 448 . 1 1 100 100 GLN CB C 13 28.693 0.3 . 1 . . . . 100 GLN CB . 16304 1 449 . 1 1 100 100 GLN N N 15 121.125 0.3 . 1 . . . . 100 GLN N . 16304 1 450 . 1 1 101 101 GLU H H 1 8.473 0.020 . 1 . . . . 101 GLU H . 16304 1 451 . 1 1 101 101 GLU C C 13 176.101 0.3 . 1 . . . . 101 GLU C . 16304 1 452 . 1 1 101 101 GLU CA C 13 55.953 0.3 . 1 . . . . 101 GLU CA . 16304 1 453 . 1 1 101 101 GLU CB C 13 29.447 0.3 . 1 . . . . 101 GLU CB . 16304 1 454 . 1 1 101 101 GLU N N 15 123.436 0.3 . 1 . . . . 101 GLU N . 16304 1 455 . 1 1 102 102 ALA H H 1 8.379 0.020 . 1 . . . . 102 ALA H . 16304 1 456 . 1 1 102 102 ALA C C 13 177.202 0.3 . 1 . . . . 102 ALA C . 16304 1 457 . 1 1 102 102 ALA CA C 13 51.755 0.3 . 1 . . . . 102 ALA CA . 16304 1 458 . 1 1 102 102 ALA CB C 13 18.313 0.3 . 1 . . . . 102 ALA CB . 16304 1 459 . 1 1 102 102 ALA N N 15 126.288 0.3 . 1 . . . . 102 ALA N . 16304 1 460 . 1 1 103 103 ALA H H 1 8.284 0.020 . 1 . . . . 103 ALA H . 16304 1 461 . 1 1 103 103 ALA C C 13 177.576 0.3 . 1 . . . . 103 ALA C . 16304 1 462 . 1 1 103 103 ALA CA C 13 51.702 0.3 . 1 . . . . 103 ALA CA . 16304 1 463 . 1 1 103 103 ALA CB C 13 18.419 0.3 . 1 . . . . 103 ALA CB . 16304 1 464 . 1 1 103 103 ALA N N 15 124.687 0.3 . 1 . . . . 103 ALA N . 16304 1 465 . 1 1 104 104 GLU H H 1 8.345 0.020 . 1 . . . . 104 GLU H . 16304 1 466 . 1 1 104 104 GLU C C 13 176.267 0.3 . 1 . . . . 104 GLU C . 16304 1 467 . 1 1 104 104 GLU CA C 13 55.710 0.3 . 1 . . . . 104 GLU CA . 16304 1 468 . 1 1 104 104 GLU CB C 13 29.544 0.3 . 1 . . . . 104 GLU CB . 16304 1 469 . 1 1 104 104 GLU N N 15 121.325 0.3 . 1 . . . . 104 GLU N . 16304 1 470 . 1 1 105 105 GLU H H 1 8.441 0.020 . 1 . . . . 105 GLU H . 16304 1 471 . 1 1 105 105 GLU C C 13 174.434 0.3 . 1 . . . . 105 GLU C . 16304 1 472 . 1 1 105 105 GLU CA C 13 53.813 0.3 . 1 . . . . 105 GLU CA . 16304 1 473 . 1 1 105 105 GLU CB C 13 29.065 0.3 . 1 . . . . 105 GLU CB . 16304 1 474 . 1 1 105 105 GLU N N 15 124.647 0.3 . 1 . . . . 105 GLU N . 16304 1 475 . 1 1 107 107 LEU H H 1 8.318 0.020 . 1 . . . . 107 LEU H . 16304 1 476 . 1 1 107 107 LEU C C 13 177.085 0.3 . 1 . . . . 107 LEU C . 16304 1 477 . 1 1 107 107 LEU CA C 13 54.587 0.3 . 1 . . . . 107 LEU CA . 16304 1 478 . 1 1 107 107 LEU CB C 13 41.044 0.3 . 1 . . . . 107 LEU CB . 16304 1 479 . 1 1 107 107 LEU N N 15 123.646 0.3 . 1 . . . . 107 LEU N . 16304 1 480 . 1 1 108 108 ILE H H 1 8.195 0.020 . 1 . . . . 108 ILE H . 16304 1 481 . 1 1 108 108 ILE C C 13 175.909 0.3 . 1 . . . . 108 ILE C . 16304 1 482 . 1 1 108 108 ILE CA C 13 60.118 0.3 . 1 . . . . 108 ILE CA . 16304 1 483 . 1 1 108 108 ILE CB C 13 37.582 0.3 . 1 . . . . 108 ILE CB . 16304 1 484 . 1 1 108 108 ILE N N 15 124.167 0.3 . 1 . . . . 108 ILE N . 16304 1 485 . 1 1 109 109 GLU H H 1 8.424 0.020 . 1 . . . . 109 GLU H . 16304 1 486 . 1 1 109 109 GLU C C 13 174.252 0.3 . 1 . . . . 109 GLU C . 16304 1 487 . 1 1 109 109 GLU CA C 13 53.786 0.3 . 1 . . . . 109 GLU CA . 16304 1 488 . 1 1 109 109 GLU CB C 13 28.906 0.3 . 1 . . . . 109 GLU CB . 16304 1 489 . 1 1 109 109 GLU N N 15 127.728 0.3 . 1 . . . . 109 GLU N . 16304 1 490 . 1 1 111 111 LEU H H 1 8.290 0.020 . 1 . . . . 111 LEU H . 16304 1 491 . 1 1 111 111 LEU C C 13 177.284 0.3 . 1 . . . . 111 LEU C . 16304 1 492 . 1 1 111 111 LEU CA C 13 54.587 0.3 . 1 . . . . 111 LEU CA . 16304 1 493 . 1 1 111 111 LEU CB C 13 41.095 0.3 . 1 . . . . 111 LEU CB . 16304 1 494 . 1 1 111 111 LEU N N 15 123.126 0.3 . 1 . . . . 111 LEU N . 16304 1 495 . 1 1 112 112 MET H H 1 8.373 0.020 . 1 . . . . 112 MET H . 16304 1 496 . 1 1 112 112 MET C C 13 175.806 0.3 . 1 . . . . 112 MET C . 16304 1 497 . 1 1 112 112 MET CA C 13 54.561 0.3 . 1 . . . . 112 MET CA . 16304 1 498 . 1 1 112 112 MET CB C 13 32.153 0.3 . 1 . . . . 112 MET CB . 16304 1 499 . 1 1 112 112 MET N N 15 122.886 0.3 . 1 . . . . 112 MET N . 16304 1 500 . 1 1 113 113 GLU H H 1 8.413 0.020 . 1 . . . . 113 GLU H . 16304 1 501 . 1 1 113 113 GLU C C 13 174.498 0.3 . 1 . . . . 113 GLU C . 16304 1 502 . 1 1 113 113 GLU CA C 13 53.893 0.3 . 1 . . . . 113 GLU CA . 16304 1 503 . 1 1 113 113 GLU CB C 13 28.693 0.3 . 1 . . . . 113 GLU CB . 16304 1 504 . 1 1 113 113 GLU N N 15 124.607 0.3 . 1 . . . . 113 GLU N . 16304 1 505 . 1 1 115 115 GLU H H 1 8.536 0.020 . 1 . . . . 115 GLU H . 16304 1 506 . 1 1 115 115 GLU C C 13 177.060 0.3 . 1 . . . . 115 GLU C . 16304 1 507 . 1 1 115 115 GLU CA C 13 56.191 0.3 . 1 . . . . 115 GLU CA . 16304 1 508 . 1 1 115 115 GLU CB C 13 29.438 0.3 . 1 . . . . 115 GLU CB . 16304 1 509 . 1 1 115 115 GLU N N 15 122.126 0.3 . 1 . . . . 115 GLU N . 16304 1 510 . 1 1 116 116 GLY H H 1 8.373 0.020 . 1 . . . . 116 GLY H . 16304 1 511 . 1 1 116 116 GLY C C 13 173.846 0.3 . 1 . . . . 116 GLY C . 16304 1 512 . 1 1 116 116 GLY CA C 13 44.648 0.3 . 1 . . . . 116 GLY CA . 16304 1 513 . 1 1 116 116 GLY N N 15 110.600 0.3 . 1 . . . . 116 GLY N . 16304 1 514 . 1 1 117 117 GLU H H 1 8.278 0.020 . 1 . . . . 117 GLU H . 16304 1 515 . 1 1 117 117 GLU C C 13 176.302 0.3 . 1 . . . . 117 GLU C . 16304 1 516 . 1 1 117 117 GLU CA C 13 55.843 0.3 . 1 . . . . 117 GLU CA . 16304 1 517 . 1 1 117 117 GLU CB C 13 29.544 0.3 . 1 . . . . 117 GLU CB . 16304 1 518 . 1 1 117 117 GLU N N 15 121.245 0.3 . 1 . . . . 117 GLU N . 16304 1 519 . 1 1 118 118 SER H H 1 8.329 0.020 . 1 . . . . 118 SER H . 16304 1 520 . 1 1 118 118 SER C C 13 173.854 0.3 . 1 . . . . 118 SER C . 16304 1 521 . 1 1 118 118 SER CA C 13 57.526 0.3 . 1 . . . . 118 SER CA . 16304 1 522 . 1 1 118 118 SER CB C 13 63.504 0.3 . 1 . . . . 118 SER CB . 16304 1 523 . 1 1 118 118 SER N N 15 117.563 0.3 . 1 . . . . 118 SER N . 16304 1 524 . 1 1 119 119 TYR H H 1 8.287 0.020 . 1 . . . . 119 TYR H . 16304 1 525 . 1 1 119 119 TYR C C 13 175.333 0.3 . 1 . . . . 119 TYR C . 16304 1 526 . 1 1 119 119 TYR CA C 13 57.366 0.3 . 1 . . . . 119 TYR CA . 16304 1 527 . 1 1 119 119 TYR CB C 13 38.274 0.3 . 1 . . . . 119 TYR CB . 16304 1 528 . 1 1 119 119 TYR N N 15 123.478 0.3 . 1 . . . . 119 TYR N . 16304 1 529 . 1 1 120 120 GLU H H 1 8.111 0.020 . 1 . . . . 120 GLU H . 16304 1 530 . 1 1 120 120 GLU C C 13 175.407 0.3 . 1 . . . . 120 GLU C . 16304 1 531 . 1 1 120 120 GLU CA C 13 55.229 0.3 . 1 . . . . 120 GLU CA . 16304 1 532 . 1 1 120 120 GLU CB C 13 30.023 0.3 . 1 . . . . 120 GLU CB . 16304 1 533 . 1 1 120 120 GLU N N 15 123.606 0.3 . 1 . . . . 120 GLU N . 16304 1 534 . 1 1 121 121 ASP H H 1 8.373 0.020 . 1 . . . . 121 ASP H . 16304 1 535 . 1 1 121 121 ASP C C 13 173.739 0.3 . 1 . . . . 121 ASP C . 16304 1 536 . 1 1 121 121 ASP CA C 13 52.423 0.3 . 1 . . . . 121 ASP CA . 16304 1 537 . 1 1 121 121 ASP CB C 13 39.764 0.3 . 1 . . . . 121 ASP CB . 16304 1 538 . 1 1 121 121 ASP N N 15 123.966 0.3 . 1 . . . . 121 ASP N . 16304 1 539 . 1 1 124 124 GLN H H 1 8.480 0.020 . 1 . . . . 124 GLN H . 16304 1 540 . 1 1 124 124 GLN C C 13 176.007 0.3 . 1 . . . . 124 GLN C . 16304 1 541 . 1 1 124 124 GLN CA C 13 55.148 0.3 . 1 . . . . 124 GLN CA . 16304 1 542 . 1 1 124 124 GLN CB C 13 28.746 0.3 . 1 . . . . 124 GLN CB . 16304 1 543 . 1 1 124 124 GLN N N 15 121.645 0.3 . 1 . . . . 124 GLN N . 16304 1 544 . 1 1 125 125 GLU H H 1 8.474 0.020 . 1 . . . . 125 GLU H . 16304 1 545 . 1 1 125 125 GLU C C 13 176.101 0.3 . 1 . . . . 125 GLU C . 16304 1 546 . 1 1 125 125 GLU CA C 13 55.923 0.3 . 1 . . . . 125 GLU CA . 16304 1 547 . 1 1 125 125 GLU CB C 13 29.385 0.3 . 1 . . . . 125 GLU CB . 16304 1 548 . 1 1 125 125 GLU N N 15 123.406 0.3 . 1 . . . . 125 GLU N . 16304 1 549 . 1 1 126 126 GLU H H 1 8.435 0.020 . 1 . . . . 126 GLU H . 16304 1 550 . 1 1 126 126 GLU C C 13 175.912 0.3 . 1 . . . . 126 GLU C . 16304 1 551 . 1 1 126 126 GLU CA C 13 55.923 0.3 . 1 . . . . 126 GLU CA . 16304 1 552 . 1 1 126 126 GLU CB C 13 29.544 0.3 . 1 . . . . 126 GLU CB . 16304 1 553 . 1 1 126 126 GLU N N 15 122.886 0.3 . 1 . . . . 126 GLU N . 16304 1 554 . 1 1 127 127 TYR H H 1 8.318 0.020 . 1 . . . . 127 TYR H . 16304 1 555 . 1 1 127 127 TYR C C 13 175.285 0.3 . 1 . . . . 127 TYR C . 16304 1 556 . 1 1 127 127 TYR CA C 13 57.526 0.3 . 1 . . . . 127 TYR CA . 16304 1 557 . 1 1 127 127 TYR CB C 13 38.008 0.3 . 1 . . . . 127 TYR CB . 16304 1 558 . 1 1 127 127 TYR N N 15 122.966 0.3 . 1 . . . . 127 TYR N . 16304 1 559 . 1 1 128 128 GLN H H 1 8.111 0.020 . 1 . . . . 128 GLN H . 16304 1 560 . 1 1 128 128 GLN C C 13 174.840 0.3 . 1 . . . . 128 GLN C . 16304 1 561 . 1 1 128 128 GLN CA C 13 54.641 0.3 . 1 . . . . 128 GLN CA . 16304 1 562 . 1 1 128 128 GLN CB C 13 29.118 0.3 . 1 . . . . 128 GLN CB . 16304 1 563 . 1 1 128 128 GLN N N 15 124.167 0.3 . 1 . . . . 128 GLN N . 16304 1 564 . 1 1 129 129 GLU H H 1 8.301 0.020 . 1 . . . . 129 GLU H . 16304 1 565 . 1 1 129 129 GLU C C 13 175.806 0.3 . 1 . . . . 129 GLU C . 16304 1 566 . 1 1 129 129 GLU CA C 13 55.897 0.3 . 1 . . . . 129 GLU CA . 16304 1 567 . 1 1 129 129 GLU CB C 13 29.225 0.3 . 1 . . . . 129 GLU CB . 16304 1 568 . 1 1 129 129 GLU N N 15 123.406 0.3 . 1 . . . . 129 GLU N . 16304 1 569 . 1 1 130 130 TYR H H 1 8.211 0.020 . 1 . . . . 130 TYR H . 16304 1 570 . 1 1 130 130 TYR C C 13 175.022 0.3 . 1 . . . . 130 TYR C . 16304 1 571 . 1 1 130 130 TYR CA C 13 57.126 0.3 . 1 . . . . 130 TYR CA . 16304 1 572 . 1 1 130 130 TYR CB C 13 38.487 0.3 . 1 . . . . 130 TYR CB . 16304 1 573 . 1 1 130 130 TYR N N 15 122.406 0.3 . 1 . . . . 130 TYR N . 16304 1 574 . 1 1 131 131 GLU H H 1 8.267 0.020 . 1 . . . . 131 GLU H . 16304 1 575 . 1 1 131 131 GLU C C 13 173.793 0.3 . 1 . . . . 131 GLU C . 16304 1 576 . 1 1 131 131 GLU CA C 13 53.251 0.3 . 1 . . . . 131 GLU CA . 16304 1 577 . 1 1 131 131 GLU CB C 13 29.118 0.3 . 1 . . . . 131 GLU CB . 16304 1 578 . 1 1 131 131 GLU N N 15 126.007 0.3 . 1 . . . . 131 GLU N . 16304 1 579 . 1 1 133 133 GLU H H 1 8.463 0.020 . 1 . . . . 133 GLU H . 16304 1 580 . 1 1 133 133 GLU C C 13 175.404 0.3 . 1 . . . . 133 GLU C . 16304 1 581 . 1 1 133 133 GLU CA C 13 56.137 0.3 . 1 . . . . 133 GLU CA . 16304 1 582 . 1 1 133 133 GLU CB C 13 29.118 0.3 . 1 . . . . 133 GLU CB . 16304 1 583 . 1 1 133 133 GLU N N 15 122.046 0.3 . 1 . . . . 133 GLU N . 16304 1 584 . 1 1 134 134 ALA H H 1 7.932 0.020 . 1 . . . . 134 ALA H . 16304 1 585 . 1 1 134 134 ALA C C 13 176.077 0.3 . 1 . . . . 134 ALA C . 16304 1 586 . 1 1 134 134 ALA CA C 13 53.358 0.3 . 1 . . . . 134 ALA CA . 16304 1 587 . 1 1 134 134 ALA CB C 13 19.271 0.3 . 1 . . . . 134 ALA CB . 16304 1 588 . 1 1 134 134 ALA N N 15 131.290 0.3 . 1 . . . . 134 ALA N . 16304 1 stop_ save_