data_16547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16547 _Entry.Title ; Backbone 1H and 15N Chemical Shifts for Disordered E46K alpha-Synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-07 _Entry.Accession_date 2009-10-07 _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 '1H/15N chemical shift assignments for disordered E46K alpha-synuclein at pH 6.0' _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 Christina Bodner . R. . 16547 2 Christopher Dobson . M. . 16547 3 Ad Bax . . . 16547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 133 16547 '1H chemical shifts' 133 16547 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-04-29 2009-10-07 update BMRB 'update related entries' 16547 2 . . 2010-02-23 2009-10-07 update BMRB 'completed entry citation' 16547 1 . . 2010-01-28 2009-10-07 original author 'original release' 16547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16300 aSyn 16547 BMRB 16342 aSyn-pH3 16547 BMRB 16543 '1H/15N chemical shift assignments for disordered alpha-synuclein at pH 6.0' 16547 BMRB 16546 '1H/15N chemical shift assignments for disordered A30P alpha-synuclein at pH 6.0' 16547 BMRB 16548 '1H/15N chemical shift assignments for disordered A53T alpha-synuclein at pH 6.0' 16547 BMRB 16904 alpha-synuclei 16547 BMRB 6968 aSyn-protonless 16547 BMRB 7244 gSyn 16547 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16547 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20041693 _Citation.Full_citation . _Citation.Title 'Differential phospholipid binding of alpha-synuclein variants implicated in Parkinson's disease revealed by solution NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 5 _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 862 _Citation.Page_last 871 _Citation.Year 2010 _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 Christina Bodner . R. . 16547 1 2 Alexander Maltsev . S. . 16547 1 3 Christopher Dobson . M. . 16547 1 4 Ad Bax . . . 16547 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID alpha-helix 16547 1 'membrane binding' 16547 1 NOE 16547 1 relaxation 16547 1 SUV 16547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16547 _Assembly.ID 1 _Assembly.Name 'monomer E46K alpha-synuclein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 E46K alpha-synuclein' 1 $E46K_alpha-synuclein A . yes native no no . . . 16547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E46K_alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode E46K_alpha-synuclein _Entity.Entry_ID 16547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E46K_alpha-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 ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKKGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; _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 140 _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 16300 . alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 3 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 99.29 5.19e-88 . . . . 16547 1 6 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 98.57 99.29 2.08e-88 . . . . 16547 1 7 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 8 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 9.36e-88 . . . . 16547 1 9 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 99.29 5.19e-88 . . . . 16547 1 10 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 11 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 97.86 98.57 8.22e-87 . . . . 16547 1 12 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 98.57 3.40e-87 . . . . 16547 1 13 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.05e-88 . . . . 16547 1 14 no BMRB 17665 . aSyn . . . . . 100.00 150 99.29 100.00 2.06e-88 . . . . 16547 1 15 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 98.57 99.29 9.36e-88 . . . . 16547 1 16 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 98.57 3.40e-87 . . . . 16547 1 17 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.05e-88 . . . . 16547 1 18 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 9.36e-88 . . . . 16547 1 19 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 20 no BMRB 18860 . a-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 21 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 22 no BMRB 19337 . aSyn . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 23 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 98.57 99.29 2.08e-88 . . . . 16547 1 24 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 98.57 100.00 2.27e-88 . . . . 16547 1 25 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 97.86 99.29 9.57e-88 . . . . 16547 1 26 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 27 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 98.57 99.29 2.08e-88 . . . . 16547 1 28 no BMRB 25227 . aSyn-WT . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 29 no BMRB 25228 . H50Q . . . . . 100.00 140 98.57 99.29 8.87e-88 . . . . 16547 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 32 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 33 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 34 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 35 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 36 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 37 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 97.86 98.57 1.99e-87 . . . . 16547 1 38 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 39 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 40 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 41 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 42 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 43 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.14 97.86 6.54e-86 . . . . 16547 1 44 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 98.57 99.29 8.40e-88 . . . . 16547 1 45 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 46 no SP P37840 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 47 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 1.56e-88 . . . . 16547 1 48 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16547 1 49 no SP P61142 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.86 100.00 2.17e-88 . . . . 16547 1 50 no SP P61143 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.86 100.00 2.17e-88 . . . . 16547 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 . 16547 1 2 . ASP . 16547 1 3 . VAL . 16547 1 4 . PHE . 16547 1 5 . MET . 16547 1 6 . LYS . 16547 1 7 . GLY . 16547 1 8 . LEU . 16547 1 9 . SER . 16547 1 10 . LYS . 16547 1 11 . ALA . 16547 1 12 . LYS . 16547 1 13 . GLU . 16547 1 14 . GLY . 16547 1 15 . VAL . 16547 1 16 . VAL . 16547 1 17 . ALA . 16547 1 18 . ALA . 16547 1 19 . ALA . 16547 1 20 . GLU . 16547 1 21 . LYS . 16547 1 22 . THR . 16547 1 23 . LYS . 16547 1 24 . GLN . 16547 1 25 . GLY . 16547 1 26 . VAL . 16547 1 27 . ALA . 16547 1 28 . GLU . 16547 1 29 . ALA . 16547 1 30 . ALA . 16547 1 31 . GLY . 16547 1 32 . LYS . 16547 1 33 . THR . 16547 1 34 . LYS . 16547 1 35 . GLU . 16547 1 36 . GLY . 16547 1 37 . VAL . 16547 1 38 . LEU . 16547 1 39 . TYR . 16547 1 40 . VAL . 16547 1 41 . GLY . 16547 1 42 . SER . 16547 1 43 . LYS . 16547 1 44 . THR . 16547 1 45 . LYS . 16547 1 46 . LYS . 16547 1 47 . GLY . 16547 1 48 . VAL . 16547 1 49 . VAL . 16547 1 50 . HIS . 16547 1 51 . GLY . 16547 1 52 . VAL . 16547 1 53 . ALA . 16547 1 54 . THR . 16547 1 55 . VAL . 16547 1 56 . ALA . 16547 1 57 . GLU . 16547 1 58 . LYS . 16547 1 59 . THR . 16547 1 60 . LYS . 16547 1 61 . GLU . 16547 1 62 . GLN . 16547 1 63 . VAL . 16547 1 64 . THR . 16547 1 65 . ASN . 16547 1 66 . VAL . 16547 1 67 . GLY . 16547 1 68 . GLY . 16547 1 69 . ALA . 16547 1 70 . VAL . 16547 1 71 . VAL . 16547 1 72 . THR . 16547 1 73 . GLY . 16547 1 74 . VAL . 16547 1 75 . THR . 16547 1 76 . ALA . 16547 1 77 . VAL . 16547 1 78 . ALA . 16547 1 79 . GLN . 16547 1 80 . LYS . 16547 1 81 . THR . 16547 1 82 . VAL . 16547 1 83 . GLU . 16547 1 84 . GLY . 16547 1 85 . ALA . 16547 1 86 . GLY . 16547 1 87 . SER . 16547 1 88 . ILE . 16547 1 89 . ALA . 16547 1 90 . ALA . 16547 1 91 . ALA . 16547 1 92 . THR . 16547 1 93 . GLY . 16547 1 94 . PHE . 16547 1 95 . VAL . 16547 1 96 . LYS . 16547 1 97 . LYS . 16547 1 98 . ASP . 16547 1 99 . GLN . 16547 1 100 . LEU . 16547 1 101 . GLY . 16547 1 102 . LYS . 16547 1 103 . ASN . 16547 1 104 . GLU . 16547 1 105 . GLU . 16547 1 106 . GLY . 16547 1 107 . ALA . 16547 1 108 . PRO . 16547 1 109 . GLN . 16547 1 110 . GLU . 16547 1 111 . GLY . 16547 1 112 . ILE . 16547 1 113 . LEU . 16547 1 114 . GLU . 16547 1 115 . ASP . 16547 1 116 . MET . 16547 1 117 . PRO . 16547 1 118 . VAL . 16547 1 119 . ASP . 16547 1 120 . PRO . 16547 1 121 . ASP . 16547 1 122 . ASN . 16547 1 123 . GLU . 16547 1 124 . ALA . 16547 1 125 . TYR . 16547 1 126 . GLU . 16547 1 127 . MET . 16547 1 128 . PRO . 16547 1 129 . SER . 16547 1 130 . GLU . 16547 1 131 . GLU . 16547 1 132 . GLY . 16547 1 133 . TYR . 16547 1 134 . GLN . 16547 1 135 . ASP . 16547 1 136 . TYR . 16547 1 137 . GLU . 16547 1 138 . PRO . 16547 1 139 . GLU . 16547 1 140 . ALA . 16547 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 16547 1 . ASP 2 2 16547 1 . VAL 3 3 16547 1 . PHE 4 4 16547 1 . MET 5 5 16547 1 . LYS 6 6 16547 1 . GLY 7 7 16547 1 . LEU 8 8 16547 1 . SER 9 9 16547 1 . LYS 10 10 16547 1 . ALA 11 11 16547 1 . LYS 12 12 16547 1 . GLU 13 13 16547 1 . GLY 14 14 16547 1 . VAL 15 15 16547 1 . VAL 16 16 16547 1 . ALA 17 17 16547 1 . ALA 18 18 16547 1 . ALA 19 19 16547 1 . GLU 20 20 16547 1 . LYS 21 21 16547 1 . THR 22 22 16547 1 . LYS 23 23 16547 1 . GLN 24 24 16547 1 . GLY 25 25 16547 1 . VAL 26 26 16547 1 . ALA 27 27 16547 1 . GLU 28 28 16547 1 . ALA 29 29 16547 1 . ALA 30 30 16547 1 . GLY 31 31 16547 1 . LYS 32 32 16547 1 . THR 33 33 16547 1 . LYS 34 34 16547 1 . GLU 35 35 16547 1 . GLY 36 36 16547 1 . VAL 37 37 16547 1 . LEU 38 38 16547 1 . TYR 39 39 16547 1 . VAL 40 40 16547 1 . GLY 41 41 16547 1 . SER 42 42 16547 1 . LYS 43 43 16547 1 . THR 44 44 16547 1 . LYS 45 45 16547 1 . LYS 46 46 16547 1 . GLY 47 47 16547 1 . VAL 48 48 16547 1 . VAL 49 49 16547 1 . HIS 50 50 16547 1 . GLY 51 51 16547 1 . VAL 52 52 16547 1 . ALA 53 53 16547 1 . THR 54 54 16547 1 . VAL 55 55 16547 1 . ALA 56 56 16547 1 . GLU 57 57 16547 1 . LYS 58 58 16547 1 . THR 59 59 16547 1 . LYS 60 60 16547 1 . GLU 61 61 16547 1 . GLN 62 62 16547 1 . VAL 63 63 16547 1 . THR 64 64 16547 1 . ASN 65 65 16547 1 . VAL 66 66 16547 1 . GLY 67 67 16547 1 . GLY 68 68 16547 1 . ALA 69 69 16547 1 . VAL 70 70 16547 1 . VAL 71 71 16547 1 . THR 72 72 16547 1 . GLY 73 73 16547 1 . VAL 74 74 16547 1 . THR 75 75 16547 1 . ALA 76 76 16547 1 . VAL 77 77 16547 1 . ALA 78 78 16547 1 . GLN 79 79 16547 1 . LYS 80 80 16547 1 . THR 81 81 16547 1 . VAL 82 82 16547 1 . GLU 83 83 16547 1 . GLY 84 84 16547 1 . ALA 85 85 16547 1 . GLY 86 86 16547 1 . SER 87 87 16547 1 . ILE 88 88 16547 1 . ALA 89 89 16547 1 . ALA 90 90 16547 1 . ALA 91 91 16547 1 . THR 92 92 16547 1 . GLY 93 93 16547 1 . PHE 94 94 16547 1 . VAL 95 95 16547 1 . LYS 96 96 16547 1 . LYS 97 97 16547 1 . ASP 98 98 16547 1 . GLN 99 99 16547 1 . LEU 100 100 16547 1 . GLY 101 101 16547 1 . LYS 102 102 16547 1 . ASN 103 103 16547 1 . GLU 104 104 16547 1 . GLU 105 105 16547 1 . GLY 106 106 16547 1 . ALA 107 107 16547 1 . PRO 108 108 16547 1 . GLN 109 109 16547 1 . GLU 110 110 16547 1 . GLY 111 111 16547 1 . ILE 112 112 16547 1 . LEU 113 113 16547 1 . GLU 114 114 16547 1 . ASP 115 115 16547 1 . MET 116 116 16547 1 . PRO 117 117 16547 1 . VAL 118 118 16547 1 . ASP 119 119 16547 1 . PRO 120 120 16547 1 . ASP 121 121 16547 1 . ASN 122 122 16547 1 . GLU 123 123 16547 1 . ALA 124 124 16547 1 . TYR 125 125 16547 1 . GLU 126 126 16547 1 . MET 127 127 16547 1 . PRO 128 128 16547 1 . SER 129 129 16547 1 . GLU 130 130 16547 1 . GLU 131 131 16547 1 . GLY 132 132 16547 1 . TYR 133 133 16547 1 . GLN 134 134 16547 1 . ASP 135 135 16547 1 . TYR 136 136 16547 1 . GLU 137 137 16547 1 . PRO 138 138 16547 1 . GLU 139 139 16547 1 . ALA 140 140 16547 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 16547 _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 $E46K_alpha-synuclein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16547 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 16547 _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 $E46K_alpha-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BLD21 . . . . . . . . . . . . . . . pET28(a) . . . . . . 16547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16547 _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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16547 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16547 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16547 1 4 protein '[U-15N; U-2H]' . . 1 $E46K_alpha-synuclein . . 0.6 . . mM . . . . 16547 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 16547 _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' 20 . mM 16547 1 pH 6.0 . pH 16547 1 pressure 1 . atm 16547 1 temperature 293 . K 16547 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16547 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16547 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16547 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 16547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 16547 _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 DMX . 600 . . . 16547 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 16547 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16547 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 16547 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Not corrected for 2H isotope effect.' 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 H 1 water protons . . . . ppm 4.82 internal direct 1.0 . . . . . . . . . 16547 1 N 15 water protons . . . . ppm 4.82 internal indirect 0.101329118 . . . . . . . . . 16547 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 16547 _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 '2D 1H-15N HSQC' . . . 16547 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 8.216 0.01 . 1 . . . . 3 V H . 16547 1 2 . 1 1 3 3 VAL N N 15 120.333 0.05 . 1 . . . . 3 V N . 16547 1 3 . 1 1 4 4 PHE H H 1 8.299 0.01 . 1 . . . . 4 F H . 16547 1 4 . 1 1 4 4 PHE N N 15 123.329 0.05 . 1 . . . . 4 F N . 16547 1 5 . 1 1 5 5 MET H H 1 8.179 0.01 . 1 . . . . 5 M H . 16547 1 6 . 1 1 5 5 MET N N 15 122.207 0.05 . 1 . . . . 5 M N . 16547 1 7 . 1 1 6 6 LYS H H 1 8.224 0.01 . 1 . . . . 6 K H . 16547 1 8 . 1 1 6 6 LYS N N 15 122.524 0.05 . 1 . . . . 6 K N . 16547 1 9 . 1 1 7 7 GLY H H 1 8.369 0.01 . 1 . . . . 7 G H . 16547 1 10 . 1 1 7 7 GLY N N 15 109.725 0.05 . 1 . . . . 7 G N . 16547 1 11 . 1 1 8 8 LEU H H 1 8.024 0.01 . 1 . . . . 8 L H . 16547 1 12 . 1 1 8 8 LEU N N 15 121.57 0.05 . 1 . . . . 8 L N . 16547 1 13 . 1 1 9 9 SER H H 1 8.283 0.01 . 1 . . . . 9 S H . 16547 1 14 . 1 1 9 9 SER N N 15 116.59 0.05 . 1 . . . . 9 S N . 16547 1 15 . 1 1 10 10 LYS H H 1 8.325 0.01 . 1 . . . . 10 K H . 16547 1 16 . 1 1 10 10 LYS N N 15 123.524 0.05 . 1 . . . . 10 K N . 16547 1 17 . 1 1 11 11 ALA H H 1 8.251 0.01 . 1 . . . . 11 A H . 16547 1 18 . 1 1 11 11 ALA N N 15 125.076 0.05 . 1 . . . . 11 A N . 16547 1 19 . 1 1 12 12 LYS H H 1 8.285 0.01 . 1 . . . . 12 K H . 16547 1 20 . 1 1 12 12 LYS N N 15 120.726 0.05 . 1 . . . . 12 K N . 16547 1 21 . 1 1 13 13 GLU H H 1 8.385 0.01 . 1 . . . . 13 E H . 16547 1 22 . 1 1 13 13 GLU N N 15 122.034 0.05 . 1 . . . . 13 E N . 16547 1 23 . 1 1 14 14 GLY H H 1 8.411 0.01 . 1 . . . . 14 G H . 16547 1 24 . 1 1 14 14 GLY N N 15 109.934 0.05 . 1 . . . . 14 G N . 16547 1 25 . 1 1 15 15 VAL H H 1 7.933 0.01 . 1 . . . . 15 V H . 16547 1 26 . 1 1 15 15 VAL N N 15 120.057 0.05 . 1 . . . . 15 V N . 16547 1 27 . 1 1 16 16 VAL H H 1 8.226 0.01 . 1 . . . . 16 V H . 16547 1 28 . 1 1 16 16 VAL N N 15 124.854 0.05 . 1 . . . . 16 V N . 16547 1 29 . 1 1 17 17 ALA H H 1 8.382 0.01 . 1 . . . . 17 A H . 16547 1 30 . 1 1 17 17 ALA N N 15 128.119 0.05 . 1 . . . . 17 A N . 16547 1 31 . 1 1 18 18 ALA H H 1 8.254 0.01 . 1 . . . . 18 A H . 16547 1 32 . 1 1 18 18 ALA N N 15 123.479 0.05 . 1 . . . . 18 A N . 16547 1 33 . 1 1 19 19 ALA H H 1 8.223 0.01 . 1 . . . . 19 A H . 16547 1 34 . 1 1 19 19 ALA N N 15 122.881 0.05 . 1 . . . . 19 A N . 16547 1 35 . 1 1 20 20 GLU H H 1 8.279 0.01 . 1 . . . . 20 E H . 16547 1 36 . 1 1 20 20 GLU N N 15 119.915 0.05 . 1 . . . . 20 E N . 16547 1 37 . 1 1 21 21 LYS H H 1 8.29 0.01 . 1 . . . . 21 K H . 16547 1 38 . 1 1 21 21 LYS N N 15 122.086 0.05 . 1 . . . . 21 K N . 16547 1 39 . 1 1 22 22 THR H H 1 8.082 0.01 . 1 . . . . 22 T H . 16547 1 40 . 1 1 22 22 THR N N 15 115.004 0.05 . 1 . . . . 22 T N . 16547 1 41 . 1 1 23 23 LYS H H 1 8.294 0.01 . 1 . . . . 23 K H . 16547 1 42 . 1 1 23 23 LYS N N 15 123.566 0.05 . 1 . . . . 23 K N . 16547 1 43 . 1 1 24 24 GLN H H 1 8.373 0.01 . 1 . . . . 24 Q H . 16547 1 44 . 1 1 24 24 GLN N N 15 121.52 0.05 . 1 . . . . 24 Q N . 16547 1 45 . 1 1 25 25 GLY H H 1 8.438 0.01 . 1 . . . . 25 G H . 16547 1 46 . 1 1 25 25 GLY N N 15 110.4 0.05 . 1 . . . . 25 G N . 16547 1 47 . 1 1 26 26 VAL H H 1 7.969 0.01 . 1 . . . . 26 V H . 16547 1 48 . 1 1 26 26 VAL N N 15 119.646 0.05 . 1 . . . . 26 V N . 16547 1 49 . 1 1 27 27 ALA H H 1 8.378 0.01 . 1 . . . . 27 A H . 16547 1 50 . 1 1 27 27 ALA N N 15 127.119 0.05 . 1 . . . . 27 A N . 16547 1 51 . 1 1 28 28 GLU H H 1 8.345 0.01 . 1 . . . . 28 E H . 16547 1 52 . 1 1 28 28 GLU N N 15 120.401 0.05 . 1 . . . . 28 E N . 16547 1 53 . 1 1 29 29 ALA H H 1 8.25 0.01 . 1 . . . . 29 A H . 16547 1 54 . 1 1 29 29 ALA N N 15 124.713 0.05 . 1 . . . . 29 A N . 16547 1 55 . 1 1 30 30 ALA H H 1 8.189 0.01 . 1 . . . . 30 A H . 16547 1 56 . 1 1 30 30 ALA N N 15 122.861 0.05 . 1 . . . . 30 A N . 16547 1 57 . 1 1 31 31 GLY H H 1 8.269 0.01 . 1 . . . . 31 G H . 16547 1 58 . 1 1 31 31 GLY N N 15 107.682 0.05 . 1 . . . . 31 G N . 16547 1 59 . 1 1 32 32 LYS H H 1 8.078 0.01 . 1 . . . . 32 K H . 16547 1 60 . 1 1 32 32 LYS N N 15 120.687 0.05 . 1 . . . . 32 K N . 16547 1 61 . 1 1 33 33 THR H H 1 8.182 0.01 . 1 . . . . 33 T H . 16547 1 62 . 1 1 33 33 THR N N 15 115.424 0.05 . 1 . . . . 33 T N . 16547 1 63 . 1 1 34 34 LYS H H 1 8.419 0.01 . 1 . . . . 34 K H . 16547 1 64 . 1 1 34 34 LYS N N 15 123.653 0.05 . 1 . . . . 34 K N . 16547 1 65 . 1 1 35 35 GLU H H 1 8.408 0.01 . 1 . . . . 35 E H . 16547 1 66 . 1 1 35 35 GLU N N 15 121.837 0.05 . 1 . . . . 35 E N . 16547 1 67 . 1 1 36 36 GLY H H 1 8.39 0.01 . 1 . . . . 36 G H . 16547 1 68 . 1 1 36 36 GLY N N 15 109.813 0.05 . 1 . . . . 36 G N . 16547 1 69 . 1 1 37 37 VAL H H 1 7.858 0.01 . 1 . . . . 37 V H . 16547 1 70 . 1 1 37 37 VAL N N 15 119.502 0.05 . 1 . . . . 37 V N . 16547 1 71 . 1 1 38 38 LEU H H 1 8.224 0.01 . 1 . . . . 38 L H . 16547 1 72 . 1 1 38 38 LEU N N 15 125.551 0.05 . 1 . . . . 38 L N . 16547 1 73 . 1 1 39 39 TYR H H 1 8.22 0.01 . 1 . . . . 39 Y H . 16547 1 74 . 1 1 39 39 TYR N N 15 122.172 0.05 . 1 . . . . 39 Y N . 16547 1 75 . 1 1 40 40 VAL H H 1 8.047 0.01 . 1 . . . . 40 V H . 16547 1 76 . 1 1 40 40 VAL N N 15 122.898 0.05 . 1 . . . . 40 V N . 16547 1 77 . 1 1 41 41 GLY H H 1 7.993 0.01 . 1 . . . . 41 G H . 16547 1 78 . 1 1 41 41 GLY N N 15 111.769 0.05 . 1 . . . . 41 G N . 16547 1 79 . 1 1 42 42 SER H H 1 8.221 0.01 . 1 . . . . 42 S H . 16547 1 80 . 1 1 42 42 SER N N 15 115.535 0.05 . 1 . . . . 42 S N . 16547 1 81 . 1 1 43 43 LYS H H 1 8.464 0.01 . 1 . . . . 43 K H . 16547 1 82 . 1 1 43 43 LYS N N 15 123.233 0.05 . 1 . . . . 43 K N . 16547 1 83 . 1 1 44 44 THR H H 1 8.082 0.01 . 1 . . . . 44 T H . 16547 1 84 . 1 1 44 44 THR N N 15 115.004 0.05 . 1 . . . . 44 T N . 16547 1 85 . 1 1 45 45 LYS H H 1 8.339 0.01 . 1 . . . . 45 K H . 16547 1 86 . 1 1 45 45 LYS N N 15 124.175 0.05 . 1 . . . . 45 K N . 16547 1 87 . 1 1 46 46 LYS H H 1 8.368 0.01 . 1 . . . . 46 E H . 16547 1 88 . 1 1 46 46 LYS N N 15 123.037 0.05 . 1 . . . . 46 E N . 16547 1 89 . 1 1 47 47 GLY H H 1 8.407 0.01 . 1 . . . . 47 G H . 16547 1 90 . 1 1 47 47 GLY N N 15 110.328 0.05 . 1 . . . . 47 G N . 16547 1 91 . 1 1 48 48 VAL H H 1 7.961 0.01 . 1 . . . . 48 V H . 16547 1 92 . 1 1 48 48 VAL N N 15 119.9 0.05 . 1 . . . . 48 V N . 16547 1 93 . 1 1 49 49 VAL H H 1 8.25 0.01 . 1 . . . . 49 V H . 16547 1 94 . 1 1 49 49 VAL N N 15 124.713 0.05 . 1 . . . . 49 V N . 16547 1 95 . 1 1 50 50 HIS H H 1 8.608 0.01 . 1 . . . . 50 H H . 16547 1 96 . 1 1 50 50 HIS N N 15 123.415 0.05 . 1 . . . . 50 H N . 16547 1 97 . 1 1 51 51 GLY H H 1 8.434 0.01 . 1 . . . . 51 G H . 16547 1 98 . 1 1 51 51 GLY N N 15 110.472 0.05 . 1 . . . . 51 G N . 16547 1 99 . 1 1 52 52 VAL H H 1 8.036 0.01 . 1 . . . . 52 V H . 16547 1 100 . 1 1 52 52 VAL N N 15 119.507 0.05 . 1 . . . . 52 V N . 16547 1 101 . 1 1 53 53 ALA H H 1 8.442 0.01 . 1 . . . . 53 A H . 16547 1 102 . 1 1 53 53 ALA N N 15 127.831 0.05 . 1 . . . . 53 A N . 16547 1 103 . 1 1 54 54 THR H H 1 8.169 0.01 . 1 . . . . 54 T H . 16547 1 104 . 1 1 54 54 THR N N 15 114.608 0.05 . 1 . . . . 54 T N . 16547 1 105 . 1 1 55 55 VAL H H 1 8.177 0.01 . 1 . . . . 55 V H . 16547 1 106 . 1 1 55 55 VAL N N 15 122.678 0.05 . 1 . . . . 55 V N . 16547 1 107 . 1 1 56 56 ALA H H 1 8.358 0.01 . 1 . . . . 56 A H . 16547 1 108 . 1 1 56 56 ALA N N 15 127.636 0.05 . 1 . . . . 56 A N . 16547 1 109 . 1 1 57 57 GLU H H 1 8.311 0.01 . 1 . . . . 57 E H . 16547 1 110 . 1 1 57 57 GLU N N 15 120.645 0.05 . 1 . . . . 57 E N . 16547 1 111 . 1 1 58 58 LYS H H 1 8.37 0.01 . 1 . . . . 58 K H . 16547 1 112 . 1 1 58 58 LYS N N 15 122.531 0.05 . 1 . . . . 58 K N . 16547 1 113 . 1 1 59 59 THR H H 1 8.151 0.01 . 1 . . . . 59 T H . 16547 1 114 . 1 1 59 59 THR N N 15 115.588 0.05 . 1 . . . . 59 T N . 16547 1 115 . 1 1 60 60 LYS H H 1 8.322 0.01 . 1 . . . . 60 K H . 16547 1 116 . 1 1 60 60 LYS N N 15 123.409 0.05 . 1 . . . . 60 K N . 16547 1 117 . 1 1 61 61 GLU H H 1 8.374 0.01 . 1 . . . . 61 E H . 16547 1 118 . 1 1 61 61 GLU N N 15 121.815 0.05 . 1 . . . . 61 E N . 16547 1 119 . 1 1 62 62 GLN H H 1 8.371 0.01 . 1 . . . . 62 Q H . 16547 1 120 . 1 1 62 62 GLN N N 15 121.54 0.05 . 1 . . . . 62 Q N . 16547 1 121 . 1 1 63 63 VAL H H 1 8.224 0.01 . 1 . . . . 63 V H . 16547 1 122 . 1 1 63 63 VAL N N 15 121.673 0.05 . 1 . . . . 63 V N . 16547 1 123 . 1 1 64 64 THR H H 1 8.246 0.01 . 1 . . . . 64 T H . 16547 1 124 . 1 1 64 64 THR N N 15 117.775 0.05 . 1 . . . . 64 T N . 16547 1 125 . 1 1 65 65 ASN H H 1 8.464 0.01 . 1 . . . . 65 N H . 16547 1 126 . 1 1 65 65 ASN N N 15 121.605 0.05 . 1 . . . . 65 N N . 16547 1 127 . 1 1 66 66 VAL H H 1 8.19 0.01 . 1 . . . . 66 V H . 16547 1 128 . 1 1 66 66 VAL N N 15 120.612 0.05 . 1 . . . . 66 V N . 16547 1 129 . 1 1 67 67 GLY H H 1 8.496 0.01 . 1 . . . . 67 G H . 16547 1 130 . 1 1 67 67 GLY N N 15 112.389 0.05 . 1 . . . . 67 G N . 16547 1 131 . 1 1 68 68 GLY H H 1 8.188 0.01 . 1 . . . . 68 G H . 16547 1 132 . 1 1 68 68 GLY N N 15 108.802 0.05 . 1 . . . . 68 G N . 16547 1 133 . 1 1 69 69 ALA H H 1 8.114 0.01 . 1 . . . . 69 A H . 16547 1 134 . 1 1 69 69 ALA N N 15 123.7 0.05 . 1 . . . . 69 A N . 16547 1 135 . 1 1 70 70 VAL H H 1 8.151 0.01 . 1 . . . . 70 V H . 16547 1 136 . 1 1 70 70 VAL N N 15 120.275 0.05 . 1 . . . . 70 V N . 16547 1 137 . 1 1 71 71 VAL H H 1 8.32 0.01 . 1 . . . . 71 V H . 16547 1 138 . 1 1 71 71 VAL N N 15 125.009 0.05 . 1 . . . . 71 V N . 16547 1 139 . 1 1 72 72 THR H H 1 8.247 0.01 . 1 . . . . 72 T H . 16547 1 140 . 1 1 72 72 THR N N 15 118.291 0.05 . 1 . . . . 72 T N . 16547 1 141 . 1 1 73 73 GLY H H 1 8.381 0.01 . 1 . . . . 73 G H . 16547 1 142 . 1 1 73 73 GLY N N 15 111.151 0.05 . 1 . . . . 73 G N . 16547 1 143 . 1 1 74 74 VAL H H 1 8.033 0.01 . 1 . . . . 74 V H . 16547 1 144 . 1 1 74 74 VAL N N 15 119.476 0.05 . 1 . . . . 74 V N . 16547 1 145 . 1 1 75 75 THR H H 1 8.235 0.01 . 1 . . . . 75 T H . 16547 1 146 . 1 1 75 75 THR N N 15 118.509 0.05 . 1 . . . . 75 T N . 16547 1 147 . 1 1 76 76 ALA H H 1 8.304 0.01 . 1 . . . . 76 A H . 16547 1 148 . 1 1 76 76 ALA N N 15 127.044 0.05 . 1 . . . . 76 A N . 16547 1 149 . 1 1 77 77 VAL H H 1 8.073 0.01 . 1 . . . . 77 V H . 16547 1 150 . 1 1 77 77 VAL N N 15 119.778 0.05 . 1 . . . . 77 V N . 16547 1 151 . 1 1 78 78 ALA H H 1 8.338 0.01 . 1 . . . . 78 A H . 16547 1 152 . 1 1 78 78 ALA N N 15 127.722 0.05 . 1 . . . . 78 A N . 16547 1 153 . 1 1 79 79 GLN H H 1 8.323 0.01 . 1 . . . . 79 Q H . 16547 1 154 . 1 1 79 79 GLN N N 15 120.098 0.05 . 1 . . . . 79 Q N . 16547 1 155 . 1 1 80 80 LYS H H 1 8.372 0.01 . 1 . . . . 80 K H . 16547 1 156 . 1 1 80 80 LYS N N 15 123.027 0.05 . 1 . . . . 80 K N . 16547 1 157 . 1 1 81 81 THR H H 1 8.234 0.01 . 1 . . . . 81 T H . 16547 1 158 . 1 1 81 81 THR N N 15 116.655 0.05 . 1 . . . . 81 T N . 16547 1 159 . 1 1 82 82 VAL H H 1 8.248 0.01 . 1 . . . . 82 V H . 16547 1 160 . 1 1 82 82 VAL N N 15 122.713 0.05 . 1 . . . . 82 V N . 16547 1 161 . 1 1 83 83 GLU H H 1 8.513 0.01 . 1 . . . . 83 E H . 16547 1 162 . 1 1 83 83 GLU N N 15 124.971 0.05 . 1 . . . . 83 E N . 16547 1 163 . 1 1 84 84 GLY H H 1 8.456 0.01 . 1 . . . . 84 G H . 16547 1 164 . 1 1 84 84 GLY N N 15 110.523 0.05 . 1 . . . . 84 G N . 16547 1 165 . 1 1 85 85 ALA H H 1 8.214 0.01 . 1 . . . . 85 A H . 16547 1 166 . 1 1 85 85 ALA N N 15 123.888 0.05 . 1 . . . . 85 A N . 16547 1 167 . 1 1 86 86 GLY H H 1 8.438 0.01 . 1 . . . . 86 G H . 16547 1 168 . 1 1 86 86 GLY N N 15 108.047 0.05 . 1 . . . . 86 G N . 16547 1 169 . 1 1 87 87 SER H H 1 8.111 0.01 . 1 . . . . 87 S H . 16547 1 170 . 1 1 87 87 SER N N 15 115.648 0.05 . 1 . . . . 87 S N . 16547 1 171 . 1 1 88 88 ILE H H 1 8.143 0.01 . 1 . . . . 88 I H . 16547 1 172 . 1 1 88 88 ILE N N 15 122.647 0.05 . 1 . . . . 88 I N . 16547 1 173 . 1 1 89 89 ALA H H 1 8.29 0.01 . 1 . . . . 89 A H . 16547 1 174 . 1 1 89 89 ALA N N 15 127.699 0.05 . 1 . . . . 89 A N . 16547 1 175 . 1 1 90 90 ALA H H 1 8.147 0.01 . 1 . . . . 90 A H . 16547 1 176 . 1 1 90 90 ALA N N 15 123.104 0.05 . 1 . . . . 90 A N . 16547 1 177 . 1 1 91 91 ALA H H 1 8.231 0.01 . 1 . . . . 91 A H . 16547 1 178 . 1 1 91 91 ALA N N 15 123.162 0.05 . 1 . . . . 91 A N . 16547 1 179 . 1 1 92 92 THR H H 1 8.035 0.01 . 1 . . . . 92 T H . 16547 1 180 . 1 1 92 92 THR N N 15 112.444 0.05 . 1 . . . . 92 T N . 16547 1 181 . 1 1 93 93 GLY H H 1 8.251 0.01 . 1 . . . . 93 G H . 16547 1 182 . 1 1 93 93 GLY N N 15 110.517 0.05 . 1 . . . . 93 G N . 16547 1 183 . 1 1 94 94 PHE H H 1 8.047 0.01 . 1 . . . . 94 F H . 16547 1 184 . 1 1 94 94 PHE N N 15 120.268 0.05 . 1 . . . . 94 F N . 16547 1 185 . 1 1 95 95 VAL H H 1 8.011 0.01 . 1 . . . . 95 V H . 16547 1 186 . 1 1 95 95 VAL N N 15 123.399 0.05 . 1 . . . . 95 V N . 16547 1 187 . 1 1 96 96 LYS H H 1 8.341 0.01 . 1 . . . . 96 K H . 16547 1 188 . 1 1 96 96 LYS N N 15 126.143 0.05 . 1 . . . . 96 K N . 16547 1 189 . 1 1 97 97 LYS H H 1 8.422 0.01 . 1 . . . . 97 K H . 16547 1 190 . 1 1 97 97 LYS N N 15 123.629 0.05 . 1 . . . . 97 K N . 16547 1 191 . 1 1 98 98 ASP H H 1 8.365 0.01 . 1 . . . . 98 D H . 16547 1 192 . 1 1 98 98 ASP N N 15 121.026 0.05 . 1 . . . . 98 D N . 16547 1 193 . 1 1 99 99 GLN H H 1 8.299 0.01 . 1 . . . . 99 Q H . 16547 1 194 . 1 1 99 99 GLN N N 15 120.071 0.05 . 1 . . . . 99 Q N . 16547 1 195 . 1 1 100 100 LEU H H 1 8.244 0.01 . 1 . . . . 100 L H . 16547 1 196 . 1 1 100 100 LEU N N 15 122.722 0.05 . 1 . . . . 100 L N . 16547 1 197 . 1 1 101 101 GLY H H 1 8.421 0.01 . 1 . . . . 101 G H . 16547 1 198 . 1 1 101 101 GLY N N 15 109.635 0.05 . 1 . . . . 101 G N . 16547 1 199 . 1 1 102 102 LYS H H 1 8.163 0.01 . 1 . . . . 102 K H . 16547 1 200 . 1 1 102 102 LYS N N 15 120.75 0.05 . 1 . . . . 102 K N . 16547 1 201 . 1 1 103 103 ASN H H 1 8.571 0.01 . 1 . . . . 103 N H . 16547 1 202 . 1 1 103 103 ASN N N 15 119.883 0.05 . 1 . . . . 103 N N . 16547 1 203 . 1 1 104 104 GLU H H 1 8.437 0.01 . 1 . . . . 104 E H . 16547 1 204 . 1 1 104 104 GLU N N 15 121.28 0.05 . 1 . . . . 104 E N . 16547 1 205 . 1 1 105 105 GLU H H 1 8.413 0.01 . 1 . . . . 105 E H . 16547 1 206 . 1 1 105 105 GLU N N 15 121.709 0.05 . 1 . . . . 105 E N . 16547 1 207 . 1 1 106 106 GLY H H 1 8.38 0.01 . 1 . . . . 106 G H . 16547 1 208 . 1 1 106 106 GLY N N 15 110.085 0.05 . 1 . . . . 106 G N . 16547 1 209 . 1 1 107 107 ALA H H 1 8.069 0.01 . 1 . . . . 107 A H . 16547 1 210 . 1 1 107 107 ALA N N 15 124.843 0.05 . 1 . . . . 107 A N . 16547 1 211 . 1 1 109 109 GLN H H 1 8.525 0.01 . 1 . . . . 109 Q H . 16547 1 212 . 1 1 109 109 GLN N N 15 120.983 0.05 . 1 . . . . 109 Q N . 16547 1 213 . 1 1 110 110 GLU H H 1 8.468 0.01 . 1 . . . . 110 E H . 16547 1 214 . 1 1 110 110 GLU N N 15 122.319 0.05 . 1 . . . . 110 E N . 16547 1 215 . 1 1 111 111 GLY H H 1 8.428 0.01 . 1 . . . . 111 G H . 16547 1 216 . 1 1 111 111 GLY N N 15 110.089 0.05 . 1 . . . . 111 G N . 16547 1 217 . 1 1 112 112 ILE H H 1 7.943 0.01 . 1 . . . . 112 I H . 16547 1 218 . 1 1 112 112 ILE N N 15 120.143 0.05 . 1 . . . . 112 I N . 16547 1 219 . 1 1 113 113 LEU H H 1 8.346 0.01 . 1 . . . . 113 L H . 16547 1 220 . 1 1 113 113 LEU N N 15 126.747 0.05 . 1 . . . . 113 L N . 16547 1 221 . 1 1 114 114 GLU H H 1 8.372 0.01 . 1 . . . . 114 E H . 16547 1 222 . 1 1 114 114 GLU N N 15 122.055 0.05 . 1 . . . . 114 E N . 16547 1 223 . 1 1 115 115 ASP H H 1 8.313 0.01 . 1 . . . . 115 D H . 16547 1 224 . 1 1 115 115 ASP N N 15 121.235 0.05 . 1 . . . . 115 D N . 16547 1 225 . 1 1 116 116 MET H H 1 8.204 0.01 . 1 . . . . 116 M H . 16547 1 226 . 1 1 116 116 MET N N 15 121.857 0.05 . 1 . . . . 116 M N . 16547 1 227 . 1 1 118 118 VAL H H 1 8.223 0.01 . 1 . . . . 118 V H . 16547 1 228 . 1 1 118 118 VAL N N 15 120.557 0.05 . 1 . . . . 118 V N . 16547 1 229 . 1 1 119 119 ASP H H 1 8.45 0.01 . 1 . . . . 119 D H . 16547 1 230 . 1 1 119 119 ASP N N 15 125.572 0.05 . 1 . . . . 119 D N . 16547 1 231 . 1 1 121 121 ASP H H 1 8.337 0.01 . 1 . . . . 121 D H . 16547 1 232 . 1 1 121 121 ASP N N 15 119.105 0.05 . 1 . . . . 121 D N . 16547 1 233 . 1 1 122 122 ASN H H 1 8.083 0.01 . 1 . . . . 122 N H . 16547 1 234 . 1 1 122 122 ASN N N 15 118.937 0.05 . 1 . . . . 122 N N . 16547 1 235 . 1 1 123 123 GLU H H 1 8.312 0.01 . 1 . . . . 123 E H . 16547 1 236 . 1 1 123 123 GLU N N 15 121.428 0.05 . 1 . . . . 123 E N . 16547 1 237 . 1 1 124 124 ALA H H 1 8.165 0.01 . 1 . . . . 124 A H . 16547 1 238 . 1 1 124 124 ALA N N 15 124.173 0.05 . 1 . . . . 124 A N . 16547 1 239 . 1 1 125 125 TYR H H 1 7.973 0.01 . 1 . . . . 125 Y H . 16547 1 240 . 1 1 125 125 TYR N N 15 119.612 0.05 . 1 . . . . 125 Y N . 16547 1 241 . 1 1 126 126 GLU H H 1 8.111 0.01 . 1 . . . . 126 E H . 16547 1 242 . 1 1 126 126 GLU N N 15 123.238 0.05 . 1 . . . . 126 E N . 16547 1 243 . 1 1 127 127 MET H H 1 8.368 0.01 . 1 . . . . 127 M H . 16547 1 244 . 1 1 127 127 MET N N 15 123.56 0.05 . 1 . . . . 127 M N . 16547 1 245 . 1 1 129 129 SER H H 1 8.41 0.01 . 1 . . . . 129 S H . 16547 1 246 . 1 1 129 129 SER N N 15 116.423 0.05 . 1 . . . . 129 S N . 16547 1 247 . 1 1 130 130 GLU H H 1 8.518 0.01 . 1 . . . . 130 E H . 16547 1 248 . 1 1 130 130 GLU N N 15 122.975 0.05 . 1 . . . . 130 E N . 16547 1 249 . 1 1 131 131 GLU H H 1 8.418 0.01 . 1 . . . . 131 E H . 16547 1 250 . 1 1 131 131 GLU N N 15 121.696 0.05 . 1 . . . . 131 E N . 16547 1 251 . 1 1 132 132 GLY H H 1 8.344 0.01 . 1 . . . . 132 G H . 16547 1 252 . 1 1 132 132 GLY N N 15 109.696 0.05 . 1 . . . . 132 G N . 16547 1 253 . 1 1 133 133 TYR H H 1 8.017 0.01 . 1 . . . . 133 Y H . 16547 1 254 . 1 1 133 133 TYR N N 15 120.19 0.05 . 1 . . . . 133 Y N . 16547 1 255 . 1 1 134 134 GLN H H 1 8.193 0.01 . 1 . . . . 134 Q H . 16547 1 256 . 1 1 134 134 GLN N N 15 122.419 0.05 . 1 . . . . 134 Q N . 16547 1 257 . 1 1 135 135 ASP H H 1 8.203 0.01 . 1 . . . . 135 D H . 16547 1 258 . 1 1 135 135 ASP N N 15 121.505 0.05 . 1 . . . . 135 D N . 16547 1 259 . 1 1 136 136 TYR H H 1 8.011 0.01 . 1 . . . . 136 Y H . 16547 1 260 . 1 1 136 136 TYR N N 15 120.41 0.05 . 1 . . . . 136 Y N . 16547 1 261 . 1 1 137 137 GLU H H 1 8.207 0.01 . 1 . . . . 137 E H . 16547 1 262 . 1 1 137 137 GLU N N 15 125.058 0.05 . 1 . . . . 137 E N . 16547 1 263 . 1 1 139 139 GLU H H 1 8.458 0.01 . 1 . . . . 139 E H . 16547 1 264 . 1 1 139 139 GLU N N 15 121.357 0.05 . 1 . . . . 139 E N . 16547 1 265 . 1 1 140 140 ALA H H 1 7.939 0.01 . 1 . . . . 140 A H . 16547 1 266 . 1 1 140 140 ALA N N 15 130.61 0.05 . 1 . . . . 140 A N . 16547 1 stop_ save_