data_19257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19257 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for alpha-synuclein in living E. coli cells ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-22 _Entry.Accession_date 2013-05-22 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Christopher Waudby . A. . 19257 2 Carlo Camilloni . . . 19257 3 Anthony Fitzpatrick . W. . 19257 4 Lisa Cabrita . D. . 19257 5 Christopher Dobson . M. . 19257 6 Michele Vendruscolo . . . 19257 7 John Christodoulou . . . 19257 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Structural and Molecular Biology, UCL' . 19257 2 . 'Department of Chemistry, University of Cambridge' . 19257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 19257 '15N chemical shifts' 114 19257 '1H chemical shifts' 114 19257 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 1 . . 2014-02-13 2013-05-22 original author . 19257 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19257 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23991082 _Citation.Full_citation . _Citation.Title 'In-cell NMR characterization of the secondary structure populations of a disordered conformation of -synuclein within E. coli cells.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 8 _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 e72286 _Citation.Page_last e72286 _Citation.Year 2013 _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 Christopher Waudby . A. . 19257 1 2 Carlo Camilloni . . . 19257 1 3 Anthony Fitzpatrick . W.P. . 19257 1 4 Lisa Cabrita . D. . 19257 1 5 Christopher Dobson . M. . 19257 1 6 Michele Vendruscolo . . . 19257 1 7 John Christodoulou . . . 19257 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'In-cell NMR' 19257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19257 _Assembly.ID 1 _Assembly.Name 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 Alpha-synuclein 1 $Alpha-synuclein A . yes 'intrinsically disordered' yes no . . . 19257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode Alpha-synuclein _Entity.Entry_ID 19257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 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 GSKTKEGVVHGVATVAEKTK 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 yes UNP P37840 . Alpha-synuclein . . . . . . . . . . . . . . 19257 1 2 no BMRB 16300 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 3 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 4 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 5 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 6 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 19257 1 7 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 19257 1 8 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 19257 1 9 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 10 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 19257 1 11 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 19257 1 12 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 13 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 2.27e-87 . . . . 19257 1 14 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 19257 1 15 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 19257 1 16 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 5.32e-89 . . . . 19257 1 17 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 19257 1 18 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 19257 1 19 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 19257 1 20 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 19257 1 21 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 22 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 23 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 24 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 19257 1 25 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 100.00 4.55e-89 . . . . 19257 1 26 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19257 1 27 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 28 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 19257 1 29 no BMRB 25227 . aSyn-WT . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 30 no BMRB 25228 . H50Q . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 19257 1 31 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 32 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 33 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 97.06 99.02 2.67e-56 . . . . 19257 1 34 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 35 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 36 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 37 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 38 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 39 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 98.57 98.57 5.92e-88 . . . . 19257 1 40 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 41 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 42 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 43 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 44 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 45 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 97.86 1.65e-86 . . . . 19257 1 46 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 99.29 99.29 1.99e-88 . . . . 19257 1 47 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 48 no SP P37840 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 49 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 100.00 2.50e-89 . . . . 19257 1 50 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 19257 1 51 no SP P61142 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 19257 1 52 no SP P61143 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 19257 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19257 1 2 2 ASP . 19257 1 3 3 VAL . 19257 1 4 4 PHE . 19257 1 5 5 MET . 19257 1 6 6 LYS . 19257 1 7 7 GLY . 19257 1 8 8 LEU . 19257 1 9 9 SER . 19257 1 10 10 LYS . 19257 1 11 11 ALA . 19257 1 12 12 LYS . 19257 1 13 13 GLU . 19257 1 14 14 GLY . 19257 1 15 15 VAL . 19257 1 16 16 VAL . 19257 1 17 17 ALA . 19257 1 18 18 ALA . 19257 1 19 19 ALA . 19257 1 20 20 GLU . 19257 1 21 21 LYS . 19257 1 22 22 THR . 19257 1 23 23 LYS . 19257 1 24 24 GLN . 19257 1 25 25 GLY . 19257 1 26 26 VAL . 19257 1 27 27 ALA . 19257 1 28 28 GLU . 19257 1 29 29 ALA . 19257 1 30 30 ALA . 19257 1 31 31 GLY . 19257 1 32 32 LYS . 19257 1 33 33 THR . 19257 1 34 34 LYS . 19257 1 35 35 GLU . 19257 1 36 36 GLY . 19257 1 37 37 VAL . 19257 1 38 38 LEU . 19257 1 39 39 TYR . 19257 1 40 40 VAL . 19257 1 41 41 GLY . 19257 1 42 42 SER . 19257 1 43 43 LYS . 19257 1 44 44 THR . 19257 1 45 45 LYS . 19257 1 46 46 GLU . 19257 1 47 47 GLY . 19257 1 48 48 VAL . 19257 1 49 49 VAL . 19257 1 50 50 HIS . 19257 1 51 51 GLY . 19257 1 52 52 VAL . 19257 1 53 53 ALA . 19257 1 54 54 THR . 19257 1 55 55 VAL . 19257 1 56 56 ALA . 19257 1 57 57 GLU . 19257 1 58 58 LYS . 19257 1 59 59 THR . 19257 1 60 60 LYS . 19257 1 61 61 GLU . 19257 1 62 62 GLN . 19257 1 63 63 VAL . 19257 1 64 64 THR . 19257 1 65 65 ASN . 19257 1 66 66 VAL . 19257 1 67 67 GLY . 19257 1 68 68 GLY . 19257 1 69 69 ALA . 19257 1 70 70 VAL . 19257 1 71 71 VAL . 19257 1 72 72 THR . 19257 1 73 73 GLY . 19257 1 74 74 VAL . 19257 1 75 75 THR . 19257 1 76 76 ALA . 19257 1 77 77 VAL . 19257 1 78 78 ALA . 19257 1 79 79 GLN . 19257 1 80 80 LYS . 19257 1 81 81 THR . 19257 1 82 82 VAL . 19257 1 83 83 GLU . 19257 1 84 84 GLY . 19257 1 85 85 ALA . 19257 1 86 86 GLY . 19257 1 87 87 SER . 19257 1 88 88 ILE . 19257 1 89 89 ALA . 19257 1 90 90 ALA . 19257 1 91 91 ALA . 19257 1 92 92 THR . 19257 1 93 93 GLY . 19257 1 94 94 PHE . 19257 1 95 95 VAL . 19257 1 96 96 LYS . 19257 1 97 97 LYS . 19257 1 98 98 ASP . 19257 1 99 99 GLN . 19257 1 100 100 LEU . 19257 1 101 101 GLY . 19257 1 102 102 LYS . 19257 1 103 103 ASN . 19257 1 104 104 GLU . 19257 1 105 105 GLU . 19257 1 106 106 GLY . 19257 1 107 107 ALA . 19257 1 108 108 PRO . 19257 1 109 109 GLN . 19257 1 110 110 GLU . 19257 1 111 111 GLY . 19257 1 112 112 ILE . 19257 1 113 113 LEU . 19257 1 114 114 GLU . 19257 1 115 115 ASP . 19257 1 116 116 MET . 19257 1 117 117 PRO . 19257 1 118 118 VAL . 19257 1 119 119 ASP . 19257 1 120 120 PRO . 19257 1 121 121 ASP . 19257 1 122 122 ASN . 19257 1 123 123 GLU . 19257 1 124 124 ALA . 19257 1 125 125 TYR . 19257 1 126 126 GLU . 19257 1 127 127 MET . 19257 1 128 128 PRO . 19257 1 129 129 SER . 19257 1 130 130 GLU . 19257 1 131 131 GLU . 19257 1 132 132 GLY . 19257 1 133 133 TYR . 19257 1 134 134 GLN . 19257 1 135 135 ASP . 19257 1 136 136 TYR . 19257 1 137 137 GLU . 19257 1 138 138 PRO . 19257 1 139 139 GLU . 19257 1 140 140 ALA . 19257 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 19257 1 . ASP 2 2 19257 1 . VAL 3 3 19257 1 . PHE 4 4 19257 1 . MET 5 5 19257 1 . LYS 6 6 19257 1 . GLY 7 7 19257 1 . LEU 8 8 19257 1 . SER 9 9 19257 1 . LYS 10 10 19257 1 . ALA 11 11 19257 1 . LYS 12 12 19257 1 . GLU 13 13 19257 1 . GLY 14 14 19257 1 . VAL 15 15 19257 1 . VAL 16 16 19257 1 . ALA 17 17 19257 1 . ALA 18 18 19257 1 . ALA 19 19 19257 1 . GLU 20 20 19257 1 . LYS 21 21 19257 1 . THR 22 22 19257 1 . LYS 23 23 19257 1 . GLN 24 24 19257 1 . GLY 25 25 19257 1 . VAL 26 26 19257 1 . ALA 27 27 19257 1 . GLU 28 28 19257 1 . ALA 29 29 19257 1 . ALA 30 30 19257 1 . GLY 31 31 19257 1 . LYS 32 32 19257 1 . THR 33 33 19257 1 . LYS 34 34 19257 1 . GLU 35 35 19257 1 . GLY 36 36 19257 1 . VAL 37 37 19257 1 . LEU 38 38 19257 1 . TYR 39 39 19257 1 . VAL 40 40 19257 1 . GLY 41 41 19257 1 . SER 42 42 19257 1 . LYS 43 43 19257 1 . THR 44 44 19257 1 . LYS 45 45 19257 1 . GLU 46 46 19257 1 . GLY 47 47 19257 1 . VAL 48 48 19257 1 . VAL 49 49 19257 1 . HIS 50 50 19257 1 . GLY 51 51 19257 1 . VAL 52 52 19257 1 . ALA 53 53 19257 1 . THR 54 54 19257 1 . VAL 55 55 19257 1 . ALA 56 56 19257 1 . GLU 57 57 19257 1 . LYS 58 58 19257 1 . THR 59 59 19257 1 . LYS 60 60 19257 1 . GLU 61 61 19257 1 . GLN 62 62 19257 1 . VAL 63 63 19257 1 . THR 64 64 19257 1 . ASN 65 65 19257 1 . VAL 66 66 19257 1 . GLY 67 67 19257 1 . GLY 68 68 19257 1 . ALA 69 69 19257 1 . VAL 70 70 19257 1 . VAL 71 71 19257 1 . THR 72 72 19257 1 . GLY 73 73 19257 1 . VAL 74 74 19257 1 . THR 75 75 19257 1 . ALA 76 76 19257 1 . VAL 77 77 19257 1 . ALA 78 78 19257 1 . GLN 79 79 19257 1 . LYS 80 80 19257 1 . THR 81 81 19257 1 . VAL 82 82 19257 1 . GLU 83 83 19257 1 . GLY 84 84 19257 1 . ALA 85 85 19257 1 . GLY 86 86 19257 1 . SER 87 87 19257 1 . ILE 88 88 19257 1 . ALA 89 89 19257 1 . ALA 90 90 19257 1 . ALA 91 91 19257 1 . THR 92 92 19257 1 . GLY 93 93 19257 1 . PHE 94 94 19257 1 . VAL 95 95 19257 1 . LYS 96 96 19257 1 . LYS 97 97 19257 1 . ASP 98 98 19257 1 . GLN 99 99 19257 1 . LEU 100 100 19257 1 . GLY 101 101 19257 1 . LYS 102 102 19257 1 . ASN 103 103 19257 1 . GLU 104 104 19257 1 . GLU 105 105 19257 1 . GLY 106 106 19257 1 . ALA 107 107 19257 1 . PRO 108 108 19257 1 . GLN 109 109 19257 1 . GLU 110 110 19257 1 . GLY 111 111 19257 1 . ILE 112 112 19257 1 . LEU 113 113 19257 1 . GLU 114 114 19257 1 . ASP 115 115 19257 1 . MET 116 116 19257 1 . PRO 117 117 19257 1 . VAL 118 118 19257 1 . ASP 119 119 19257 1 . PRO 120 120 19257 1 . ASP 121 121 19257 1 . ASN 122 122 19257 1 . GLU 123 123 19257 1 . ALA 124 124 19257 1 . TYR 125 125 19257 1 . GLU 126 126 19257 1 . MET 127 127 19257 1 . PRO 128 128 19257 1 . SER 129 129 19257 1 . GLU 130 130 19257 1 . GLU 131 131 19257 1 . GLY 132 132 19257 1 . TYR 133 133 19257 1 . GLN 134 134 19257 1 . ASP 135 135 19257 1 . TYR 136 136 19257 1 . GLU 137 137 19257 1 . PRO 138 138 19257 1 . GLU 139 139 19257 1 . ALA 140 140 19257 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 19257 _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 $Alpha-synuclein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19257 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 19257 _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 $Alpha-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pT7-7 . . . . . . 19257 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19257 _Sample.ID 1 _Sample.Type 'cell suspension' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Alpha-synuclein '[U-13C; U-15N]' . . 1 $Alpha-synuclein . . 1.7 . . mM 0.3 . . . 19257 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19257 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19257 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 19257 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 . pH 19257 1 pressure 1 . atm 19257 1 temperature 277 . K 19257 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19257 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19257 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19257 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19257 _Software.ID 2 _Software.Name NMRPipe _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' . . 19257 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19257 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19257 _Software.ID 3 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19257 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19257 3 'peak picking' 19257 3 stop_ save_ save_MATLAB _Software.Sf_category software _Software.Sf_framecode MATLAB _Software.Entry_ID 19257 _Software.ID 4 _Software.Name MATLAB _Software.Version R2011b _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MATLAB) The MathWorks Inc.' . . 19257 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19257 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19257 _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 19257 _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 . . . 19257 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 19257 _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 . . . . . . . . . . . . . . . . 19257 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19257 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19257 1 4 '1D 15N-XSTE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19257 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 19257 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19257 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19257 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19257 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 19257 _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' . . . 19257 1 2 '3D CBCA(CO)NH' . . . 19257 1 3 '3D HNCO' . . . 19257 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 2 2 ASP C C 13 175.9182 . . . . . . . 2 ASP C . 19257 1 2 . 1 1 3 3 VAL H H 1 8.3768 . . . . . . . 3 VAL H . 19257 1 3 . 1 1 3 3 VAL N N 15 120.7082 . . . . . . . 3 VAL N . 19257 1 4 . 1 1 7 7 GLY C C 13 174.2049 . . . . . . . 7 GLY C . 19257 1 5 . 1 1 8 8 LEU H H 1 8.1989 . . . . . . . 8 LEU H . 19257 1 6 . 1 1 8 8 LEU C C 13 177.794 . . . . . . . 8 LEU C . 19257 1 7 . 1 1 8 8 LEU N N 15 122.1472 . . . . . . . 8 LEU N . 19257 1 8 . 1 1 9 9 SER H H 1 8.451 . . . . . . . 9 SER H . 19257 1 9 . 1 1 9 9 SER C C 13 174.613 . . . . . . . 9 SER C . 19257 1 10 . 1 1 9 9 SER N N 15 116.9963 . . . . . . . 9 SER N . 19257 1 11 . 1 1 10 10 LYS H H 1 8.4797 . . . . . . . 10 LYS H . 19257 1 12 . 1 1 10 10 LYS N N 15 123.761 . . . . . . . 10 LYS N . 19257 1 13 . 1 1 11 11 ALA C C 13 178.0875 . . . . . . . 11 ALA C . 19257 1 14 . 1 1 12 12 LYS H H 1 8.4899 . . . . . . . 12 LYS H . 19257 1 15 . 1 1 12 12 LYS N N 15 121.1513 . . . . . . . 12 LYS N . 19257 1 16 . 1 1 14 14 GLY C C 13 174.1319 . . . . . . . 14 GLY C . 19257 1 17 . 1 1 15 15 VAL H H 1 8.0868 . . . . . . . 15 VAL H . 19257 1 18 . 1 1 15 15 VAL N N 15 120.5469 . . . . . . . 15 VAL N . 19257 1 19 . 1 1 16 16 VAL C C 13 176.0895 . . . . . . . 16 VAL C . 19257 1 20 . 1 1 17 17 ALA H H 1 8.5385 . . . . . . . 17 ALA H . 19257 1 21 . 1 1 17 17 ALA C C 13 177.8633 . . . . . . . 17 ALA C . 19257 1 22 . 1 1 17 17 ALA N N 15 128.4496 . . . . . . . 17 ALA N . 19257 1 23 . 1 1 18 18 ALA H H 1 8.3179 . . . . . . . 18 ALA H . 19257 1 24 . 1 1 18 18 ALA C C 13 178.0549 . . . . . . . 18 ALA C . 19257 1 25 . 1 1 18 18 ALA N N 15 123.035 . . . . . . . 18 ALA N . 19257 1 26 . 1 1 19 19 ALA H H 1 8.3835 . . . . . . . 19 ALA H . 19257 1 27 . 1 1 19 19 ALA C C 13 178.3894 . . . . . . . 19 ALA C . 19257 1 28 . 1 1 19 19 ALA N N 15 123.3725 . . . . . . . 19 ALA N . 19257 1 29 . 1 1 20 20 GLU H H 1 8.3924 . . . . . . . 20 GLU H . 19257 1 30 . 1 1 20 20 GLU C C 13 177.0101 . . . . . . . 20 GLU C . 19257 1 31 . 1 1 20 20 GLU N N 15 120.2009 . . . . . . . 20 GLU N . 19257 1 32 . 1 1 21 21 LYS H H 1 8.4465 . . . . . . . 21 LYS H . 19257 1 33 . 1 1 21 21 LYS C C 13 177.3105 . . . . . . . 21 LYS C . 19257 1 34 . 1 1 21 21 LYS N N 15 122.5727 . . . . . . . 21 LYS N . 19257 1 35 . 1 1 22 22 THR H H 1 8.2622 . . . . . . . 22 THR H . 19257 1 36 . 1 1 22 22 THR C C 13 174.8153 . . . . . . . 22 THR C . 19257 1 37 . 1 1 22 22 THR N N 15 115.702 . . . . . . . 22 THR N . 19257 1 38 . 1 1 23 23 LYS H H 1 8.4589 . . . . . . . 23 LYS H . 19257 1 39 . 1 1 23 23 LYS N N 15 123.9534 . . . . . . . 23 LYS N . 19257 1 40 . 1 1 24 24 GLN C C 13 176.7424 . . . . . . . 24 GLN C . 19257 1 41 . 1 1 25 25 GLY H H 1 8.5722 . . . . . . . 25 GLY H . 19257 1 42 . 1 1 25 25 GLY C C 13 174.4075 . . . . . . . 25 GLY C . 19257 1 43 . 1 1 25 25 GLY N N 15 110.5133 . . . . . . . 25 GLY N . 19257 1 44 . 1 1 26 26 VAL H H 1 8.1149 . . . . . . . 26 VAL H . 19257 1 45 . 1 1 26 26 VAL C C 13 176.5762 . . . . . . . 26 VAL C . 19257 1 46 . 1 1 26 26 VAL N N 15 120.1242 . . . . . . . 26 VAL N . 19257 1 47 . 1 1 27 27 ALA H H 1 8.5074 . . . . . . . 27 ALA H . 19257 1 48 . 1 1 27 27 ALA C C 13 177.705 . . . . . . . 27 ALA C . 19257 1 49 . 1 1 27 27 ALA CA C 13 52.3891 . . . . . . . 27 ALA CA . 19257 1 50 . 1 1 27 27 ALA CB C 13 18.865 . . . . . . . 27 ALA CB . 19257 1 51 . 1 1 27 27 ALA N N 15 127.3974 . . . . . . . 27 ALA N . 19257 1 52 . 1 1 28 28 GLU H H 1 8.490666667 . . . . . . . 28 GLU H . 19257 1 53 . 1 1 28 28 GLU C C 13 176.8245 . . . . . . . 28 GLU C . 19257 1 54 . 1 1 28 28 GLU CA C 13 56.9794 . . . . . . . 28 GLU CA . 19257 1 55 . 1 1 28 28 GLU CB C 13 29.9328 . . . . . . . 28 GLU CB . 19257 1 56 . 1 1 28 28 GLU N N 15 120.5192667 . . . . . . . 28 GLU N . 19257 1 57 . 1 1 29 29 ALA H H 1 8.357366667 . . . . . . . 29 ALA H . 19257 1 58 . 1 1 29 29 ALA C C 13 177.8023 . . . . . . . 29 ALA C . 19257 1 59 . 1 1 29 29 ALA N N 15 124.8480667 . . . . . . . 29 ALA N . 19257 1 60 . 1 1 30 30 ALA H H 1 8.4124 . . . . . . . 30 ALA H . 19257 1 61 . 1 1 30 30 ALA C C 13 178.5446 . . . . . . . 30 ALA C . 19257 1 62 . 1 1 30 30 ALA CA C 13 52.6875 . . . . . . . 30 ALA CA . 19257 1 63 . 1 1 30 30 ALA CB C 13 18.7445 . . . . . . . 30 ALA CB . 19257 1 64 . 1 1 30 30 ALA N N 15 123.6315 . . . . . . . 30 ALA N . 19257 1 65 . 1 1 31 31 GLY H H 1 8.3897 . . . . . . . 31 GLY H . 19257 1 66 . 1 1 31 31 GLY C C 13 174.1947 . . . . . . . 31 GLY C . 19257 1 67 . 1 1 31 31 GLY CA C 13 45.0054 . . . . . . . 31 GLY CA . 19257 1 68 . 1 1 31 31 GLY N N 15 107.8342 . . . . . . . 31 GLY N . 19257 1 69 . 1 1 32 32 LYS H H 1 8.1997 . . . . . . . 32 LYS H . 19257 1 70 . 1 1 32 32 LYS C C 13 177.0618 . . . . . . . 32 LYS C . 19257 1 71 . 1 1 32 32 LYS CA C 13 56.2091 . . . . . . . 32 LYS CA . 19257 1 72 . 1 1 32 32 LYS N N 15 120.82575 . . . . . . . 32 LYS N . 19257 1 73 . 1 1 33 33 THR H H 1 8.3291 . . . . . . . 33 THR H . 19257 1 74 . 1 1 33 33 THR C C 13 174.7066 . . . . . . . 33 THR C . 19257 1 75 . 1 1 33 33 THR N N 15 115.9642 . . . . . . . 33 THR N . 19257 1 76 . 1 1 34 34 LYS H H 1 8.5805 . . . . . . . 34 LYS H . 19257 1 77 . 1 1 34 34 LYS N N 15 123.9412 . . . . . . . 34 LYS N . 19257 1 78 . 1 1 36 36 GLY C C 13 174.0467 . . . . . . . 36 GLY C . 19257 1 79 . 1 1 37 37 VAL H H 1 8.0288 . . . . . . . 37 VAL H . 19257 1 80 . 1 1 37 37 VAL C C 13 176.0434 . . . . . . . 37 VAL C . 19257 1 81 . 1 1 37 37 VAL N N 15 119.8317 . . . . . . . 37 VAL N . 19257 1 82 . 1 1 38 38 LEU H H 1 8.4101 . . . . . . . 38 LEU H . 19257 1 83 . 1 1 38 38 LEU C C 13 176.7574 . . . . . . . 38 LEU C . 19257 1 84 . 1 1 38 38 LEU N N 15 125.821 . . . . . . . 38 LEU N . 19257 1 85 . 1 1 39 39 TYR H H 1 8.4034 . . . . . . . 39 TYR H . 19257 1 86 . 1 1 39 39 TYR C C 13 175.5719 . . . . . . . 39 TYR C . 19257 1 87 . 1 1 39 39 TYR CA C 13 57.8781 . . . . . . . 39 TYR CA . 19257 1 88 . 1 1 39 39 TYR N N 15 122.8586 . . . . . . . 39 TYR N . 19257 1 89 . 1 1 40 40 VAL H H 1 8.17705 . . . . . . . 40 VAL H . 19257 1 90 . 1 1 40 40 VAL C C 13 176.1141 . . . . . . . 40 VAL C . 19257 1 91 . 1 1 40 40 VAL N N 15 124.099 . . . . . . . 40 VAL N . 19257 1 92 . 1 1 41 41 GLY H H 1 8.1139 . . . . . . . 41 GLY H . 19257 1 93 . 1 1 41 41 GLY C C 13 173.931 . . . . . . . 41 GLY C . 19257 1 94 . 1 1 41 41 GLY N N 15 112.2814 . . . . . . . 41 GLY N . 19257 1 95 . 1 1 42 42 SER H H 1 8.3828 . . . . . . . 42 SER H . 19257 1 96 . 1 1 42 42 SER C C 13 174.8387 . . . . . . . 42 SER C . 19257 1 97 . 1 1 42 42 SER N N 15 115.6397 . . . . . . . 42 SER N . 19257 1 98 . 1 1 43 43 LYS H H 1 8.6208 . . . . . . . 43 LYS H . 19257 1 99 . 1 1 43 43 LYS C C 13 176.8867 . . . . . . . 43 LYS C . 19257 1 100 . 1 1 43 43 LYS N N 15 123.5468 . . . . . . . 43 LYS N . 19257 1 101 . 1 1 44 44 THR H H 1 8.2733 . . . . . . . 44 THR H . 19257 1 102 . 1 1 44 44 THR C C 13 174.6512 . . . . . . . 44 THR C . 19257 1 103 . 1 1 44 44 THR CB C 13 69.7851 . . . . . . . 44 THR CB . 19257 1 104 . 1 1 44 44 THR N N 15 115.6681 . . . . . . . 44 THR N . 19257 1 105 . 1 1 45 45 LYS H H 1 8.5498 . . . . . . . 45 LYS H . 19257 1 106 . 1 1 45 45 LYS N N 15 124.03695 . . . . . . . 45 LYS N . 19257 1 107 . 1 1 47 47 GLY C C 13 173.8171 . . . . . . . 47 GLY C . 19257 1 108 . 1 1 47 47 GLY CA C 13 45.0445 . . . . . . . 47 GLY CA . 19257 1 109 . 1 1 48 48 VAL H H 1 8.0179 . . . . . . . 48 VAL H . 19257 1 110 . 1 1 48 48 VAL C C 13 176.0747 . . . . . . . 48 VAL C . 19257 1 111 . 1 1 48 48 VAL N N 15 120.1904 . . . . . . . 48 VAL N . 19257 1 112 . 1 1 49 49 VAL H H 1 8.4259 . . . . . . . 49 VAL H . 19257 1 113 . 1 1 49 49 VAL C C 13 175.9439 . . . . . . . 49 VAL C . 19257 1 114 . 1 1 49 49 VAL N N 15 125.5266 . . . . . . . 49 VAL N . 19257 1 115 . 1 1 50 50 HIS H H 1 8.7424 . . . . . . . 50 HIS H . 19257 1 116 . 1 1 50 50 HIS C C 13 176.0003 . . . . . . . 50 HIS C . 19257 1 117 . 1 1 50 50 HIS N N 15 124.2854 . . . . . . . 50 HIS N . 19257 1 118 . 1 1 51 51 GLY H H 1 8.5311 . . . . . . . 51 GLY H . 19257 1 119 . 1 1 51 51 GLY C C 13 173.782 . . . . . . . 51 GLY C . 19257 1 120 . 1 1 51 51 GLY CA C 13 45.0694 . . . . . . . 51 GLY CA . 19257 1 121 . 1 1 51 51 GLY N N 15 110.7797 . . . . . . . 51 GLY N . 19257 1 122 . 1 1 52 52 VAL H H 1 8.179 . . . . . . . 52 VAL H . 19257 1 123 . 1 1 52 52 VAL C C 13 175.9668 . . . . . . . 52 VAL C . 19257 1 124 . 1 1 52 52 VAL CA C 13 62.2066 . . . . . . . 52 VAL CA . 19257 1 125 . 1 1 52 52 VAL CB C 13 32.7045 . . . . . . . 52 VAL CB . 19257 1 126 . 1 1 52 52 VAL N N 15 119.7647 . . . . . . . 52 VAL N . 19257 1 127 . 1 1 53 53 ALA H H 1 8.573366667 . . . . . . . 53 ALA H . 19257 1 128 . 1 1 53 53 ALA C C 13 177.907 . . . . . . . 53 ALA C . 19257 1 129 . 1 1 53 53 ALA CA C 13 52.3666 . . . . . . . 53 ALA CA . 19257 1 130 . 1 1 53 53 ALA CB C 13 19.0164 . . . . . . . 53 ALA CB . 19257 1 131 . 1 1 53 53 ALA N N 15 128.4562333 . . . . . . . 53 ALA N . 19257 1 132 . 1 1 54 54 THR H H 1 8.324166667 . . . . . . . 54 THR H . 19257 1 133 . 1 1 54 54 THR C C 13 174.4787 . . . . . . . 54 THR C . 19257 1 134 . 1 1 54 54 THR CA C 13 62.0581 . . . . . . . 54 THR CA . 19257 1 135 . 1 1 54 54 THR CB C 13 69.8798 . . . . . . . 54 THR CB . 19257 1 136 . 1 1 54 54 THR N N 15 115.2289333 . . . . . . . 54 THR N . 19257 1 137 . 1 1 55 55 VAL H H 1 8.416033333 . . . . . . . 55 VAL H . 19257 1 138 . 1 1 55 55 VAL C C 13 175.9446 . . . . . . . 55 VAL C . 19257 1 139 . 1 1 55 55 VAL N N 15 123.4311 . . . . . . . 55 VAL N . 19257 1 140 . 1 1 56 56 ALA H H 1 8.5427 . . . . . . . 56 ALA H . 19257 1 141 . 1 1 56 56 ALA C C 13 177.8917 . . . . . . . 56 ALA C . 19257 1 142 . 1 1 56 56 ALA CA C 13 52.5672 . . . . . . . 56 ALA CA . 19257 1 143 . 1 1 56 56 ALA CB C 13 18.9883 . . . . . . . 56 ALA CB . 19257 1 144 . 1 1 56 56 ALA N N 15 128.3034 . . . . . . . 56 ALA N . 19257 1 145 . 1 1 57 57 GLU H H 1 8.470866667 . . . . . . . 57 GLU H . 19257 1 146 . 1 1 57 57 GLU C C 13 176.7937 . . . . . . . 57 GLU C . 19257 1 147 . 1 1 57 57 GLU N N 15 120.9173 . . . . . . . 57 GLU N . 19257 1 148 . 1 1 58 58 LYS H H 1 8.5609 . . . . . . . 58 LYS H . 19257 1 149 . 1 1 58 58 LYS C C 13 177.0368 . . . . . . . 58 LYS C . 19257 1 150 . 1 1 58 58 LYS CA C 13 56.3159 . . . . . . . 58 LYS CA . 19257 1 151 . 1 1 58 58 LYS CB C 13 32.7735 . . . . . . . 58 LYS CB . 19257 1 152 . 1 1 58 58 LYS N N 15 123.183 . . . . . . . 58 LYS N . 19257 1 153 . 1 1 59 59 THR H H 1 8.310633333 . . . . . . . 59 THR H . 19257 1 154 . 1 1 59 59 THR C C 13 174.671 . . . . . . . 59 THR C . 19257 1 155 . 1 1 59 59 THR CA C 13 62.2208 . . . . . . . 59 THR CA . 19257 1 156 . 1 1 59 59 THR CB C 13 69.7385 . . . . . . . 59 THR CB . 19257 1 157 . 1 1 59 59 THR N N 15 116.1111333 . . . . . . . 59 THR N . 19257 1 158 . 1 1 60 60 LYS H H 1 8.5039 . . . . . . . 60 LYS H . 19257 1 159 . 1 1 60 60 LYS N N 15 123.9648667 . . . . . . . 60 LYS N . 19257 1 160 . 1 1 62 62 GLN C C 13 176.0426 . . . . . . . 62 GLN C . 19257 1 161 . 1 1 62 62 GLN CA C 13 55.6457 . . . . . . . 62 GLN CA . 19257 1 162 . 1 1 62 62 GLN CB C 13 29.3749 . . . . . . . 62 GLN CB . 19257 1 163 . 1 1 63 63 VAL H H 1 8.3898 . . . . . . . 63 VAL H . 19257 1 164 . 1 1 63 63 VAL C C 13 176.4184 . . . . . . . 63 VAL C . 19257 1 165 . 1 1 63 63 VAL CA C 13 62.292 . . . . . . . 63 VAL CA . 19257 1 166 . 1 1 63 63 VAL CB C 13 32.679 . . . . . . . 63 VAL CB . 19257 1 167 . 1 1 63 63 VAL N N 15 122.3810667 . . . . . . . 63 VAL N . 19257 1 168 . 1 1 64 64 THR H H 1 8.3966 . . . . . . . 64 THR H . 19257 1 169 . 1 1 64 64 THR CA C 13 61.7311 . . . . . . . 64 THR CA . 19257 1 170 . 1 1 64 64 THR CB C 13 69.8765 . . . . . . . 64 THR CB . 19257 1 171 . 1 1 64 64 THR N N 15 118.2703667 . . . . . . . 64 THR N . 19257 1 172 . 1 1 65 65 ASN H H 1 8.58485 . . . . . . . 65 ASN H . 19257 1 173 . 1 1 65 65 ASN C C 13 175.3147 . . . . . . . 65 ASN C . 19257 1 174 . 1 1 65 65 ASN CA C 13 52.9832 . . . . . . . 65 ASN CA . 19257 1 175 . 1 1 65 65 ASN CB C 13 38.6983 . . . . . . . 65 ASN CB . 19257 1 176 . 1 1 65 65 ASN N N 15 122.0809 . . . . . . . 65 ASN N . 19257 1 177 . 1 1 66 66 VAL H H 1 8.333033333 . . . . . . . 66 VAL H . 19257 1 178 . 1 1 66 66 VAL C C 13 176.9399 . . . . . . . 66 VAL C . 19257 1 179 . 1 1 66 66 VAL CA C 13 62.6985 . . . . . . . 66 VAL CA . 19257 1 180 . 1 1 66 66 VAL CB C 13 32.3423 . . . . . . . 66 VAL CB . 19257 1 181 . 1 1 66 66 VAL N N 15 120.9433 . . . . . . . 66 VAL N . 19257 1 182 . 1 1 67 67 GLY H H 1 8.656 . . . . . . . 67 GLY H . 19257 1 183 . 1 1 67 67 GLY C C 13 174.6933 . . . . . . . 67 GLY C . 19257 1 184 . 1 1 67 67 GLY CA C 13 45.2503 . . . . . . . 67 GLY CA . 19257 1 185 . 1 1 67 67 GLY N N 15 112.8143333 . . . . . . . 67 GLY N . 19257 1 186 . 1 1 68 68 GLY H H 1 8.31825 . . . . . . . 68 GLY H . 19257 1 187 . 1 1 68 68 GLY C C 13 173.7256 . . . . . . . 68 GLY C . 19257 1 188 . 1 1 68 68 GLY CA C 13 44.9574 . . . . . . . 68 GLY CA . 19257 1 189 . 1 1 68 68 GLY N N 15 108.93895 . . . . . . . 68 GLY N . 19257 1 190 . 1 1 69 69 ALA H H 1 8.25215 . . . . . . . 69 ALA H . 19257 1 191 . 1 1 69 69 ALA C C 13 177.696 . . . . . . . 69 ALA C . 19257 1 192 . 1 1 69 69 ALA CA C 13 52.332 . . . . . . . 69 ALA CA . 19257 1 193 . 1 1 69 69 ALA CB C 13 19.1309 . . . . . . . 69 ALA CB . 19257 1 194 . 1 1 69 69 ALA N N 15 123.82875 . . . . . . . 69 ALA N . 19257 1 195 . 1 1 70 70 VAL H H 1 8.308866667 . . . . . . . 70 VAL H . 19257 1 196 . 1 1 70 70 VAL C C 13 176.3854 . . . . . . . 70 VAL C . 19257 1 197 . 1 1 70 70 VAL CA C 13 62.4658 . . . . . . . 70 VAL CA . 19257 1 198 . 1 1 70 70 VAL CB C 13 32.4401 . . . . . . . 70 VAL CB . 19257 1 199 . 1 1 70 70 VAL N N 15 120.6807667 . . . . . . . 70 VAL N . 19257 1 200 . 1 1 71 71 VAL H H 1 8.496733333 . . . . . . . 71 VAL H . 19257 1 201 . 1 1 71 71 VAL C C 13 176.3363 . . . . . . . 71 VAL C . 19257 1 202 . 1 1 71 71 VAL CA C 13 62.2009 . . . . . . . 71 VAL CA . 19257 1 203 . 1 1 71 71 VAL CB C 13 32.679 . . . . . . . 71 VAL CB . 19257 1 204 . 1 1 71 71 VAL N N 15 125.7486 . . . . . . . 71 VAL N . 19257 1 205 . 1 1 72 72 THR H H 1 8.414766667 . . . . . . . 72 THR H . 19257 1 206 . 1 1 72 72 THR C C 13 174.9264 . . . . . . . 72 THR C . 19257 1 207 . 1 1 72 72 THR CA C 13 61.9584 . . . . . . . 72 THR CA . 19257 1 208 . 1 1 72 72 THR CB C 13 69.8697 . . . . . . . 72 THR CB . 19257 1 209 . 1 1 72 72 THR N N 15 118.8107667 . . . . . . . 72 THR N . 19257 1 210 . 1 1 73 73 GLY H H 1 8.537666667 . . . . . . . 73 GLY H . 19257 1 211 . 1 1 73 73 GLY C C 13 174.0088 . . . . . . . 73 GLY C . 19257 1 212 . 1 1 73 73 GLY CA C 13 45.0528 . . . . . . . 73 GLY CA . 19257 1 213 . 1 1 73 73 GLY N N 15 111.4977333 . . . . . . . 73 GLY N . 19257 1 214 . 1 1 74 74 VAL H H 1 8.1784 . . . . . . . 74 VAL H . 19257 1 215 . 1 1 74 74 VAL C C 13 176.6094 . . . . . . . 74 VAL C . 19257 1 216 . 1 1 74 74 VAL CA C 13 62.2171 . . . . . . . 74 VAL CA . 19257 1 217 . 1 1 74 74 VAL CB C 13 32.6083 . . . . . . . 74 VAL CB . 19257 1 218 . 1 1 74 74 VAL N N 15 119.6833 . . . . . . . 74 VAL N . 19257 1 219 . 1 1 75 75 THR H H 1 8.4097 . . . . . . . 75 THR H . 19257 1 220 . 1 1 75 75 THR C C 13 174.0937 . . . . . . . 75 THR C . 19257 1 221 . 1 1 75 75 THR CA C 13 61.9957 . . . . . . . 75 THR CA . 19257 1 222 . 1 1 75 75 THR CB C 13 69.6346 . . . . . . . 75 THR CB . 19257 1 223 . 1 1 75 75 THR N N 15 119.3015333 . . . . . . . 75 THR N . 19257 1 224 . 1 1 76 76 ALA H H 1 8.474033333 . . . . . . . 76 ALA H . 19257 1 225 . 1 1 76 76 ALA C C 13 177.6492 . . . . . . . 76 ALA C . 19257 1 226 . 1 1 76 76 ALA CA C 13 52.3546 . . . . . . . 76 ALA CA . 19257 1 227 . 1 1 76 76 ALA CB C 13 19.03 . . . . . . . 76 ALA CB . 19257 1 228 . 1 1 76 76 ALA N N 15 127.6704333 . . . . . . . 76 ALA N . 19257 1 229 . 1 1 77 77 VAL H H 1 8.268166667 . . . . . . . 77 VAL H . 19257 1 230 . 1 1 77 77 VAL C C 13 176.0803 . . . . . . . 77 VAL C . 19257 1 231 . 1 1 77 77 VAL N N 15 120.5144333 . . . . . . . 77 VAL N . 19257 1 232 . 1 1 78 78 ALA H H 1 8.5241 . . . . . . . 78 ALA H . 19257 1 233 . 1 1 78 78 ALA C C 13 178.3318 . . . . . . . 78 ALA C . 19257 1 234 . 1 1 78 78 ALA CA C 13 52.5858 . . . . . . . 78 ALA CA . 19257 1 235 . 1 1 78 78 ALA CB C 13 18.8076 . . . . . . . 78 ALA CB . 19257 1 236 . 1 1 78 78 ALA N N 15 128.2903 . . . . . . . 78 ALA N . 19257 1 237 . 1 1 79 79 GLN H H 1 8.479533333 . . . . . . . 79 GLN H . 19257 1 238 . 1 1 79 79 GLN C C 13 176.0197 . . . . . . . 79 GLN C . 19257 1 239 . 1 1 79 79 GLN CA C 13 55.685 . . . . . . . 79 GLN CA . 19257 1 240 . 1 1 79 79 GLN CB C 13 29.552 . . . . . . . 79 GLN CB . 19257 1 241 . 1 1 79 79 GLN N N 15 120.6024667 . . . . . . . 79 GLN N . 19257 1 242 . 1 1 80 80 LYS H H 1 8.5243 . . . . . . . 80 LYS H . 19257 1 243 . 1 1 80 80 LYS C C 13 176.7674 . . . . . . . 80 LYS C . 19257 1 244 . 1 1 80 80 LYS CA C 13 56.3771 . . . . . . . 80 LYS CA . 19257 1 245 . 1 1 80 80 LYS CB C 13 32.9595 . . . . . . . 80 LYS CB . 19257 1 246 . 1 1 80 80 LYS N N 15 123.4955667 . . . . . . . 80 LYS N . 19257 1 247 . 1 1 81 81 THR H H 1 8.380966667 . . . . . . . 81 THR H . 19257 1 248 . 1 1 81 81 THR C C 13 174.514 . . . . . . . 81 THR C . 19257 1 249 . 1 1 81 81 THR CA C 13 61.9878 . . . . . . . 81 THR CA . 19257 1 250 . 1 1 81 81 THR CB C 13 69.8452 . . . . . . . 81 THR CB . 19257 1 251 . 1 1 81 81 THR N N 15 117.1414 . . . . . . . 81 THR N . 19257 1 252 . 1 1 82 82 VAL H H 1 8.366733333 . . . . . . . 82 VAL H . 19257 1 253 . 1 1 82 82 VAL C C 13 176.2192 . . . . . . . 82 VAL C . 19257 1 254 . 1 1 82 82 VAL CA C 13 62.2372 . . . . . . . 82 VAL CA . 19257 1 255 . 1 1 82 82 VAL CB C 13 32.6626 . . . . . . . 82 VAL CB . 19257 1 256 . 1 1 82 82 VAL N N 15 123.3859667 . . . . . . . 82 VAL N . 19257 1 257 . 1 1 83 83 GLU H H 1 8.6642 . . . . . . . 83 GLU H . 19257 1 258 . 1 1 83 83 GLU C C 13 177.0736 . . . . . . . 83 GLU C . 19257 1 259 . 1 1 83 83 GLU CA C 13 56.7545 . . . . . . . 83 GLU CA . 19257 1 260 . 1 1 83 83 GLU CB C 13 30.0928 . . . . . . . 83 GLU CB . 19257 1 261 . 1 1 83 83 GLU N N 15 125.5624333 . . . . . . . 83 GLU N . 19257 1 262 . 1 1 84 84 GLY H H 1 8.6184 . . . . . . . 84 GLY H . 19257 1 263 . 1 1 84 84 GLY C C 13 174.1688 . . . . . . . 84 GLY C . 19257 1 264 . 1 1 84 84 GLY CA C 13 45.0473 . . . . . . . 84 GLY CA . 19257 1 265 . 1 1 84 84 GLY N N 15 110.8148333 . . . . . . . 84 GLY N . 19257 1 266 . 1 1 85 85 ALA H H 1 8.3463 . . . . . . . 85 ALA H . 19257 1 267 . 1 1 85 85 ALA C C 13 178.5771 . . . . . . . 85 ALA C . 19257 1 268 . 1 1 85 85 ALA CA C 13 52.9043 . . . . . . . 85 ALA CA . 19257 1 269 . 1 1 85 85 ALA CB C 13 18.9894 . . . . . . . 85 ALA CB . 19257 1 270 . 1 1 85 85 ALA N N 15 123.9866 . . . . . . . 85 ALA N . 19257 1 271 . 1 1 86 86 GLY H H 1 8.586166667 . . . . . . . 86 GLY H . 19257 1 272 . 1 1 86 86 GLY C C 13 174.3122 . . . . . . . 86 GLY C . 19257 1 273 . 1 1 86 86 GLY CA C 13 45.1539 . . . . . . . 86 GLY CA . 19257 1 274 . 1 1 86 86 GLY N N 15 108.3240667 . . . . . . . 86 GLY N . 19257 1 275 . 1 1 87 87 SER H H 1 8.22735 . . . . . . . 87 SER H . 19257 1 276 . 1 1 87 87 SER C C 13 175.8188 . . . . . . . 87 SER C . 19257 1 277 . 1 1 87 87 SER N N 15 115.84695 . . . . . . . 87 SER N . 19257 1 278 . 1 1 88 88 ILE H H 1 8.3316 . . . . . . . 88 ILE H . 19257 1 279 . 1 1 88 88 ILE C C 13 176.3549 . . . . . . . 88 ILE C . 19257 1 280 . 1 1 88 88 ILE CA C 13 61.2324 . . . . . . . 88 ILE CA . 19257 1 281 . 1 1 88 88 ILE CB C 13 38.4381 . . . . . . . 88 ILE CB . 19257 1 282 . 1 1 88 88 ILE N N 15 123.357 . . . . . . . 88 ILE N . 19257 1 283 . 1 1 89 89 ALA H H 1 8.439733333 . . . . . . . 89 ALA H . 19257 1 284 . 1 1 89 89 ALA C C 13 177.6554 . . . . . . . 89 ALA C . 19257 1 285 . 1 1 89 89 ALA N N 15 128.3162 . . . . . . . 89 ALA N . 19257 1 286 . 1 1 90 90 ALA H H 1 8.3249 . . . . . . . 90 ALA H . 19257 1 287 . 1 1 90 90 ALA C C 13 177.8023 . . . . . . . 90 ALA C . 19257 1 288 . 1 1 90 90 ALA N N 15 123.4948 . . . . . . . 90 ALA N . 19257 1 289 . 1 1 91 91 ALA H H 1 8.373 . . . . . . . 91 ALA H . 19257 1 290 . 1 1 91 91 ALA C C 13 178.1962 . . . . . . . 91 ALA C . 19257 1 291 . 1 1 91 91 ALA CA C 13 52.4142 . . . . . . . 91 ALA CA . 19257 1 292 . 1 1 91 91 ALA CB C 13 18.9828 . . . . . . . 91 ALA CB . 19257 1 293 . 1 1 91 91 ALA N N 15 123.4422 . . . . . . . 91 ALA N . 19257 1 294 . 1 1 92 92 THR H H 1 8.192833333 . . . . . . . 92 THR H . 19257 1 295 . 1 1 92 92 THR C C 13 175.1995 . . . . . . . 92 THR C . 19257 1 296 . 1 1 92 92 THR CA C 13 62.0157 . . . . . . . 92 THR CA . 19257 1 297 . 1 1 92 92 THR CB C 13 69.6222 . . . . . . . 92 THR CB . 19257 1 298 . 1 1 92 92 THR N N 15 112.8321667 . . . . . . . 92 THR N . 19257 1 299 . 1 1 93 93 GLY H H 1 8.396633333 . . . . . . . 93 GLY H . 19257 1 300 . 1 1 93 93 GLY C C 13 173.6075 . . . . . . . 93 GLY C . 19257 1 301 . 1 1 93 93 GLY N N 15 110.8251 . . . . . . . 93 GLY N . 19257 1 302 . 1 1 94 94 PHE H H 1 8.1888 . . . . . . . 94 PHE H . 19257 1 303 . 1 1 94 94 PHE C C 13 175.5258 . . . . . . . 94 PHE C . 19257 1 304 . 1 1 94 94 PHE CA C 13 57.8082 . . . . . . . 94 PHE CA . 19257 1 305 . 1 1 94 94 PHE N N 15 120.5002 . . . . . . . 94 PHE N . 19257 1 306 . 1 1 95 95 VAL H H 1 8.1558 . . . . . . . 95 VAL H . 19257 1 307 . 1 1 95 95 VAL C C 13 175.4145 . . . . . . . 95 VAL C . 19257 1 308 . 1 1 95 95 VAL CB C 13 32.8724 . . . . . . . 95 VAL CB . 19257 1 309 . 1 1 95 95 VAL N N 15 124.19025 . . . . . . . 95 VAL N . 19257 1 310 . 1 1 96 96 LYS H H 1 8.50025 . . . . . . . 96 LYS H . 19257 1 311 . 1 1 96 96 LYS C C 13 176.5746 . . . . . . . 96 LYS C . 19257 1 312 . 1 1 96 96 LYS N N 15 126.7199 . . . . . . . 96 LYS N . 19257 1 313 . 1 1 97 97 LYS H H 1 8.5755 . . . . . . . 97 LYS H . 19257 1 314 . 1 1 97 97 LYS C C 13 176.4425 . . . . . . . 97 LYS C . 19257 1 315 . 1 1 97 97 LYS CA C 13 56.2262 . . . . . . . 97 LYS CA . 19257 1 316 . 1 1 97 97 LYS CB C 13 33.0284 . . . . . . . 97 LYS CB . 19257 1 317 . 1 1 97 97 LYS N N 15 123.7483 . . . . . . . 97 LYS N . 19257 1 318 . 1 1 98 98 ASP H H 1 8.476866667 . . . . . . . 98 ASP H . 19257 1 319 . 1 1 98 98 ASP C C 13 176.2596 . . . . . . . 98 ASP C . 19257 1 320 . 1 1 98 98 ASP CA C 13 54.3066 . . . . . . . 98 ASP CA . 19257 1 321 . 1 1 98 98 ASP CB C 13 40.886 . . . . . . . 98 ASP CB . 19257 1 322 . 1 1 98 98 ASP N N 15 121.5689 . . . . . . . 98 ASP N . 19257 1 323 . 1 1 99 99 GLN H H 1 8.426666667 . . . . . . . 99 GLN H . 19257 1 324 . 1 1 99 99 GLN C C 13 176.1086 . . . . . . . 99 GLN C . 19257 1 325 . 1 1 99 99 GLN CA C 13 55.6705 . . . . . . . 99 GLN CA . 19257 1 326 . 1 1 99 99 GLN CB C 13 29.1346 . . . . . . . 99 GLN CB . 19257 1 327 . 1 1 99 99 GLN N N 15 120.3586333 . . . . . . . 99 GLN N . 19257 1 328 . 1 1 100 100 LEU H H 1 8.3787 . . . . . . . 100 LEU H . 19257 1 329 . 1 1 100 100 LEU C C 13 178.0655 . . . . . . . 100 LEU C . 19257 1 330 . 1 1 100 100 LEU CA C 13 55.3511 . . . . . . . 100 LEU CA . 19257 1 331 . 1 1 100 100 LEU CB C 13 42.0254 . . . . . . . 100 LEU CB . 19257 1 332 . 1 1 100 100 LEU N N 15 122.9574 . . . . . . . 100 LEU N . 19257 1 333 . 1 1 101 101 GLY H H 1 8.573366667 . . . . . . . 101 GLY H . 19257 1 334 . 1 1 101 101 GLY C C 13 174.138 . . . . . . . 101 GLY C . 19257 1 335 . 1 1 101 101 GLY CA C 13 45.2241 . . . . . . . 101 GLY CA . 19257 1 336 . 1 1 101 101 GLY N N 15 109.9449 . . . . . . . 101 GLY N . 19257 1 337 . 1 1 102 102 LYS H H 1 8.30235 . . . . . . . 102 LYS H . 19257 1 338 . 1 1 102 102 LYS C C 13 176.5566 . . . . . . . 102 LYS C . 19257 1 339 . 1 1 102 102 LYS CA C 13 56.2029 . . . . . . . 102 LYS CA . 19257 1 340 . 1 1 102 102 LYS CB C 13 32.9401 . . . . . . . 102 LYS CB . 19257 1 341 . 1 1 102 102 LYS N N 15 120.88705 . . . . . . . 102 LYS N . 19257 1 342 . 1 1 103 103 ASN H H 1 8.711033333 . . . . . . . 103 ASN H . 19257 1 343 . 1 1 103 103 ASN C C 13 175.355 . . . . . . . 103 ASN C . 19257 1 344 . 1 1 103 103 ASN CA C 13 53.22 . . . . . . . 103 ASN CA . 19257 1 345 . 1 1 103 103 ASN CB C 13 38.6663 . . . . . . . 103 ASN CB . 19257 1 346 . 1 1 103 103 ASN N N 15 119.9547667 . . . . . . . 103 ASN N . 19257 1 347 . 1 1 104 104 GLU H H 1 8.5357 . . . . . . . 104 GLU H . 19257 1 348 . 1 1 104 104 GLU N N 15 121.5204333 . . . . . . . 104 GLU N . 19257 1 349 . 1 1 106 106 GLY C C 13 173.4411 . . . . . . . 106 GLY C . 19257 1 350 . 1 1 106 106 GLY CA C 13 44.8499 . . . . . . . 106 GLY CA . 19257 1 351 . 1 1 107 107 ALA H H 1 8.21 . . . . . . . 107 ALA H . 19257 1 352 . 1 1 107 107 ALA N N 15 125.0209 . . . . . . . 107 ALA N . 19257 1 353 . 1 1 108 108 PRO C C 13 177.0752 . . . . . . . 108 PRO C . 19257 1 354 . 1 1 108 108 PRO CA C 13 63.0479 . . . . . . . 108 PRO CA . 19257 1 355 . 1 1 108 108 PRO CB C 13 32.0841 . . . . . . . 108 PRO CB . 19257 1 356 . 1 1 109 109 GLN H H 1 8.6973 . . . . . . . 109 GLN H . 19257 1 357 . 1 1 109 109 GLN C C 13 176.0298 . . . . . . . 109 GLN C . 19257 1 358 . 1 1 109 109 GLN CA C 13 55.6541 . . . . . . . 109 GLN CA . 19257 1 359 . 1 1 109 109 GLN CB C 13 29.4222 . . . . . . . 109 GLN CB . 19257 1 360 . 1 1 109 109 GLN N N 15 121.4184333 . . . . . . . 109 GLN N . 19257 1 361 . 1 1 110 110 GLU H H 1 8.621766667 . . . . . . . 110 GLU H . 19257 1 362 . 1 1 110 110 GLU C C 13 176.8842 . . . . . . . 110 GLU C . 19257 1 363 . 1 1 110 110 GLU CA C 13 56.7879 . . . . . . . 110 GLU CA . 19257 1 364 . 1 1 110 110 GLU CB C 13 30.1835 . . . . . . . 110 GLU CB . 19257 1 365 . 1 1 110 110 GLU N N 15 122.7642 . . . . . . . 110 GLU N . 19257 1 366 . 1 1 111 111 GLY H H 1 8.570466667 . . . . . . . 111 GLY H . 19257 1 367 . 1 1 111 111 GLY C C 13 173.7859 . . . . . . . 111 GLY C . 19257 1 368 . 1 1 111 111 GLY N N 15 110.5037333 . . . . . . . 111 GLY N . 19257 1 369 . 1 1 112 112 ILE H H 1 8.0956 . . . . . . . 112 ILE H . 19257 1 370 . 1 1 112 112 ILE C C 13 176.351 . . . . . . . 112 ILE C . 19257 1 371 . 1 1 112 112 ILE CA C 13 60.8636 . . . . . . . 112 ILE CA . 19257 1 372 . 1 1 112 112 ILE CB C 13 38.4083 . . . . . . . 112 ILE CB . 19257 1 373 . 1 1 112 112 ILE N N 15 120.2833 . . . . . . . 112 ILE N . 19257 1 374 . 1 1 113 113 LEU H H 1 8.5022 . . . . . . . 113 LEU H . 19257 1 375 . 1 1 113 113 LEU C C 13 177.2317 . . . . . . . 113 LEU C . 19257 1 376 . 1 1 113 113 LEU CA C 13 54.9949 . . . . . . . 113 LEU CA . 19257 1 377 . 1 1 113 113 LEU CB C 13 42.1322 . . . . . . . 113 LEU CB . 19257 1 378 . 1 1 113 113 LEU N N 15 127.2565 . . . . . . . 113 LEU N . 19257 1 379 . 1 1 114 114 GLU H H 1 8.511 . . . . . . . 114 GLU H . 19257 1 380 . 1 1 114 114 GLU C C 13 175.9242 . . . . . . . 114 GLU C . 19257 1 381 . 1 1 114 114 GLU CA C 13 56.5007 . . . . . . . 114 GLU CA . 19257 1 382 . 1 1 114 114 GLU CB C 13 30.2137 . . . . . . . 114 GLU CB . 19257 1 383 . 1 1 114 114 GLU N N 15 122.4398667 . . . . . . . 114 GLU N . 19257 1 384 . 1 1 115 115 ASP H H 1 8.4429 . . . . . . . 115 ASP H . 19257 1 385 . 1 1 115 115 ASP C C 13 175.8256 . . . . . . . 115 ASP C . 19257 1 386 . 1 1 115 115 ASP CA C 13 54.254 . . . . . . . 115 ASP CA . 19257 1 387 . 1 1 115 115 ASP CB C 13 40.91 . . . . . . . 115 ASP CB . 19257 1 388 . 1 1 115 115 ASP N N 15 121.6160333 . . . . . . . 115 ASP N . 19257 1 389 . 1 1 116 116 MET H H 1 8.339033333 . . . . . . . 116 MET H . 19257 1 390 . 1 1 116 116 MET N N 15 122.1552 . . . . . . . 116 MET N . 19257 1 391 . 1 1 117 117 PRO C C 13 176.744 . . . . . . . 117 PRO C . 19257 1 392 . 1 1 117 117 PRO CA C 13 62.7974 . . . . . . . 117 PRO CA . 19257 1 393 . 1 1 117 117 PRO CB C 13 31.9178 . . . . . . . 117 PRO CB . 19257 1 394 . 1 1 118 118 VAL H H 1 8.413366667 . . . . . . . 118 VAL H . 19257 1 395 . 1 1 118 118 VAL C C 13 175.8038 . . . . . . . 118 VAL C . 19257 1 396 . 1 1 118 118 VAL CA C 13 61.9586 . . . . . . . 118 VAL CA . 19257 1 397 . 1 1 118 118 VAL CB C 13 32.9393 . . . . . . . 118 VAL CB . 19257 1 398 . 1 1 118 118 VAL N N 15 121.154 . . . . . . . 118 VAL N . 19257 1 399 . 1 1 119 119 ASP H H 1 8.6316 . . . . . . . 119 ASP H . 19257 1 400 . 1 1 119 119 ASP N N 15 126.2918 . . . . . . . 119 ASP N . 19257 1 401 . 1 1 120 120 PRO C C 13 176.9579 . . . . . . . 120 PRO C . 19257 1 402 . 1 1 120 120 PRO CA C 13 63.3661 . . . . . . . 120 PRO CA . 19257 1 403 . 1 1 120 120 PRO CB C 13 32.1388 . . . . . . . 120 PRO CB . 19257 1 404 . 1 1 121 121 ASP H H 1 8.445733333 . . . . . . . 121 ASP H . 19257 1 405 . 1 1 121 121 ASP C C 13 176.181 . . . . . . . 121 ASP C . 19257 1 406 . 1 1 121 121 ASP CA C 13 54.5137 . . . . . . . 121 ASP CA . 19257 1 407 . 1 1 121 121 ASP CB C 13 40.7267 . . . . . . . 121 ASP CB . 19257 1 408 . 1 1 121 121 ASP N N 15 119.2812667 . . . . . . . 121 ASP N . 19257 1 409 . 1 1 122 122 ASN H H 1 8.1453 . . . . . . . 122 ASN H . 19257 1 410 . 1 1 122 122 ASN C C 13 175.4503 . . . . . . . 122 ASN C . 19257 1 411 . 1 1 122 122 ASN CA C 13 53.4417 . . . . . . . 122 ASN CA . 19257 1 412 . 1 1 122 122 ASN CB C 13 39.1489 . . . . . . . 122 ASN CB . 19257 1 413 . 1 1 122 122 ASN N N 15 119.1432667 . . . . . . . 122 ASN N . 19257 1 414 . 1 1 123 123 GLU H H 1 8.457133333 . . . . . . . 123 GLU H . 19257 1 415 . 1 1 123 123 GLU C C 13 176.1385 . . . . . . . 123 GLU C . 19257 1 416 . 1 1 123 123 GLU CA C 13 56.767 . . . . . . . 123 GLU CA . 19257 1 417 . 1 1 123 123 GLU CB C 13 29.9379 . . . . . . . 123 GLU CB . 19257 1 418 . 1 1 123 123 GLU N N 15 121.9717 . . . . . . . 123 GLU N . 19257 1 419 . 1 1 124 124 ALA H H 1 8.319866667 . . . . . . . 124 ALA H . 19257 1 420 . 1 1 124 124 ALA C C 13 177.2793 . . . . . . . 124 ALA C . 19257 1 421 . 1 1 124 124 ALA N N 15 124.5139 . . . . . . . 124 ALA N . 19257 1 422 . 1 1 125 125 TYR H H 1 8.1224 . . . . . . . 125 TYR H . 19257 1 423 . 1 1 125 125 TYR C C 13 175.3495 . . . . . . . 125 TYR C . 19257 1 424 . 1 1 125 125 TYR CA C 13 57.8781 . . . . . . . 125 TYR CA . 19257 1 425 . 1 1 125 125 TYR CB C 13 38.9431 . . . . . . . 125 TYR CB . 19257 1 426 . 1 1 125 125 TYR N N 15 120.1336 . . . . . . . 125 TYR N . 19257 1 427 . 1 1 126 126 GLU H H 1 8.205633333 . . . . . . . 126 GLU H . 19257 1 428 . 1 1 126 126 GLU C C 13 175.3816 . . . . . . . 126 GLU C . 19257 1 429 . 1 1 126 126 GLU CA C 13 55.2793 . . . . . . . 126 GLU CA . 19257 1 430 . 1 1 126 126 GLU CB C 13 30.7377 . . . . . . . 126 GLU CB . 19257 1 431 . 1 1 126 126 GLU N N 15 124.2289333 . . . . . . . 126 GLU N . 19257 1 432 . 1 1 127 127 MET H H 1 8.524533333 . . . . . . . 127 MET H . 19257 1 433 . 1 1 127 127 MET N N 15 124.1439333 . . . . . . . 127 MET N . 19257 1 434 . 1 1 128 128 PRO C C 13 176.9092 . . . . . . . 128 PRO C . 19257 1 435 . 1 1 128 128 PRO CA C 13 63.0384 . . . . . . . 128 PRO CA . 19257 1 436 . 1 1 128 128 PRO CB C 13 32.1098 . . . . . . . 128 PRO CB . 19257 1 437 . 1 1 129 129 SER H H 1 8.6077 . . . . . . . 129 SER H . 19257 1 438 . 1 1 129 129 SER C C 13 174.8551 . . . . . . . 129 SER C . 19257 1 439 . 1 1 129 129 SER CA C 13 58.1464 . . . . . . . 129 SER CA . 19257 1 440 . 1 1 129 129 SER CB C 13 63.8396 . . . . . . . 129 SER CB . 19257 1 441 . 1 1 129 129 SER N N 15 117.0472 . . . . . . . 129 SER N . 19257 1 442 . 1 1 130 130 GLU H H 1 8.6836 . . . . . . . 130 GLU H . 19257 1 443 . 1 1 130 130 GLU N N 15 123.312 . . . . . . . 130 GLU N . 19257 1 444 . 1 1 132 132 GLY C C 13 173.8019 . . . . . . . 132 GLY C . 19257 1 445 . 1 1 133 133 TYR H H 1 8.138 . . . . . . . 133 TYR H . 19257 1 446 . 1 1 133 133 TYR C C 13 174.7567 . . . . . . . 133 TYR C . 19257 1 447 . 1 1 133 133 TYR N N 15 120.2396 . . . . . . . 133 TYR N . 19257 1 448 . 1 1 134 134 GLN H H 1 8.2985 . . . . . . . 134 GLN H . 19257 1 449 . 1 1 134 134 GLN C C 13 174.852 . . . . . . . 134 GLN C . 19257 1 450 . 1 1 134 134 GLN CA C 13 55.4034 . . . . . . . 134 GLN CA . 19257 1 451 . 1 1 134 134 GLN CB C 13 29.6503 . . . . . . . 134 GLN CB . 19257 1 452 . 1 1 134 134 GLN N N 15 122.9788 . . . . . . . 134 GLN N . 19257 1 453 . 1 1 135 135 ASP H H 1 8.335566667 . . . . . . . 135 ASP H . 19257 1 454 . 1 1 135 135 ASP C C 13 175.5746 . . . . . . . 135 ASP C . 19257 1 455 . 1 1 135 135 ASP CB C 13 40.8933 . . . . . . . 135 ASP CB . 19257 1 456 . 1 1 135 135 ASP N N 15 121.8087333 . . . . . . . 135 ASP N . 19257 1 457 . 1 1 136 136 TYR H H 1 8.1427 . . . . . . . 136 TYR H . 19257 1 458 . 1 1 136 136 TYR C C 13 175.1467 . . . . . . . 136 TYR C . 19257 1 459 . 1 1 136 136 TYR CA C 13 57.5712 . . . . . . . 136 TYR CA . 19257 1 460 . 1 1 136 136 TYR CB C 13 39.027 . . . . . . . 136 TYR CB . 19257 1 461 . 1 1 136 136 TYR N N 15 120.6925 . . . . . . . 136 TYR N . 19257 1 462 . 1 1 137 137 GLU H H 1 8.358166667 . . . . . . . 137 GLU H . 19257 1 463 . 1 1 137 137 GLU N N 15 125.6724667 . . . . . . . 137 GLU N . 19257 1 464 . 1 1 138 138 PRO C C 13 176.9014 . . . . . . . 138 PRO C . 19257 1 465 . 1 1 138 138 PRO CA C 13 63.0459 . . . . . . . 138 PRO CA . 19257 1 466 . 1 1 138 138 PRO CB C 13 31.8751 . . . . . . . 138 PRO CB . 19257 1 467 . 1 1 139 139 GLU H H 1 8.614866667 . . . . . . . 139 GLU H . 19257 1 468 . 1 1 139 139 GLU C C 13 175.447 . . . . . . . 139 GLU C . 19257 1 469 . 1 1 139 139 GLU CA C 13 56.4834 . . . . . . . 139 GLU CA . 19257 1 470 . 1 1 139 139 GLU CB C 13 30.2215 . . . . . . . 139 GLU CB . 19257 1 471 . 1 1 139 139 GLU N N 15 121.5444 . . . . . . . 139 GLU N . 19257 1 472 . 1 1 140 140 ALA H H 1 8.1026 . . . . . . . 140 ALA H . 19257 1 473 . 1 1 140 140 ALA N N 15 131.0915333 . . . . . . . 140 ALA N . 19257 1 stop_ save_