data_19345 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19345 _Entry.Title ; alpha synuclein mutant A53T & S87N in PBS - human/mouse chimera ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-09 _Entry.Accession_date 2013-07-09 _Entry.Last_release_date 2013-09-25 _Entry.Original_release_date 2013-09-25 _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 Jean Baum . . . 19345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 19345 '15N chemical shifts' 123 19345 '1H chemical shifts' 123 19345 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 . . 2013-09-25 2013-07-09 original author . 19345 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19337 'aSyn monomer' 19345 BMRB 19338 'aSyn A53T monomer' 19345 BMRB 19344 'aSyn S87N monomer' 19345 BMRB 19346 'aSyn mouse monomer' 19345 BMRB 19347 'aSyn mouse_T53A monomer' 19345 BMRB 19348 'aSyn mouse_N87S monomer' 19345 BMRB 19349 'aSyn mouse_N87S monomer' 19345 BMRB 19350 'acetylated aSyn monomer' 19345 BMRB 19351 'acetylated aSyn A53T monomer' 19345 stop_ save_ ############### # Citations # ############### save_aSyn_A53T-S87N_PBS _Citation.Sf_category citations _Citation.Sf_framecode aSyn_A53T-S87N_PBS _Citation.Entry_ID 19345 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24058647 _Citation.Full_citation . _Citation.Title 'Mechanistic Insight into the Relationship between N-Terminal Acetylation of -Synuclein and Fibril Formation Rates by NMR and Fluorescence.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 9 _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 e75018 _Citation.Page_last e75018 _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 Lijuan Kang . . . 19345 1 2 Maria Janowska . K. . 19345 1 3 Gina Moriarty . M. . 19345 1 4 Jean Baum . . . 19345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19345 _Assembly.ID 1 _Assembly.Name aSyn_A53T&S87N _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 aSyn_A53T&S87N 1 $aSyn_A53T-S87N A . yes native no no . . . 19345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aSyn_A53T-S87N _Entity.Sf_category entity _Entity.Sf_framecode aSyn_A53T-S87N _Entity.Entry_ID 19345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aSyn_A53T&S87N _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 GSKTKEGVVHGVTTVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGNIAAATGFVKKDQL 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 98.57 99.29 2.03e-88 . . . . 19345 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 3 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 97.86 98.57 1.88e-87 . . . . 19345 1 6 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 97.86 99.29 9.57e-88 . . . . 19345 1 7 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 100.00 2.85e-89 . . . . 19345 1 8 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 9 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 98.57 3.43e-87 . . . . 19345 1 10 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 97.86 98.57 1.88e-87 . . . . 19345 1 11 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 12 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 97.14 97.86 3.01e-86 . . . . 19345 1 13 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 6.25e-88 . . . . 19345 1 14 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 97.14 98.57 1.45e-86 . . . . 19345 1 15 no BMRB 17665 . aSyn . . . . . 100.00 150 98.57 99.29 8.33e-88 . . . . 19345 1 16 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 97.86 98.57 3.43e-87 . . . . 19345 1 17 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 6.25e-88 . . . . 19345 1 18 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 97.14 98.57 1.45e-86 . . . . 19345 1 19 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 97.86 98.57 3.43e-87 . . . . 19345 1 20 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 21 no BMRB 18860 . a-synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 22 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 23 no BMRB 19337 . aSyn . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 24 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 100.00 2.85e-89 . . . . 19345 1 25 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 99.29 3.32e-89 . . . . 19345 1 26 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 27 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 100.00 2.85e-89 . . . . 19345 1 28 no BMRB 25227 . aSyn-WT . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 29 no BMRB 25228 . H50Q . . . . . 100.00 140 97.86 98.57 2.82e-87 . . . . 19345 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 32 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 99.02 100.00 5.69e-58 . . . . 19345 1 33 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 34 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 35 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 36 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 37 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 38 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 97.14 97.86 8.13e-87 . . . . 19345 1 39 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 40 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 41 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 42 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 43 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 44 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 98.57 1.05e-86 . . . . 19345 1 45 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 97.86 98.57 3.67e-87 . . . . 19345 1 46 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 47 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 98.57 99.29 2.03e-88 . . . . 19345 1 48 no SP P61138 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.14 98.57 9.47e-87 . . . . 19345 1 49 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.86 99.29 5.03e-88 . . . . 19345 1 50 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 19345 1 51 no SP P61141 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.14 98.57 9.47e-87 . . . . 19345 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 . 19345 1 2 . ASP . 19345 1 3 . VAL . 19345 1 4 . PHE . 19345 1 5 . MET . 19345 1 6 . LYS . 19345 1 7 . GLY . 19345 1 8 . LEU . 19345 1 9 . SER . 19345 1 10 . LYS . 19345 1 11 . ALA . 19345 1 12 . LYS . 19345 1 13 . GLU . 19345 1 14 . GLY . 19345 1 15 . VAL . 19345 1 16 . VAL . 19345 1 17 . ALA . 19345 1 18 . ALA . 19345 1 19 . ALA . 19345 1 20 . GLU . 19345 1 21 . LYS . 19345 1 22 . THR . 19345 1 23 . LYS . 19345 1 24 . GLN . 19345 1 25 . GLY . 19345 1 26 . VAL . 19345 1 27 . ALA . 19345 1 28 . GLU . 19345 1 29 . ALA . 19345 1 30 . ALA . 19345 1 31 . GLY . 19345 1 32 . LYS . 19345 1 33 . THR . 19345 1 34 . LYS . 19345 1 35 . GLU . 19345 1 36 . GLY . 19345 1 37 . VAL . 19345 1 38 . LEU . 19345 1 39 . TYR . 19345 1 40 . VAL . 19345 1 41 . GLY . 19345 1 42 . SER . 19345 1 43 . LYS . 19345 1 44 . THR . 19345 1 45 . LYS . 19345 1 46 . GLU . 19345 1 47 . GLY . 19345 1 48 . VAL . 19345 1 49 . VAL . 19345 1 50 . HIS . 19345 1 51 . GLY . 19345 1 52 . VAL . 19345 1 53 . THR . 19345 1 54 . THR . 19345 1 55 . VAL . 19345 1 56 . ALA . 19345 1 57 . GLU . 19345 1 58 . LYS . 19345 1 59 . THR . 19345 1 60 . LYS . 19345 1 61 . GLU . 19345 1 62 . GLN . 19345 1 63 . VAL . 19345 1 64 . THR . 19345 1 65 . ASN . 19345 1 66 . VAL . 19345 1 67 . GLY . 19345 1 68 . GLY . 19345 1 69 . ALA . 19345 1 70 . VAL . 19345 1 71 . VAL . 19345 1 72 . THR . 19345 1 73 . GLY . 19345 1 74 . VAL . 19345 1 75 . THR . 19345 1 76 . ALA . 19345 1 77 . VAL . 19345 1 78 . ALA . 19345 1 79 . GLN . 19345 1 80 . LYS . 19345 1 81 . THR . 19345 1 82 . VAL . 19345 1 83 . GLU . 19345 1 84 . GLY . 19345 1 85 . ALA . 19345 1 86 . GLY . 19345 1 87 . ASN . 19345 1 88 . ILE . 19345 1 89 . ALA . 19345 1 90 . ALA . 19345 1 91 . ALA . 19345 1 92 . THR . 19345 1 93 . GLY . 19345 1 94 . PHE . 19345 1 95 . VAL . 19345 1 96 . LYS . 19345 1 97 . LYS . 19345 1 98 . ASP . 19345 1 99 . GLN . 19345 1 100 . LEU . 19345 1 101 . GLY . 19345 1 102 . LYS . 19345 1 103 . ASN . 19345 1 104 . GLU . 19345 1 105 . GLU . 19345 1 106 . GLY . 19345 1 107 . ALA . 19345 1 108 . PRO . 19345 1 109 . GLN . 19345 1 110 . GLU . 19345 1 111 . GLY . 19345 1 112 . ILE . 19345 1 113 . LEU . 19345 1 114 . GLU . 19345 1 115 . ASP . 19345 1 116 . MET . 19345 1 117 . PRO . 19345 1 118 . VAL . 19345 1 119 . ASP . 19345 1 120 . PRO . 19345 1 121 . ASP . 19345 1 122 . ASN . 19345 1 123 . GLU . 19345 1 124 . ALA . 19345 1 125 . TYR . 19345 1 126 . GLU . 19345 1 127 . MET . 19345 1 128 . PRO . 19345 1 129 . SER . 19345 1 130 . GLU . 19345 1 131 . GLU . 19345 1 132 . GLY . 19345 1 133 . TYR . 19345 1 134 . GLN . 19345 1 135 . ASP . 19345 1 136 . TYR . 19345 1 137 . GLU . 19345 1 138 . PRO . 19345 1 139 . GLU . 19345 1 140 . ALA . 19345 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 19345 1 . ASP 2 2 19345 1 . VAL 3 3 19345 1 . PHE 4 4 19345 1 . MET 5 5 19345 1 . LYS 6 6 19345 1 . GLY 7 7 19345 1 . LEU 8 8 19345 1 . SER 9 9 19345 1 . LYS 10 10 19345 1 . ALA 11 11 19345 1 . LYS 12 12 19345 1 . GLU 13 13 19345 1 . GLY 14 14 19345 1 . VAL 15 15 19345 1 . VAL 16 16 19345 1 . ALA 17 17 19345 1 . ALA 18 18 19345 1 . ALA 19 19 19345 1 . GLU 20 20 19345 1 . LYS 21 21 19345 1 . THR 22 22 19345 1 . LYS 23 23 19345 1 . GLN 24 24 19345 1 . GLY 25 25 19345 1 . VAL 26 26 19345 1 . ALA 27 27 19345 1 . GLU 28 28 19345 1 . ALA 29 29 19345 1 . ALA 30 30 19345 1 . GLY 31 31 19345 1 . LYS 32 32 19345 1 . THR 33 33 19345 1 . LYS 34 34 19345 1 . GLU 35 35 19345 1 . GLY 36 36 19345 1 . VAL 37 37 19345 1 . LEU 38 38 19345 1 . TYR 39 39 19345 1 . VAL 40 40 19345 1 . GLY 41 41 19345 1 . SER 42 42 19345 1 . LYS 43 43 19345 1 . THR 44 44 19345 1 . LYS 45 45 19345 1 . GLU 46 46 19345 1 . GLY 47 47 19345 1 . VAL 48 48 19345 1 . VAL 49 49 19345 1 . HIS 50 50 19345 1 . GLY 51 51 19345 1 . VAL 52 52 19345 1 . THR 53 53 19345 1 . THR 54 54 19345 1 . VAL 55 55 19345 1 . ALA 56 56 19345 1 . GLU 57 57 19345 1 . LYS 58 58 19345 1 . THR 59 59 19345 1 . LYS 60 60 19345 1 . GLU 61 61 19345 1 . GLN 62 62 19345 1 . VAL 63 63 19345 1 . THR 64 64 19345 1 . ASN 65 65 19345 1 . VAL 66 66 19345 1 . GLY 67 67 19345 1 . GLY 68 68 19345 1 . ALA 69 69 19345 1 . VAL 70 70 19345 1 . VAL 71 71 19345 1 . THR 72 72 19345 1 . GLY 73 73 19345 1 . VAL 74 74 19345 1 . THR 75 75 19345 1 . ALA 76 76 19345 1 . VAL 77 77 19345 1 . ALA 78 78 19345 1 . GLN 79 79 19345 1 . LYS 80 80 19345 1 . THR 81 81 19345 1 . VAL 82 82 19345 1 . GLU 83 83 19345 1 . GLY 84 84 19345 1 . ALA 85 85 19345 1 . GLY 86 86 19345 1 . ASN 87 87 19345 1 . ILE 88 88 19345 1 . ALA 89 89 19345 1 . ALA 90 90 19345 1 . ALA 91 91 19345 1 . THR 92 92 19345 1 . GLY 93 93 19345 1 . PHE 94 94 19345 1 . VAL 95 95 19345 1 . LYS 96 96 19345 1 . LYS 97 97 19345 1 . ASP 98 98 19345 1 . GLN 99 99 19345 1 . LEU 100 100 19345 1 . GLY 101 101 19345 1 . LYS 102 102 19345 1 . ASN 103 103 19345 1 . GLU 104 104 19345 1 . GLU 105 105 19345 1 . GLY 106 106 19345 1 . ALA 107 107 19345 1 . PRO 108 108 19345 1 . GLN 109 109 19345 1 . GLU 110 110 19345 1 . GLY 111 111 19345 1 . ILE 112 112 19345 1 . LEU 113 113 19345 1 . GLU 114 114 19345 1 . ASP 115 115 19345 1 . MET 116 116 19345 1 . PRO 117 117 19345 1 . VAL 118 118 19345 1 . ASP 119 119 19345 1 . PRO 120 120 19345 1 . ASP 121 121 19345 1 . ASN 122 122 19345 1 . GLU 123 123 19345 1 . ALA 124 124 19345 1 . TYR 125 125 19345 1 . GLU 126 126 19345 1 . MET 127 127 19345 1 . PRO 128 128 19345 1 . SER 129 129 19345 1 . GLU 130 130 19345 1 . GLU 131 131 19345 1 . GLY 132 132 19345 1 . TYR 133 133 19345 1 . GLN 134 134 19345 1 . ASP 135 135 19345 1 . TYR 136 136 19345 1 . GLU 137 137 19345 1 . PRO 138 138 19345 1 . GLU 139 139 19345 1 . ALA 140 140 19345 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 19345 _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 $aSyn_A53T-S87N . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19345 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 19345 _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 $aSyn_A53T-S87N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . p7-T7 . . . . . . 19345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19345 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 aSyn_A53T&S87N '[U-100% 13C; U-100% 15N]' . . 1 $aSyn_A53T-S87N . . 350 . . uM . . . . 19345 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19345 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19345 1 4 Phosphate 'natural abundance' . . . . . . 10 . . mM . . . . 19345 1 5 NaCl 'natural abundance' . . . . . . 138 . . mM . . . . 19345 1 6 KCl 'natural abundance' . . . . . . 2 . . mM . . . . 19345 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 19345 _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' 150 . mM 19345 1 pH 7.4 . pH 19345 1 pressure 1 . atm 19345 1 temperature 273 . K 19345 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19345 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19345 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 19345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19345 _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 Varian INOVA . 800 . . . 19345 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 19345 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19345 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19345 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19345 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19345 1 5 '3D HNN' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19345 1 6 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19345 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19345 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19345 _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 . . . . . . . . . 19345 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19345 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19345 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 19345 _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' . . . 19345 1 2 '3D CBCA(CO)NH' . . . 19345 1 3 '3D HNCO' . . . 19345 1 4 '3D HNCACB' . . . 19345 1 5 '3D HNN' . . . 19345 1 6 '3D HN(CA)CO' . . . 19345 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 13 176.020 0.1 . 1 . . . . 2 ASP C . 19345 1 2 . 1 1 2 2 ASP CA C 13 54.317 0.1 . 1 . . . . 2 ASP CA . 19345 1 3 . 1 1 2 2 ASP CB C 13 41.578 0.1 . 1 . . . . 2 ASP CB . 19345 1 4 . 1 1 3 3 VAL H H 1 8.253 0.02 . 1 . . . . 3 VAL H . 19345 1 5 . 1 1 3 3 VAL C C 13 175.993 0.1 . 1 . . . . 3 VAL C . 19345 1 6 . 1 1 3 3 VAL CA C 13 62.576 0.1 . 1 . . . . 3 VAL CA . 19345 1 7 . 1 1 3 3 VAL CB C 13 32.673 0.1 . 1 . . . . 3 VAL CB . 19345 1 8 . 1 1 3 3 VAL N N 15 120.374 0.07 . 1 . . . . 3 VAL N . 19345 1 9 . 1 1 4 4 PHE H H 1 8.360 0.02 . 1 . . . . 4 PHE H . 19345 1 10 . 1 1 4 4 PHE C C 13 175.911 0.1 . 1 . . . . 4 PHE C . 19345 1 11 . 1 1 4 4 PHE CA C 13 58.061 0.1 . 1 . . . . 4 PHE CA . 19345 1 12 . 1 1 4 4 PHE CB C 13 39.288 0.1 . 1 . . . . 4 PHE CB . 19345 1 13 . 1 1 4 4 PHE N N 15 123.496 0.07 . 1 . . . . 4 PHE N . 19345 1 14 . 1 1 5 5 MET H H 1 8.237 0.02 . 1 . . . . 5 MET H . 19345 1 15 . 1 1 5 5 MET C C 13 176.018 0.1 . 1 . . . . 5 MET C . 19345 1 16 . 1 1 5 5 MET CA C 13 55.517 0.1 . 1 . . . . 5 MET CA . 19345 1 17 . 1 1 5 5 MET CB C 13 32.647 0.1 . 1 . . . . 5 MET CB . 19345 1 18 . 1 1 5 5 MET N N 15 122.294 0.07 . 1 . . . . 5 MET N . 19345 1 19 . 1 1 6 6 LYS H H 1 8.294 0.02 . 1 . . . . 6 LYS H . 19345 1 20 . 1 1 6 6 LYS C C 13 177.184 0.1 . 1 . . . . 6 LYS C . 19345 1 21 . 1 1 6 6 LYS CA C 13 56.874 0.1 . 1 . . . . 6 LYS CA . 19345 1 22 . 1 1 6 6 LYS CB C 13 32.880 0.1 . 1 . . . . 6 LYS CB . 19345 1 23 . 1 1 6 6 LYS N N 15 122.669 0.07 . 1 . . . . 6 LYS N . 19345 1 24 . 1 1 7 7 GLY C C 13 174.227 0.1 . 1 . . . . 7 GLY C . 19345 1 25 . 1 1 7 7 GLY CA C 13 45.433 0.1 . 1 . . . . 7 GLY CA . 19345 1 26 . 1 1 8 8 LEU H H 1 8.076 0.02 . 1 . . . . 8 LEU H . 19345 1 27 . 1 1 8 8 LEU C C 13 177.669 0.1 . 1 . . . . 8 LEU C . 19345 1 28 . 1 1 8 8 LEU CA C 13 55.272 0.1 . 1 . . . . 8 LEU CA . 19345 1 29 . 1 1 8 8 LEU CB C 13 42.513 0.1 . 1 . . . . 8 LEU CB . 19345 1 30 . 1 1 8 8 LEU N N 15 121.603 0.07 . 1 . . . . 8 LEU N . 19345 1 31 . 1 1 9 9 SER H H 1 8.346 0.02 . 1 . . . . 9 SER H . 19345 1 32 . 1 1 9 9 SER C C 13 174.589 0.1 . 1 . . . . 9 SER C . 19345 1 33 . 1 1 9 9 SER CA C 13 58.459 0.1 . 1 . . . . 9 SER CA . 19345 1 34 . 1 1 9 9 SER CB C 13 63.799 0.1 . 1 . . . . 9 SER CB . 19345 1 35 . 1 1 9 9 SER N N 15 116.746 0.07 . 1 . . . . 9 SER N . 19345 1 36 . 1 1 10 10 LYS C C 13 176.490 0.1 . 1 . . . . 10 LYS C . 19345 1 37 . 1 1 10 10 LYS CA C 13 56.348 0.1 . 1 . . . . 10 LYS CA . 19345 1 38 . 1 1 10 10 LYS CB C 13 32.921 0.1 . 1 . . . . 10 LYS CB . 19345 1 39 . 1 1 11 11 ALA H H 1 8.315 0.02 . 1 . . . . 11 ALA H . 19345 1 40 . 1 1 11 11 ALA C C 13 177.934 0.1 . 1 . . . . 11 ALA C . 19345 1 41 . 1 1 11 11 ALA CA C 13 52.763 0.1 . 1 . . . . 11 ALA CA . 19345 1 42 . 1 1 11 11 ALA CB C 13 19.253 0.1 . 1 . . . . 11 ALA CB . 19345 1 43 . 1 1 11 11 ALA N N 15 125.321 0.07 . 1 . . . . 11 ALA N . 19345 1 44 . 1 1 12 12 LYS H H 1 8.359 0.02 . 1 . . . . 12 LYS H . 19345 1 45 . 1 1 12 12 LYS C C 13 176.711 0.1 . 1 . . . . 12 LYS C . 19345 1 46 . 1 1 12 12 LYS CA C 13 56.587 0.1 . 1 . . . . 12 LYS CA . 19345 1 47 . 1 1 12 12 LYS CB C 13 32.920 0.1 . 1 . . . . 12 LYS CB . 19345 1 48 . 1 1 12 12 LYS N N 15 120.918 0.07 . 1 . . . . 12 LYS N . 19345 1 49 . 1 1 14 14 GLY H H 1 8.487 0.02 . 1 . . . . 14 GLY H . 19345 1 50 . 1 1 14 14 GLY C C 13 174.055 0.1 . 1 . . . . 14 GLY C . 19345 1 51 . 1 1 14 14 GLY CA C 13 45.313 0.1 . 1 . . . . 14 GLY CA . 19345 1 52 . 1 1 14 14 GLY N N 15 110.148 0.07 . 1 . . . . 14 GLY N . 19345 1 53 . 1 1 15 15 VAL H H 1 7.999 0.02 . 1 . . . . 15 VAL H . 19345 1 54 . 1 1 15 15 VAL C C 13 176.490 0.1 . 1 . . . . 15 VAL C . 19345 1 55 . 1 1 15 15 VAL CA C 13 62.589 0.1 . 1 . . . . 15 VAL CA . 19345 1 56 . 1 1 15 15 VAL CB C 13 32.692 0.1 . 1 . . . . 15 VAL CB . 19345 1 57 . 1 1 15 15 VAL N N 15 120.166 0.07 . 1 . . . . 15 VAL N . 19345 1 58 . 1 1 16 16 VAL H H 1 8.326 0.02 . 1 . . . . 16 VAL H . 19345 1 59 . 1 1 16 16 VAL C C 13 176.023 0.1 . 1 . . . . 16 VAL C . 19345 1 60 . 1 1 16 16 VAL CA C 13 62.447 0.1 . 1 . . . . 16 VAL CA . 19345 1 61 . 1 1 16 16 VAL CB C 13 32.728 0.1 . 1 . . . . 16 VAL CB . 19345 1 62 . 1 1 16 16 VAL N N 15 125.260 0.07 . 1 . . . . 16 VAL N . 19345 1 63 . 1 1 17 17 ALA H H 1 8.472 0.02 . 1 . . . . 17 ALA H . 19345 1 64 . 1 1 17 17 ALA C C 13 177.688 0.1 . 1 . . . . 17 ALA C . 19345 1 65 . 1 1 17 17 ALA CA C 13 52.622 0.1 . 1 . . . . 17 ALA CA . 19345 1 66 . 1 1 17 17 ALA CB C 13 19.174 0.1 . 1 . . . . 17 ALA CB . 19345 1 67 . 1 1 17 17 ALA N N 15 128.526 0.07 . 1 . . . . 17 ALA N . 19345 1 68 . 1 1 18 18 ALA H H 1 8.338 0.02 . 1 . . . . 18 ALA H . 19345 1 69 . 1 1 18 18 ALA C C 13 177.927 0.1 . 1 . . . . 18 ALA C . 19345 1 70 . 1 1 18 18 ALA CA C 13 52.807 0.1 . 1 . . . . 18 ALA CA . 19345 1 71 . 1 1 18 18 ALA CB C 13 18.935 0.1 . 1 . . . . 18 ALA CB . 19345 1 72 . 1 1 18 18 ALA N N 15 123.760 0.07 . 1 . . . . 18 ALA N . 19345 1 73 . 1 1 19 19 ALA H H 1 8.301 0.02 . 1 . . . . 19 ALA H . 19345 1 74 . 1 1 19 19 ALA C C 13 178.228 0.1 . 1 . . . . 19 ALA C . 19345 1 75 . 1 1 19 19 ALA CA C 13 52.858 0.1 . 1 . . . . 19 ALA CA . 19345 1 76 . 1 1 19 19 ALA CB C 13 19.135 0.1 . 1 . . . . 19 ALA CB . 19345 1 77 . 1 1 19 19 ALA N N 15 123.139 0.07 . 1 . . . . 19 ALA N . 19345 1 78 . 1 1 20 20 GLU H H 1 8.357 0.02 . 1 . . . . 20 GLU H . 19345 1 79 . 1 1 20 20 GLU C C 13 176.960 0.1 . 1 . . . . 20 GLU C . 19345 1 80 . 1 1 20 20 GLU CA C 13 56.826 0.1 . 1 . . . . 20 GLU CA . 19345 1 81 . 1 1 20 20 GLU CB C 13 30.250 0.1 . 1 . . . . 20 GLU CB . 19345 1 82 . 1 1 20 20 GLU N N 15 120.154 0.07 . 1 . . . . 20 GLU N . 19345 1 83 . 1 1 21 21 LYS H H 1 8.362 0.02 . 1 . . . . 21 LYS H . 19345 1 84 . 1 1 21 21 LYS C C 13 177.174 0.1 . 1 . . . . 21 LYS C . 19345 1 85 . 1 1 21 21 LYS CA C 13 56.766 0.1 . 1 . . . . 21 LYS CA . 19345 1 86 . 1 1 21 21 LYS CB C 13 32.960 0.1 . 1 . . . . 21 LYS CB . 19345 1 87 . 1 1 21 21 LYS N N 15 122.326 0.07 . 1 . . . . 21 LYS N . 19345 1 88 . 1 1 22 22 THR H H 1 8.159 0.02 . 1 . . . . 22 THR H . 19345 1 89 . 1 1 22 22 THR C C 13 174.719 0.1 . 1 . . . . 22 THR C . 19345 1 90 . 1 1 22 22 THR CA C 13 62.387 0.1 . 1 . . . . 22 THR CA . 19345 1 91 . 1 1 22 22 THR CB C 13 69.815 0.1 . 1 . . . . 22 THR CB . 19345 1 92 . 1 1 22 22 THR N N 15 115.306 0.07 . 1 . . . . 22 THR N . 19345 1 93 . 1 1 23 23 LYS H H 1 8.371 0.02 . 1 . . . . 23 LYS H . 19345 1 94 . 1 1 23 23 LYS C C 13 176.710 0.1 . 1 . . . . 23 LYS C . 19345 1 95 . 1 1 23 23 LYS CA C 13 56.746 0.1 . 1 . . . . 23 LYS CA . 19345 1 96 . 1 1 23 23 LYS CB C 13 32.800 0.1 . 1 . . . . 23 LYS CB . 19345 1 97 . 1 1 23 23 LYS N N 15 123.812 0.07 . 1 . . . . 23 LYS N . 19345 1 98 . 1 1 24 24 GLN H H 1 8.449 0.02 . 1 . . . . 24 GLN H . 19345 1 99 . 1 1 24 24 GLN C C 13 176.621 0.1 . 1 . . . . 24 GLN C . 19345 1 100 . 1 1 24 24 GLN CA C 13 56.567 0.1 . 1 . . . . 24 GLN CA . 19345 1 101 . 1 1 24 24 GLN CB C 13 29.453 0.1 . 1 . . . . 24 GLN CB . 19345 1 102 . 1 1 24 24 GLN N N 15 121.850 0.07 . 1 . . . . 24 GLN N . 19345 1 103 . 1 1 25 25 GLY H H 1 8.510 0.02 . 1 . . . . 25 GLY H . 19345 1 104 . 1 1 25 25 GLY C C 13 174.274 0.1 . 1 . . . . 25 GLY C . 19345 1 105 . 1 1 25 25 GLY CA C 13 45.371 0.1 . 1 . . . . 25 GLY CA . 19345 1 106 . 1 1 25 25 GLY N N 15 110.589 0.07 . 1 . . . . 25 GLY N . 19345 1 107 . 1 1 26 26 VAL H H 1 8.040 0.02 . 1 . . . . 26 VAL H . 19345 1 108 . 1 1 26 26 VAL C C 13 176.405 0.1 . 1 . . . . 26 VAL C . 19345 1 109 . 1 1 26 26 VAL CA C 13 62.642 0.1 . 1 . . . . 26 VAL CA . 19345 1 110 . 1 1 26 26 VAL CB C 13 32.720 0.1 . 1 . . . . 26 VAL CB . 19345 1 111 . 1 1 26 26 VAL N N 15 119.797 0.07 . 1 . . . . 26 VAL N . 19345 1 112 . 1 1 27 27 ALA H H 1 8.454 0.02 . 1 . . . . 27 ALA H . 19345 1 113 . 1 1 27 27 ALA C C 13 178.148 0.1 . 1 . . . . 27 ALA C . 19345 1 114 . 1 1 27 27 ALA CA C 13 52.858 0.1 . 1 . . . . 27 ALA CA . 19345 1 115 . 1 1 27 27 ALA CB C 13 18.935 0.1 . 1 . . . . 27 ALA CB . 19345 1 116 . 1 1 27 27 ALA N N 15 127.463 0.07 . 1 . . . . 27 ALA N . 19345 1 117 . 1 1 28 28 GLU H H 1 8.427 0.02 . 1 . . . . 28 GLU H . 19345 1 118 . 1 1 28 28 GLU C C 13 176.698 0.1 . 1 . . . . 28 GLU C . 19345 1 119 . 1 1 28 28 GLU CA C 13 56.961 0.1 . 1 . . . . 28 GLU CA . 19345 1 120 . 1 1 28 28 GLU CB C 13 30.290 0.1 . 1 . . . . 28 GLU CB . 19345 1 121 . 1 1 28 28 GLU N N 15 120.639 0.07 . 1 . . . . 28 GLU N . 19345 1 122 . 1 1 29 29 ALA H H 1 8.317 0.02 . 1 . . . . 29 ALA H . 19345 1 123 . 1 1 29 29 ALA C C 13 177.762 0.1 . 1 . . . . 29 ALA C . 19345 1 124 . 1 1 29 29 ALA CA C 13 52.766 0.1 . 1 . . . . 29 ALA CA . 19345 1 125 . 1 1 29 29 ALA CB C 13 18.975 0.1 . 1 . . . . 29 ALA CB . 19345 1 126 . 1 1 29 29 ALA N N 15 125.023 0.07 . 1 . . . . 29 ALA N . 19345 1 127 . 1 1 30 30 ALA H H 1 8.265 0.02 . 1 . . . . 30 ALA H . 19345 1 128 . 1 1 30 30 ALA C C 13 178.497 0.1 . 1 . . . . 30 ALA C . 19345 1 129 . 1 1 30 30 ALA CA C 13 52.858 0.1 . 1 . . . . 30 ALA CA . 19345 1 130 . 1 1 30 30 ALA CB C 13 19.133 0.1 . 1 . . . . 30 ALA CB . 19345 1 131 . 1 1 30 30 ALA N N 15 123.133 0.07 . 1 . . . . 30 ALA N . 19345 1 132 . 1 1 31 31 GLY H H 1 8.344 0.02 . 1 . . . . 31 GLY H . 19345 1 133 . 1 1 31 31 GLY C C 13 174.232 0.1 . 1 . . . . 31 GLY C . 19345 1 134 . 1 1 31 31 GLY CA C 13 45.353 0.1 . 1 . . . . 31 GLY CA . 19345 1 135 . 1 1 31 31 GLY N N 15 107.838 0.07 . 1 . . . . 31 GLY N . 19345 1 136 . 1 1 32 32 LYS H H 1 8.135 0.02 . 1 . . . . 32 LYS H . 19345 1 137 . 1 1 32 32 LYS C C 13 177.029 0.1 . 1 . . . . 32 LYS C . 19345 1 138 . 1 1 32 32 LYS CA C 13 56.287 0.1 . 1 . . . . 32 LYS CA . 19345 1 139 . 1 1 32 32 LYS CB C 13 33.133 0.1 . 1 . . . . 32 LYS CB . 19345 1 140 . 1 1 32 32 LYS N N 15 120.755 0.07 . 1 . . . . 32 LYS N . 19345 1 141 . 1 1 33 33 THR H H 1 8.254 0.02 . 1 . . . . 33 THR H . 19345 1 142 . 1 1 33 33 THR C C 13 174.691 0.1 . 1 . . . . 33 THR C . 19345 1 143 . 1 1 33 33 THR CA C 13 62.200 0.1 . 1 . . . . 33 THR CA . 19345 1 144 . 1 1 33 33 THR CB C 13 69.904 0.1 . 1 . . . . 33 THR CB . 19345 1 145 . 1 1 33 33 THR N N 15 115.656 0.07 . 1 . . . . 33 THR N . 19345 1 146 . 1 1 34 34 LYS C C 13 176.514 0.1 . 1 . . . . 34 LYS C . 19345 1 147 . 1 1 34 34 LYS CA C 13 56.587 0.1 . 1 . . . . 34 LYS CA . 19345 1 148 . 1 1 34 34 LYS CB C 13 33.000 0.1 . 1 . . . . 34 LYS CB . 19345 1 149 . 1 1 35 35 GLU H H 1 8.465 0.02 . 1 . . . . 35 GLU H . 19345 1 150 . 1 1 35 35 GLU C C 13 177.099 0.1 . 1 . . . . 35 GLU C . 19345 1 151 . 1 1 35 35 GLU CA C 13 56.914 0.1 . 1 . . . . 35 GLU CA . 19345 1 152 . 1 1 35 35 GLU CB C 13 30.170 0.1 . 1 . . . . 35 GLU CB . 19345 1 153 . 1 1 35 35 GLU N N 15 122.208 0.07 . 1 . . . . 35 GLU N . 19345 1 154 . 1 1 36 36 GLY H H 1 8.441 0.02 . 1 . . . . 36 GLY H . 19345 1 155 . 1 1 36 36 GLY C C 13 174.043 0.1 . 1 . . . . 36 GLY C . 19345 1 156 . 1 1 36 36 GLY CA C 13 45.337 0.1 . 1 . . . . 36 GLY CA . 19345 1 157 . 1 1 36 36 GLY N N 15 110.014 0.07 . 1 . . . . 36 GLY N . 19345 1 158 . 1 1 37 37 VAL H H 1 7.932 0.02 . 1 . . . . 37 VAL H . 19345 1 159 . 1 1 37 37 VAL C C 13 175.953 0.1 . 1 . . . . 37 VAL C . 19345 1 160 . 1 1 37 37 VAL CA C 13 62.415 0.1 . 1 . . . . 37 VAL CA . 19345 1 161 . 1 1 37 37 VAL CB C 13 32.733 0.1 . 1 . . . . 37 VAL CB . 19345 1 162 . 1 1 37 37 VAL N N 15 119.600 0.07 . 1 . . . . 37 VAL N . 19345 1 163 . 1 1 38 38 LEU H H 1 8.309 0.02 . 1 . . . . 38 LEU H . 19345 1 164 . 1 1 38 38 LEU C C 13 176.673 0.1 . 1 . . . . 38 LEU C . 19345 1 165 . 1 1 38 38 LEU CA C 13 54.993 0.1 . 1 . . . . 38 LEU CA . 19345 1 166 . 1 1 38 38 LEU CB C 13 42.452 0.1 . 1 . . . . 38 LEU CB . 19345 1 167 . 1 1 38 38 LEU N N 15 125.876 0.07 . 1 . . . . 38 LEU N . 19345 1 168 . 1 1 39 39 TYR H H 1 8.294 0.02 . 1 . . . . 39 TYR H . 19345 1 169 . 1 1 39 39 TYR C C 13 175.605 0.1 . 1 . . . . 39 TYR C . 19345 1 170 . 1 1 39 39 TYR CA C 13 57.906 0.1 . 1 . . . . 39 TYR CA . 19345 1 171 . 1 1 39 39 TYR CB C 13 38.856 0.1 . 1 . . . . 39 TYR CB . 19345 1 172 . 1 1 39 39 TYR N N 15 122.514 0.07 . 1 . . . . 39 TYR N . 19345 1 173 . 1 1 40 40 VAL H H 1 8.104 0.02 . 1 . . . . 40 VAL H . 19345 1 174 . 1 1 40 40 VAL C C 13 176.171 0.1 . 1 . . . . 40 VAL C . 19345 1 175 . 1 1 40 40 VAL CA C 13 62.271 0.1 . 1 . . . . 40 VAL CA . 19345 1 176 . 1 1 40 40 VAL CB C 13 32.832 0.1 . 1 . . . . 40 VAL CB . 19345 1 177 . 1 1 40 40 VAL N N 15 123.371 0.07 . 1 . . . . 40 VAL N . 19345 1 178 . 1 1 41 41 GLY H H 1 8.073 0.02 . 1 . . . . 41 GLY H . 19345 1 179 . 1 1 41 41 GLY C C 13 173.973 0.1 . 1 . . . . 41 GLY C . 19345 1 180 . 1 1 41 41 GLY CA C 13 45.151 0.1 . 1 . . . . 41 GLY CA . 19345 1 181 . 1 1 41 41 GLY N N 15 112.206 0.07 . 1 . . . . 41 GLY N . 19345 1 182 . 1 1 42 42 SER H H 1 8.279 0.02 . 1 . . . . 42 SER H . 19345 1 183 . 1 1 42 42 SER N N 15 115.688 0.07 . 1 . . . . 42 SER N . 19345 1 184 . 1 1 43 43 LYS C C 13 176.892 0.1 . 1 . . . . 43 LYS C . 19345 1 185 . 1 1 43 43 LYS CA C 13 56.389 0.1 . 1 . . . . 43 LYS CA . 19345 1 186 . 1 1 43 43 LYS CB C 13 33.039 0.1 . 1 . . . . 43 LYS CB . 19345 1 187 . 1 1 44 44 THR H H 1 8.207 0.02 . 1 . . . . 44 THR H . 19345 1 188 . 1 1 44 44 THR C C 13 174.618 0.1 . 1 . . . . 44 THR C . 19345 1 189 . 1 1 44 44 THR CA C 13 61.933 0.1 . 1 . . . . 44 THR CA . 19345 1 190 . 1 1 44 44 THR CB C 13 69.974 0.1 . 1 . . . . 44 THR CB . 19345 1 191 . 1 1 44 44 THR N N 15 115.537 0.07 . 1 . . . . 44 THR N . 19345 1 192 . 1 1 45 45 LYS H H 1 8.505 0.02 . 1 . . . . 45 LYS H . 19345 1 193 . 1 1 45 45 LYS C C 13 176.505 0.1 . 1 . . . . 45 LYS C . 19345 1 194 . 1 1 45 45 LYS CA C 13 56.556 0.1 . 1 . . . . 45 LYS CA . 19345 1 195 . 1 1 45 45 LYS CB C 13 33.000 0.1 . 1 . . . . 45 LYS CB . 19345 1 196 . 1 1 45 45 LYS N N 15 123.915 0.07 . 1 . . . . 45 LYS N . 19345 1 197 . 1 1 46 46 GLU C C 13 176.983 0.1 . 1 . . . . 46 GLU C . 19345 1 198 . 1 1 47 47 GLY C C 13 173.887 0.1 . 1 . . . . 47 GLY C . 19345 1 199 . 1 1 47 47 GLY CA C 13 45.329 0.1 . 1 . . . . 47 GLY CA . 19345 1 200 . 1 1 48 48 VAL H H 1 7.937 0.02 . 1 . . . . 48 VAL H . 19345 1 201 . 1 1 48 48 VAL C C 13 176.037 0.1 . 1 . . . . 48 VAL C . 19345 1 202 . 1 1 48 48 VAL CA C 13 62.357 0.1 . 1 . . . . 48 VAL CA . 19345 1 203 . 1 1 48 48 VAL CB C 13 32.760 0.1 . 1 . . . . 48 VAL CB . 19345 1 204 . 1 1 48 48 VAL N N 15 120.011 0.07 . 1 . . . . 48 VAL N . 19345 1 205 . 1 1 49 49 VAL H H 1 8.309 0.02 . 1 . . . . 49 VAL H . 19345 1 206 . 1 1 49 49 VAL C C 13 175.895 0.1 . 1 . . . . 49 VAL C . 19345 1 207 . 1 1 49 49 VAL CA C 13 62.230 0.1 . 1 . . . . 49 VAL CA . 19345 1 208 . 1 1 49 49 VAL CB C 13 32.733 0.1 . 1 . . . . 49 VAL CB . 19345 1 209 . 1 1 49 49 VAL N N 15 125.275 0.07 . 1 . . . . 49 VAL N . 19345 1 210 . 1 1 50 50 HIS H H 1 8.520 0.02 . 1 . . . . 50 HIS H . 19345 1 211 . 1 1 50 50 HIS C C 13 175.814 0.1 . 1 . . . . 50 HIS C . 19345 1 212 . 1 1 50 50 HIS CA C 13 56.427 0.1 . 1 . . . . 50 HIS CA . 19345 1 213 . 1 1 50 50 HIS CB C 13 30.979 0.1 . 1 . . . . 50 HIS CB . 19345 1 214 . 1 1 50 50 HIS N N 15 124.800 0.07 . 1 . . . . 50 HIS N . 19345 1 215 . 1 1 51 51 GLY H H 1 8.438 0.02 . 1 . . . . 51 GLY H . 19345 1 216 . 1 1 51 51 GLY C C 13 173.857 0.1 . 1 . . . . 51 GLY C . 19345 1 217 . 1 1 51 51 GLY CA C 13 45.238 0.1 . 1 . . . . 51 GLY CA . 19345 1 218 . 1 1 51 51 GLY N N 15 110.733 0.07 . 1 . . . . 51 GLY N . 19345 1 219 . 1 1 52 52 VAL H H 1 8.126 0.02 . 1 . . . . 52 VAL H . 19345 1 220 . 1 1 52 52 VAL C C 13 176.571 0.1 . 1 . . . . 52 VAL C . 19345 1 221 . 1 1 52 52 VAL CA C 13 62.364 0.1 . 1 . . . . 52 VAL CA . 19345 1 222 . 1 1 52 52 VAL CB C 13 32.960 0.1 . 1 . . . . 52 VAL CB . 19345 1 223 . 1 1 52 52 VAL N N 15 119.645 0.07 . 1 . . . . 52 VAL N . 19345 1 224 . 1 1 53 53 THR H H 1 8.433 0.02 . 1 . . . . 53 THR H . 19345 1 225 . 1 1 53 53 THR C C 13 174.566 0.1 . 1 . . . . 53 THR C . 19345 1 226 . 1 1 53 53 THR CA C 13 61.903 0.1 . 1 . . . . 53 THR CA . 19345 1 227 . 1 1 53 53 THR CB C 13 69.896 0.1 . 1 . . . . 53 THR CB . 19345 1 228 . 1 1 53 53 THR N N 15 118.930 0.07 . 1 . . . . 53 THR N . 19345 1 229 . 1 1 54 54 THR H H 1 8.297 0.02 . 1 . . . . 54 THR H . 19345 1 230 . 1 1 54 54 THR C C 13 174.373 0.1 . 1 . . . . 54 THR C . 19345 1 231 . 1 1 54 54 THR CA C 13 61.806 0.1 . 1 . . . . 54 THR CA . 19345 1 232 . 1 1 54 54 THR CB C 13 70.014 0.1 . 1 . . . . 54 THR CB . 19345 1 233 . 1 1 54 54 THR N N 15 117.915 0.07 . 1 . . . . 54 THR N . 19345 1 234 . 1 1 55 55 VAL H H 1 8.261 0.02 . 1 . . . . 55 VAL H . 19345 1 235 . 1 1 55 55 VAL C C 13 175.903 0.1 . 1 . . . . 55 VAL C . 19345 1 236 . 1 1 55 55 VAL CA C 13 62.448 0.1 . 1 . . . . 55 VAL CA . 19345 1 237 . 1 1 55 55 VAL CB C 13 32.641 0.1 . 1 . . . . 55 VAL CB . 19345 1 238 . 1 1 55 55 VAL N N 15 123.127 0.07 . 1 . . . . 55 VAL N . 19345 1 239 . 1 1 56 56 ALA H H 1 8.456 0.02 . 1 . . . . 56 ALA H . 19345 1 240 . 1 1 56 56 ALA C C 13 177.803 0.1 . 1 . . . . 56 ALA C . 19345 1 241 . 1 1 56 56 ALA CA C 13 52.634 0.1 . 1 . . . . 56 ALA CA . 19345 1 242 . 1 1 56 56 ALA CB C 13 19.094 0.1 . 1 . . . . 56 ALA CB . 19345 1 243 . 1 1 56 56 ALA N N 15 128.288 0.07 . 1 . . . . 56 ALA N . 19345 1 244 . 1 1 57 57 GLU H H 1 8.407 0.02 . 1 . . . . 57 GLU H . 19345 1 245 . 1 1 57 57 GLU C C 13 176.730 0.1 . 1 . . . . 57 GLU C . 19345 1 246 . 1 1 57 57 GLU CA C 13 56.667 0.1 . 1 . . . . 57 GLU CA . 19345 1 247 . 1 1 57 57 GLU CB C 13 30.330 0.1 . 1 . . . . 57 GLU CB . 19345 1 248 . 1 1 57 57 GLU N N 15 120.957 0.07 . 1 . . . . 57 GLU N . 19345 1 249 . 1 1 58 58 LYS H H 1 8.456 0.02 . 1 . . . . 58 LYS H . 19345 1 250 . 1 1 58 58 LYS C C 13 176.990 0.1 . 1 . . . . 58 LYS C . 19345 1 251 . 1 1 58 58 LYS CA C 13 56.408 0.1 . 1 . . . . 58 LYS CA . 19345 1 252 . 1 1 58 58 LYS CB C 13 32.956 0.1 . 1 . . . . 58 LYS CB . 19345 1 253 . 1 1 58 58 LYS N N 15 122.892 0.07 . 1 . . . . 58 LYS N . 19345 1 254 . 1 1 59 59 THR H H 1 8.237 0.02 . 1 . . . . 59 THR H . 19345 1 255 . 1 1 59 59 THR C C 13 174.671 0.1 . 1 . . . . 59 THR C . 19345 1 256 . 1 1 59 59 THR CA C 13 62.245 0.1 . 1 . . . . 59 THR CA . 19345 1 257 . 1 1 59 59 THR CB C 13 69.855 0.1 . 1 . . . . 59 THR CB . 19345 1 258 . 1 1 59 59 THR N N 15 115.992 0.07 . 1 . . . . 59 THR N . 19345 1 259 . 1 1 60 60 LYS H H 1 8.412 0.02 . 1 . . . . 60 LYS H . 19345 1 260 . 1 1 60 60 LYS C C 13 176.707 0.1 . 1 . . . . 60 LYS C . 19345 1 261 . 1 1 60 60 LYS CA C 13 56.667 0.1 . 1 . . . . 60 LYS CA . 19345 1 262 . 1 1 60 60 LYS CB C 13 32.800 0.1 . 1 . . . . 60 LYS CB . 19345 1 263 . 1 1 60 60 LYS N N 15 123.749 0.07 . 1 . . . . 60 LYS N . 19345 1 264 . 1 1 61 61 GLU C C 13 176.465 0.1 . 1 . . . . 61 GLU C . 19345 1 265 . 1 1 62 62 GLN H H 1 8.449 0.02 . 1 . . . . 62 GLN H . 19345 1 266 . 1 1 62 62 GLN C C 13 175.993 0.1 . 1 . . . . 62 GLN C . 19345 1 267 . 1 1 62 62 GLN CA C 13 55.870 0.1 . 1 . . . . 62 GLN CA . 19345 1 268 . 1 1 62 62 GLN CB C 13 29.571 0.1 . 1 . . . . 62 GLN CB . 19345 1 269 . 1 1 62 62 GLN N N 15 121.850 0.07 . 1 . . . . 62 GLN N . 19345 1 270 . 1 1 63 63 VAL H H 1 8.311 0.02 . 1 . . . . 63 VAL H . 19345 1 271 . 1 1 63 63 VAL C C 13 176.383 0.1 . 1 . . . . 63 VAL C . 19345 1 272 . 1 1 63 63 VAL CA C 13 62.452 0.1 . 1 . . . . 63 VAL CA . 19345 1 273 . 1 1 63 63 VAL CB C 13 32.759 0.1 . 1 . . . . 63 VAL CB . 19345 1 274 . 1 1 63 63 VAL N N 15 122.002 0.07 . 1 . . . . 63 VAL N . 19345 1 275 . 1 1 64 64 THR H H 1 8.329 0.02 . 1 . . . . 64 THR H . 19345 1 276 . 1 1 64 64 THR C C 13 174.077 0.1 . 1 . . . . 64 THR C . 19345 1 277 . 1 1 64 64 THR CA C 13 62.104 0.1 . 1 . . . . 64 THR CA . 19345 1 278 . 1 1 64 64 THR CB C 13 69.895 0.1 . 1 . . . . 64 THR CB . 19345 1 279 . 1 1 64 64 THR N N 15 118.148 0.07 . 1 . . . . 64 THR N . 19345 1 280 . 1 1 65 65 ASN H H 1 8.548 0.02 . 1 . . . . 65 ASN H . 19345 1 281 . 1 1 65 65 ASN C C 13 175.274 0.1 . 1 . . . . 65 ASN C . 19345 1 282 . 1 1 65 65 ASN CA C 13 53.160 0.1 . 1 . . . . 65 ASN CA . 19345 1 283 . 1 1 65 65 ASN CB C 13 38.976 0.1 . 1 . . . . 65 ASN CB . 19345 1 284 . 1 1 65 65 ASN N N 15 121.895 0.07 . 1 . . . . 65 ASN N . 19345 1 285 . 1 1 66 66 VAL H H 1 8.263 0.02 . 1 . . . . 66 VAL H . 19345 1 286 . 1 1 66 66 VAL C C 13 176.892 0.1 . 1 . . . . 66 VAL C . 19345 1 287 . 1 1 66 66 VAL CA C 13 62.714 0.1 . 1 . . . . 66 VAL CA . 19345 1 288 . 1 1 66 66 VAL CB C 13 32.521 0.1 . 1 . . . . 66 VAL CB . 19345 1 289 . 1 1 66 66 VAL N N 15 120.802 0.07 . 1 . . . . 66 VAL N . 19345 1 290 . 1 1 67 67 GLY H H 1 8.577 0.02 . 1 . . . . 67 GLY H . 19345 1 291 . 1 1 67 67 GLY C C 13 174.685 0.1 . 1 . . . . 67 GLY C . 19345 1 292 . 1 1 67 67 GLY CA C 13 45.356 0.1 . 1 . . . . 67 GLY CA . 19345 1 293 . 1 1 67 67 GLY N N 15 112.675 0.07 . 1 . . . . 67 GLY N . 19345 1 294 . 1 1 68 68 GLY H H 1 8.258 0.02 . 1 . . . . 68 GLY H . 19345 1 295 . 1 1 68 68 GLY C C 13 173.754 0.1 . 1 . . . . 68 GLY C . 19345 1 296 . 1 1 68 68 GLY CA C 13 45.072 0.1 . 1 . . . . 68 GLY CA . 19345 1 297 . 1 1 68 68 GLY N N 15 108.877 0.07 . 1 . . . . 68 GLY N . 19345 1 298 . 1 1 69 69 ALA H H 1 8.188 0.02 . 1 . . . . 69 ALA H . 19345 1 299 . 1 1 69 69 ALA C C 13 177.675 0.1 . 1 . . . . 69 ALA C . 19345 1 300 . 1 1 69 69 ALA CA C 13 52.430 0.1 . 1 . . . . 69 ALA CA . 19345 1 301 . 1 1 69 69 ALA CB C 13 19.452 0.1 . 1 . . . . 69 ALA CB . 19345 1 302 . 1 1 69 69 ALA N N 15 123.837 0.07 . 1 . . . . 69 ALA N . 19345 1 303 . 1 1 70 70 VAL H H 1 8.235 0.02 . 1 . . . . 70 VAL H . 19345 1 304 . 1 1 70 70 VAL C C 13 176.363 0.1 . 1 . . . . 70 VAL C . 19345 1 305 . 1 1 70 70 VAL CA C 13 62.524 0.1 . 1 . . . . 70 VAL CA . 19345 1 306 . 1 1 70 70 VAL CB C 13 32.720 0.1 . 1 . . . . 70 VAL CB . 19345 1 307 . 1 1 70 70 VAL N N 15 120.552 0.07 . 1 . . . . 70 VAL N . 19345 1 308 . 1 1 71 71 VAL H H 1 8.419 0.02 . 1 . . . . 71 VAL H . 19345 1 309 . 1 1 71 71 VAL C C 13 176.320 0.1 . 1 . . . . 71 VAL C . 19345 1 310 . 1 1 71 71 VAL CA C 13 62.356 0.1 . 1 . . . . 71 VAL CA . 19345 1 311 . 1 1 71 71 VAL CB C 13 32.796 0.1 . 1 . . . . 71 VAL CB . 19345 1 312 . 1 1 71 71 VAL N N 15 125.451 0.07 . 1 . . . . 71 VAL N . 19345 1 313 . 1 1 72 72 THR H H 1 8.335 0.02 . 1 . . . . 72 THR H . 19345 1 314 . 1 1 72 72 THR C C 13 174.927 0.1 . 1 . . . . 72 THR C . 19345 1 315 . 1 1 72 72 THR CA C 13 61.905 0.1 . 1 . . . . 72 THR CA . 19345 1 316 . 1 1 72 72 THR CB C 13 69.974 0.1 . 1 . . . . 72 THR CB . 19345 1 317 . 1 1 72 72 THR N N 15 118.690 0.07 . 1 . . . . 72 THR N . 19345 1 318 . 1 1 73 73 GLY H H 1 8.465 0.02 . 1 . . . . 73 GLY H . 19345 1 319 . 1 1 73 73 GLY C C 13 174.037 0.1 . 1 . . . . 73 GLY C . 19345 1 320 . 1 1 73 73 GLY CA C 13 45.301 0.1 . 1 . . . . 73 GLY CA . 19345 1 321 . 1 1 73 73 GLY N N 15 111.400 0.07 . 1 . . . . 73 GLY N . 19345 1 322 . 1 1 74 74 VAL H H 1 8.105 0.02 . 1 . . . . 74 VAL H . 19345 1 323 . 1 1 74 74 VAL C C 13 176.586 0.1 . 1 . . . . 74 VAL C . 19345 1 324 . 1 1 74 74 VAL CA C 13 62.377 0.1 . 1 . . . . 74 VAL CA . 19345 1 325 . 1 1 74 74 VAL CB C 13 32.760 0.1 . 1 . . . . 74 VAL CB . 19345 1 326 . 1 1 74 74 VAL N N 15 119.549 0.07 . 1 . . . . 74 VAL N . 19345 1 327 . 1 1 75 75 THR H H 1 8.325 0.02 . 1 . . . . 75 THR H . 19345 1 328 . 1 1 75 75 THR C C 13 174.113 0.1 . 1 . . . . 75 THR C . 19345 1 329 . 1 1 75 75 THR CA C 13 62.013 0.1 . 1 . . . . 75 THR CA . 19345 1 330 . 1 1 75 75 THR CB C 13 69.815 0.1 . 1 . . . . 75 THR CB . 19345 1 331 . 1 1 75 75 THR N N 15 118.983 0.07 . 1 . . . . 75 THR N . 19345 1 332 . 1 1 76 76 ALA H H 1 8.396 0.02 . 1 . . . . 76 ALA H . 19345 1 333 . 1 1 76 76 ALA C C 13 177.594 0.1 . 1 . . . . 76 ALA C . 19345 1 334 . 1 1 76 76 ALA CA C 13 52.562 0.1 . 1 . . . . 76 ALA CA . 19345 1 335 . 1 1 76 76 ALA CB C 13 19.293 0.1 . 1 . . . . 76 ALA CB . 19345 1 336 . 1 1 76 76 ALA N N 15 127.454 0.07 . 1 . . . . 76 ALA N . 19345 1 337 . 1 1 77 77 VAL H H 1 8.163 0.02 . 1 . . . . 77 VAL H . 19345 1 338 . 1 1 77 77 VAL C C 13 176.040 0.1 . 1 . . . . 77 VAL C . 19345 1 339 . 1 1 77 77 VAL CA C 13 62.285 0.1 . 1 . . . . 77 VAL CA . 19345 1 340 . 1 1 77 77 VAL CB C 13 32.800 0.1 . 1 . . . . 77 VAL CB . 19345 1 341 . 1 1 77 77 VAL N N 15 120.117 0.07 . 1 . . . . 77 VAL N . 19345 1 342 . 1 1 78 78 ALA H H 1 8.430 0.02 . 1 . . . . 78 ALA H . 19345 1 343 . 1 1 78 78 ALA C C 13 177.666 0.1 . 1 . . . . 78 ALA C . 19345 1 344 . 1 1 78 78 ALA CA C 13 52.622 0.1 . 1 . . . . 78 ALA CA . 19345 1 345 . 1 1 78 78 ALA CB C 13 19.053 0.1 . 1 . . . . 78 ALA CB . 19345 1 346 . 1 1 78 78 ALA N N 15 128.161 0.07 . 1 . . . . 78 ALA N . 19345 1 347 . 1 1 79 79 GLN H H 1 8.413 0.02 . 1 . . . . 79 GLN H . 19345 1 348 . 1 1 79 79 GLN C C 13 175.980 0.1 . 1 . . . . 79 GLN C . 19345 1 349 . 1 1 79 79 GLN CA C 13 55.810 0.1 . 1 . . . . 79 GLN CA . 19345 1 350 . 1 1 79 79 GLN CB C 13 29.650 0.1 . 1 . . . . 79 GLN CB . 19345 1 351 . 1 1 79 79 GLN N N 15 120.352 0.07 . 1 . . . . 79 GLN N . 19345 1 352 . 1 1 80 80 LYS H H 1 8.461 0.02 . 1 . . . . 80 LYS H . 19345 1 353 . 1 1 80 80 LYS C C 13 176.723 0.1 . 1 . . . . 80 LYS C . 19345 1 354 . 1 1 80 80 LYS CA C 13 56.436 0.1 . 1 . . . . 80 LYS CA . 19345 1 355 . 1 1 80 80 LYS CB C 13 33.159 0.1 . 1 . . . . 80 LYS CB . 19345 1 356 . 1 1 80 80 LYS N N 15 123.320 0.07 . 1 . . . . 80 LYS N . 19345 1 357 . 1 1 81 81 THR H H 1 8.317 0.02 . 1 . . . . 81 THR H . 19345 1 358 . 1 1 81 81 THR C C 13 174.467 0.1 . 1 . . . . 81 THR C . 19345 1 359 . 1 1 81 81 THR CA C 13 62.046 0.1 . 1 . . . . 81 THR CA . 19345 1 360 . 1 1 81 81 THR CB C 13 69.941 0.1 . 1 . . . . 81 THR CB . 19345 1 361 . 1 1 81 81 THR N N 15 116.963 0.07 . 1 . . . . 81 THR N . 19345 1 362 . 1 1 82 82 VAL H H 1 8.327 0.02 . 1 . . . . 82 VAL H . 19345 1 363 . 1 1 82 82 VAL C C 13 176.187 0.1 . 1 . . . . 82 VAL C . 19345 1 364 . 1 1 82 82 VAL CA C 13 62.367 0.1 . 1 . . . . 82 VAL CA . 19345 1 365 . 1 1 82 82 VAL CB C 13 32.834 0.1 . 1 . . . . 82 VAL CB . 19345 1 366 . 1 1 82 82 VAL N N 15 123.079 0.07 . 1 . . . . 82 VAL N . 19345 1 367 . 1 1 83 83 GLU H H 1 8.601 0.02 . 1 . . . . 83 GLU H . 19345 1 368 . 1 1 83 83 GLU C C 13 177.085 0.1 . 1 . . . . 83 GLU C . 19345 1 369 . 1 1 83 83 GLU CA C 13 56.846 0.1 . 1 . . . . 83 GLU CA . 19345 1 370 . 1 1 83 83 GLU CB C 13 30.330 0.1 . 1 . . . . 83 GLU CB . 19345 1 371 . 1 1 83 83 GLU N N 15 125.407 0.07 . 1 . . . . 83 GLU N . 19345 1 372 . 1 1 84 84 GLY H H 1 8.539 0.02 . 1 . . . . 84 GLY H . 19345 1 373 . 1 1 84 84 GLY C C 13 174.104 0.1 . 1 . . . . 84 GLY C . 19345 1 374 . 1 1 84 84 GLY CA C 13 45.324 0.1 . 1 . . . . 84 GLY CA . 19345 1 375 . 1 1 84 84 GLY N N 15 110.874 0.07 . 1 . . . . 84 GLY N . 19345 1 376 . 1 1 85 85 ALA H H 1 8.254 0.02 . 1 . . . . 85 ALA H . 19345 1 377 . 1 1 85 85 ALA C C 13 178.410 0.1 . 1 . . . . 85 ALA C . 19345 1 378 . 1 1 85 85 ALA CA C 13 52.715 0.1 . 1 . . . . 85 ALA CA . 19345 1 379 . 1 1 85 85 ALA CB C 13 19.137 0.1 . 1 . . . . 85 ALA CB . 19345 1 380 . 1 1 85 85 ALA N N 15 123.833 0.07 . 1 . . . . 85 ALA N . 19345 1 381 . 1 1 86 86 GLY H H 1 8.482 0.02 . 1 . . . . 86 GLY H . 19345 1 382 . 1 1 86 86 GLY C C 13 174.001 0.1 . 1 . . . . 86 GLY C . 19345 1 383 . 1 1 86 86 GLY CA C 13 45.311 0.1 . 1 . . . . 86 GLY CA . 19345 1 384 . 1 1 86 86 GLY N N 15 107.773 0.07 . 1 . . . . 86 GLY N . 19345 1 385 . 1 1 87 87 ASN H H 1 8.292 0.02 . 1 . . . . 87 ASN H . 19345 1 386 . 1 1 87 87 ASN C C 13 175.376 0.1 . 1 . . . . 87 ASN C . 19345 1 387 . 1 1 87 87 ASN CA C 13 53.245 0.1 . 1 . . . . 87 ASN CA . 19345 1 388 . 1 1 87 87 ASN CB C 13 38.896 0.1 . 1 . . . . 87 ASN CB . 19345 1 389 . 1 1 87 87 ASN N N 15 118.809 0.07 . 1 . . . . 87 ASN N . 19345 1 390 . 1 1 88 88 ILE H H 1 8.149 0.02 . 1 . . . . 88 ILE H . 19345 1 391 . 1 1 88 88 ILE C C 13 176.184 0.1 . 1 . . . . 88 ILE C . 19345 1 392 . 1 1 88 88 ILE CA C 13 61.404 0.1 . 1 . . . . 88 ILE CA . 19345 1 393 . 1 1 88 88 ILE CB C 13 38.578 0.1 . 1 . . . . 88 ILE CB . 19345 1 394 . 1 1 88 88 ILE N N 15 121.645 0.07 . 1 . . . . 88 ILE N . 19345 1 395 . 1 1 89 89 ALA H H 1 8.400 0.02 . 1 . . . . 89 ALA H . 19345 1 396 . 1 1 89 89 ALA C C 13 177.564 0.1 . 1 . . . . 89 ALA C . 19345 1 397 . 1 1 89 89 ALA CA C 13 52.680 0.1 . 1 . . . . 89 ALA CA . 19345 1 398 . 1 1 89 89 ALA CB C 13 19.135 0.1 . 1 . . . . 89 ALA CB . 19345 1 399 . 1 1 89 89 ALA N N 15 128.096 0.07 . 1 . . . . 89 ALA N . 19345 1 400 . 1 1 90 90 ALA H H 1 8.207 0.02 . 1 . . . . 90 ALA H . 19345 1 401 . 1 1 90 90 ALA C C 13 177.733 0.1 . 1 . . . . 90 ALA C . 19345 1 402 . 1 1 90 90 ALA CA C 13 52.713 0.1 . 1 . . . . 90 ALA CA . 19345 1 403 . 1 1 90 90 ALA CB C 13 19.174 0.1 . 1 . . . . 90 ALA CB . 19345 1 404 . 1 1 90 90 ALA N N 15 123.359 0.07 . 1 . . . . 90 ALA N . 19345 1 405 . 1 1 91 91 ALA H H 1 8.314 0.02 . 1 . . . . 91 ALA H . 19345 1 406 . 1 1 91 91 ALA C C 13 178.151 0.1 . 1 . . . . 91 ALA C . 19345 1 407 . 1 1 91 91 ALA CA C 13 52.724 0.1 . 1 . . . . 91 ALA CA . 19345 1 408 . 1 1 91 91 ALA CB C 13 19.190 0.1 . 1 . . . . 91 ALA CB . 19345 1 409 . 1 1 91 91 ALA N N 15 123.486 0.07 . 1 . . . . 91 ALA N . 19345 1 410 . 1 1 92 92 THR H H 1 8.119 0.02 . 1 . . . . 92 THR H . 19345 1 411 . 1 1 92 92 THR C C 13 175.173 0.1 . 1 . . . . 92 THR C . 19345 1 412 . 1 1 92 92 THR CA C 13 62.046 0.1 . 1 . . . . 92 THR CA . 19345 1 413 . 1 1 92 92 THR CB C 13 69.901 0.1 . 1 . . . . 92 THR CB . 19345 1 414 . 1 1 92 92 THR N N 15 112.708 0.07 . 1 . . . . 92 THR N . 19345 1 415 . 1 1 93 93 GLY H H 1 8.341 0.02 . 1 . . . . 93 GLY H . 19345 1 416 . 1 1 93 93 GLY C C 13 173.636 0.1 . 1 . . . . 93 GLY C . 19345 1 417 . 1 1 93 93 GLY CA C 13 45.271 0.1 . 1 . . . . 93 GLY CA . 19345 1 418 . 1 1 93 93 GLY N N 15 110.764 0.07 . 1 . . . . 93 GLY N . 19345 1 419 . 1 1 94 94 PHE H H 1 8.115 0.02 . 1 . . . . 94 PHE H . 19345 1 420 . 1 1 94 94 PHE C C 13 175.492 0.1 . 1 . . . . 94 PHE C . 19345 1 421 . 1 1 94 94 PHE CA C 13 57.842 0.1 . 1 . . . . 94 PHE CA . 19345 1 422 . 1 1 94 94 PHE CB C 13 39.787 0.1 . 1 . . . . 94 PHE CB . 19345 1 423 . 1 1 94 94 PHE N N 15 120.367 0.07 . 1 . . . . 94 PHE N . 19345 1 424 . 1 1 95 95 VAL H H 1 8.079 0.02 . 1 . . . . 95 VAL H . 19345 1 425 . 1 1 95 95 VAL C C 13 175.433 0.1 . 1 . . . . 95 VAL C . 19345 1 426 . 1 1 95 95 VAL CA C 13 62.114 0.1 . 1 . . . . 95 VAL CA . 19345 1 427 . 1 1 95 95 VAL CB C 13 33.039 0.1 . 1 . . . . 95 VAL CB . 19345 1 428 . 1 1 95 95 VAL N N 15 123.823 0.07 . 1 . . . . 95 VAL N . 19345 1 429 . 1 1 96 96 LYS H H 1 8.423 0.02 . 1 . . . . 96 LYS H . 19345 1 430 . 1 1 96 96 LYS C C 13 176.491 0.1 . 1 . . . . 96 LYS C . 19345 1 431 . 1 1 96 96 LYS CA C 13 56.424 0.1 . 1 . . . . 96 LYS CA . 19345 1 432 . 1 1 96 96 LYS CB C 13 33.079 0.1 . 1 . . . . 96 LYS CB . 19345 1 433 . 1 1 96 96 LYS N N 15 126.493 0.07 . 1 . . . . 96 LYS N . 19345 1 434 . 1 1 97 97 LYS H H 1 8.490 0.02 . 1 . . . . 97 LYS H . 19345 1 435 . 1 1 97 97 LYS C C 13 176.394 0.1 . 1 . . . . 97 LYS C . 19345 1 436 . 1 1 97 97 LYS CA C 13 56.507 0.1 . 1 . . . . 97 LYS CA . 19345 1 437 . 1 1 97 97 LYS CB C 13 33.160 0.1 . 1 . . . . 97 LYS CB . 19345 1 438 . 1 1 97 97 LYS N N 15 123.812 0.07 . 1 . . . . 97 LYS N . 19345 1 439 . 1 1 98 98 ASP H H 1 8.433 0.02 . 1 . . . . 98 ASP H . 19345 1 440 . 1 1 98 98 ASP C C 13 176.244 0.1 . 1 . . . . 98 ASP C . 19345 1 441 . 1 1 98 98 ASP CA C 13 54.555 0.1 . 1 . . . . 98 ASP CA . 19345 1 442 . 1 1 98 98 ASP CB C 13 41.128 0.1 . 1 . . . . 98 ASP CB . 19345 1 443 . 1 1 98 98 ASP N N 15 121.284 0.07 . 1 . . . . 98 ASP N . 19345 1 444 . 1 1 99 99 GLN H H 1 8.370 0.02 . 1 . . . . 99 GLN H . 19345 1 445 . 1 1 99 99 GLN C C 13 176.051 0.1 . 1 . . . . 99 GLN C . 19345 1 446 . 1 1 99 99 GLN CA C 13 55.867 0.1 . 1 . . . . 99 GLN CA . 19345 1 447 . 1 1 99 99 GLN CB C 13 29.489 0.1 . 1 . . . . 99 GLN CB . 19345 1 448 . 1 1 99 99 GLN N N 15 120.240 0.07 . 1 . . . . 99 GLN N . 19345 1 449 . 1 1 100 100 LEU H H 1 8.323 0.02 . 1 . . . . 100 LEU H . 19345 1 450 . 1 1 100 100 LEU C C 13 178.023 0.1 . 1 . . . . 100 LEU C . 19345 1 451 . 1 1 100 100 LEU CA C 13 55.500 0.1 . 1 . . . . 100 LEU CA . 19345 1 452 . 1 1 100 100 LEU CB C 13 42.323 0.1 . 1 . . . . 100 LEU CB . 19345 1 453 . 1 1 100 100 LEU N N 15 122.927 0.07 . 1 . . . . 100 LEU N . 19345 1 454 . 1 1 101 101 GLY H H 1 8.505 0.02 . 1 . . . . 101 GLY H . 19345 1 455 . 1 1 101 101 GLY C C 13 174.053 0.1 . 1 . . . . 101 GLY C . 19345 1 456 . 1 1 101 101 GLY CA C 13 45.376 0.1 . 1 . . . . 101 GLY CA . 19345 1 457 . 1 1 101 101 GLY N N 15 109.877 0.07 . 1 . . . . 101 GLY N . 19345 1 458 . 1 1 102 102 LYS H H 1 8.234 0.02 . 1 . . . . 102 LYS H . 19345 1 459 . 1 1 102 102 LYS C C 13 176.486 0.1 . 1 . . . . 102 LYS C . 19345 1 460 . 1 1 102 102 LYS CA C 13 56.308 0.1 . 1 . . . . 102 LYS CA . 19345 1 461 . 1 1 102 102 LYS CB C 13 33.174 0.1 . 1 . . . . 102 LYS CB . 19345 1 462 . 1 1 102 102 LYS N N 15 120.814 0.07 . 1 . . . . 102 LYS N . 19345 1 463 . 1 1 103 103 ASN H H 1 8.642 0.02 . 1 . . . . 103 ASN H . 19345 1 464 . 1 1 103 103 ASN C C 13 175.315 0.1 . 1 . . . . 103 ASN C . 19345 1 465 . 1 1 103 103 ASN CA C 13 53.360 0.1 . 1 . . . . 103 ASN CA . 19345 1 466 . 1 1 103 103 ASN CB C 13 38.856 0.1 . 1 . . . . 103 ASN CB . 19345 1 467 . 1 1 103 103 ASN N N 15 120.078 0.07 . 1 . . . . 103 ASN N . 19345 1 468 . 1 1 104 104 GLU H H 1 8.505 0.02 . 1 . . . . 104 GLU H . 19345 1 469 . 1 1 104 104 GLU C C 13 176.572 0.1 . 1 . . . . 104 GLU C . 19345 1 470 . 1 1 104 104 GLU CA C 13 56.866 0.1 . 1 . . . . 104 GLU CA . 19345 1 471 . 1 1 104 104 GLU CB C 13 30.131 0.1 . 1 . . . . 104 GLU CB . 19345 1 472 . 1 1 104 104 GLU N N 15 121.505 0.07 . 1 . . . . 104 GLU N . 19345 1 473 . 1 1 105 105 GLU H H 1 8.497 0.02 . 1 . . . . 105 GLU H . 19345 1 474 . 1 1 105 105 GLU C C 13 176.997 0.1 . 1 . . . . 105 GLU C . 19345 1 475 . 1 1 105 105 GLU N N 15 122.017 0.07 . 1 . . . . 105 GLU N . 19345 1 476 . 1 1 106 106 GLY C C 13 173.463 0.1 . 1 . . . . 106 GLY C . 19345 1 477 . 1 1 106 106 GLY CA C 13 45.072 0.1 . 1 . . . . 106 GLY CA . 19345 1 478 . 1 1 107 107 ALA H H 1 8.148 0.02 . 1 . . . . 107 ALA H . 19345 1 479 . 1 1 107 107 ALA C C 13 175.592 0.1 . 1 . . . . 107 ALA C . 19345 1 480 . 1 1 107 107 ALA CA C 13 50.571 0.1 . 1 . . . . 107 ALA CA . 19345 1 481 . 1 1 107 107 ALA CB C 13 18.138 0.1 . 1 . . . . 107 ALA CB . 19345 1 482 . 1 1 107 107 ALA N N 15 125.010 0.07 . 1 . . . . 107 ALA N . 19345 1 483 . 1 1 108 108 PRO C C 13 177.089 0.1 . 1 . . . . 108 PRO C . 19345 1 484 . 1 1 108 108 PRO CA C 13 63.107 0.1 . 1 . . . . 108 PRO CA . 19345 1 485 . 1 1 108 108 PRO CB C 13 32.083 0.1 . 1 . . . . 108 PRO CB . 19345 1 486 . 1 1 109 109 GLN H H 1 8.612 0.02 . 1 . . . . 109 GLN H . 19345 1 487 . 1 1 109 109 GLN C C 13 176.006 0.1 . 1 . . . . 109 GLN C . 19345 1 488 . 1 1 109 109 GLN CA C 13 55.822 0.1 . 1 . . . . 109 GLN CA . 19345 1 489 . 1 1 109 109 GLN CB C 13 29.613 0.1 . 1 . . . . 109 GLN CB . 19345 1 490 . 1 1 109 109 GLN N N 15 121.266 0.07 . 1 . . . . 109 GLN N . 19345 1 491 . 1 1 110 110 GLU H H 1 8.550 0.02 . 1 . . . . 110 GLU H . 19345 1 492 . 1 1 110 110 GLU C C 13 176.872 0.1 . 1 . . . . 110 GLU C . 19345 1 493 . 1 1 110 110 GLU CA C 13 56.587 0.1 . 1 . . . . 110 GLU CA . 19345 1 494 . 1 1 110 110 GLU CB C 13 30.529 0.1 . 1 . . . . 110 GLU CB . 19345 1 495 . 1 1 110 110 GLU N N 15 122.621 0.07 . 1 . . . . 110 GLU N . 19345 1 496 . 1 1 111 111 GLY H H 1 8.512 0.02 . 1 . . . . 111 GLY H . 19345 1 497 . 1 1 111 111 GLY C C 13 173.780 0.1 . 1 . . . . 111 GLY C . 19345 1 498 . 1 1 111 111 GLY CA C 13 45.313 0.1 . 1 . . . . 111 GLY CA . 19345 1 499 . 1 1 111 111 GLY N N 15 110.318 0.07 . 1 . . . . 111 GLY N . 19345 1 500 . 1 1 112 112 ILE H H 1 8.022 0.02 . 1 . . . . 112 ILE H . 19345 1 501 . 1 1 112 112 ILE C C 13 176.279 0.1 . 1 . . . . 112 ILE C . 19345 1 502 . 1 1 112 112 ILE CA C 13 60.962 0.1 . 1 . . . . 112 ILE CA . 19345 1 503 . 1 1 112 112 ILE CB C 13 38.618 0.1 . 1 . . . . 112 ILE CB . 19345 1 504 . 1 1 112 112 ILE N N 15 120.225 0.07 . 1 . . . . 112 ILE N . 19345 1 505 . 1 1 113 113 LEU H H 1 8.439 0.02 . 1 . . . . 113 LEU H . 19345 1 506 . 1 1 113 113 LEU C C 13 177.160 0.1 . 1 . . . . 113 LEU C . 19345 1 507 . 1 1 113 113 LEU CA C 13 55.052 0.1 . 1 . . . . 113 LEU CA . 19345 1 508 . 1 1 113 113 LEU CB C 13 42.333 0.1 . 1 . . . . 113 LEU CB . 19345 1 509 . 1 1 113 113 LEU N N 15 127.136 0.07 . 1 . . . . 113 LEU N . 19345 1 510 . 1 1 114 114 GLU H H 1 8.450 0.02 . 1 . . . . 114 GLU H . 19345 1 511 . 1 1 114 114 GLU C C 13 175.891 0.1 . 1 . . . . 114 GLU C . 19345 1 512 . 1 1 114 114 GLU CA C 13 56.467 0.1 . 1 . . . . 114 GLU CA . 19345 1 513 . 1 1 114 114 GLU CB C 13 30.722 0.1 . 1 . . . . 114 GLU CB . 19345 1 514 . 1 1 114 114 GLU N N 15 122.347 0.07 . 1 . . . . 114 GLU N . 19345 1 515 . 1 1 115 115 ASP H H 1 8.388 0.02 . 1 . . . . 115 ASP H . 19345 1 516 . 1 1 115 115 ASP C C 13 175.809 0.1 . 1 . . . . 115 ASP C . 19345 1 517 . 1 1 115 115 ASP CA C 13 54.376 0.1 . 1 . . . . 115 ASP CA . 19345 1 518 . 1 1 115 115 ASP CB C 13 41.149 0.1 . 1 . . . . 115 ASP CB . 19345 1 519 . 1 1 115 115 ASP N N 15 121.517 0.07 . 1 . . . . 115 ASP N . 19345 1 520 . 1 1 116 116 MET H H 1 8.284 0.02 . 1 . . . . 116 MET H . 19345 1 521 . 1 1 116 116 MET C C 13 174.093 0.1 . 1 . . . . 116 MET C . 19345 1 522 . 1 1 116 116 MET CA C 13 53.240 0.1 . 1 . . . . 116 MET CA . 19345 1 523 . 1 1 116 116 MET CB C 13 32.542 0.1 . 1 . . . . 116 MET CB . 19345 1 524 . 1 1 116 116 MET N N 15 122.089 0.07 . 1 . . . . 116 MET N . 19345 1 525 . 1 1 117 117 PRO C C 13 176.747 0.1 . 1 . . . . 117 PRO C . 19345 1 526 . 1 1 117 117 PRO CA C 13 63.000 0.1 . 1 . . . . 117 PRO CA . 19345 1 527 . 1 1 117 117 PRO CB C 13 32.160 0.1 . 1 . . . . 117 PRO CB . 19345 1 528 . 1 1 118 118 VAL H H 1 8.327 0.02 . 1 . . . . 118 VAL H . 19345 1 529 . 1 1 118 118 VAL C C 13 175.795 0.1 . 1 . . . . 118 VAL C . 19345 1 530 . 1 1 118 118 VAL CA C 13 61.965 0.1 . 1 . . . . 118 VAL CA . 19345 1 531 . 1 1 118 118 VAL CB C 13 33.071 0.1 . 1 . . . . 118 VAL CB . 19345 1 532 . 1 1 118 118 VAL N N 15 120.921 0.07 . 1 . . . . 118 VAL N . 19345 1 533 . 1 1 119 119 ASP H H 1 8.544 0.02 . 1 . . . . 119 ASP H . 19345 1 534 . 1 1 119 119 ASP C C 13 174.733 0.1 . 1 . . . . 119 ASP C . 19345 1 535 . 1 1 119 119 ASP CA C 13 52.258 0.1 . 1 . . . . 119 ASP CA . 19345 1 536 . 1 1 119 119 ASP CB C 13 41.079 0.1 . 1 . . . . 119 ASP CB . 19345 1 537 . 1 1 119 119 ASP N N 15 126.065 0.07 . 1 . . . . 119 ASP N . 19345 1 538 . 1 1 120 120 PRO C C 13 176.949 0.1 . 1 . . . . 120 PRO C . 19345 1 539 . 1 1 120 120 PRO CA C 13 63.558 0.1 . 1 . . . . 120 PRO CA . 19345 1 540 . 1 1 120 120 PRO CB C 13 32.235 0.1 . 1 . . . . 120 PRO CB . 19345 1 541 . 1 1 121 121 ASP H H 1 8.411 0.02 . 1 . . . . 121 ASP H . 19345 1 542 . 1 1 121 121 ASP C C 13 176.210 0.1 . 1 . . . . 121 ASP C . 19345 1 543 . 1 1 121 121 ASP CA C 13 54.602 0.1 . 1 . . . . 121 ASP CA . 19345 1 544 . 1 1 121 121 ASP CB C 13 40.900 0.1 . 1 . . . . 121 ASP CB . 19345 1 545 . 1 1 121 121 ASP N N 15 119.398 0.07 . 1 . . . . 121 ASP N . 19345 1 546 . 1 1 122 122 ASN H H 1 8.141 0.02 . 1 . . . . 122 ASN H . 19345 1 547 . 1 1 122 122 ASN C C 13 175.400 0.1 . 1 . . . . 122 ASN C . 19345 1 548 . 1 1 122 122 ASN CA C 13 53.519 0.1 . 1 . . . . 122 ASN CA . 19345 1 549 . 1 1 122 122 ASN CB C 13 39.255 0.1 . 1 . . . . 122 ASN CB . 19345 1 550 . 1 1 122 122 ASN N N 15 119.195 0.07 . 1 . . . . 122 ASN N . 19345 1 551 . 1 1 123 123 GLU H H 1 8.410 0.02 . 1 . . . . 123 GLU H . 19345 1 552 . 1 1 123 123 GLU C C 13 176.092 0.1 . 1 . . . . 123 GLU C . 19345 1 553 . 1 1 123 123 GLU CA C 13 56.866 0.1 . 1 . . . . 123 GLU CA . 19345 1 554 . 1 1 123 123 GLU CB C 13 30.091 0.1 . 1 . . . . 123 GLU CB . 19345 1 555 . 1 1 123 123 GLU N N 15 121.865 0.07 . 1 . . . . 123 GLU N . 19345 1 556 . 1 1 124 124 ALA H H 1 8.253 0.02 . 1 . . . . 124 ALA H . 19345 1 557 . 1 1 124 124 ALA C C 13 177.217 0.1 . 1 . . . . 124 ALA C . 19345 1 558 . 1 1 124 124 ALA CA C 13 52.483 0.1 . 1 . . . . 124 ALA CA . 19345 1 559 . 1 1 124 124 ALA CB C 13 18.975 0.1 . 1 . . . . 124 ALA CB . 19345 1 560 . 1 1 124 124 ALA N N 15 124.516 0.07 . 1 . . . . 124 ALA N . 19345 1 561 . 1 1 125 125 TYR H H 1 8.055 0.02 . 1 . . . . 125 TYR H . 19345 1 562 . 1 1 125 125 TYR C C 13 175.362 0.1 . 1 . . . . 125 TYR C . 19345 1 563 . 1 1 125 125 TYR CA C 13 57.821 0.1 . 1 . . . . 125 TYR CA . 19345 1 564 . 1 1 125 125 TYR CB C 13 39.037 0.1 . 1 . . . . 125 TYR CB . 19345 1 565 . 1 1 125 125 TYR N N 15 120.102 0.07 . 1 . . . . 125 TYR N . 19345 1 566 . 1 1 126 126 GLU H H 1 8.165 0.02 . 1 . . . . 126 GLU H . 19345 1 567 . 1 1 126 126 GLU C C 13 175.464 0.1 . 1 . . . . 126 GLU C . 19345 1 568 . 1 1 126 126 GLU CA C 13 55.730 0.1 . 1 . . . . 126 GLU CA . 19345 1 569 . 1 1 126 126 GLU CB C 13 30.803 0.1 . 1 . . . . 126 GLU CB . 19345 1 570 . 1 1 126 126 GLU N N 15 123.916 0.07 . 1 . . . . 126 GLU N . 19345 1 571 . 1 1 127 127 MET H H 1 8.449 0.02 . 1 . . . . 127 MET H . 19345 1 572 . 1 1 127 127 MET C C 13 174.272 0.1 . 1 . . . . 127 MET C . 19345 1 573 . 1 1 127 127 MET CA C 13 53.298 0.1 . 1 . . . . 127 MET CA . 19345 1 574 . 1 1 127 127 MET CB C 13 32.442 0.1 . 1 . . . . 127 MET CB . 19345 1 575 . 1 1 127 127 MET N N 15 123.977 0.07 . 1 . . . . 127 MET N . 19345 1 576 . 1 1 128 128 PRO C C 13 176.915 0.1 . 1 . . . . 128 PRO C . 19345 1 577 . 1 1 128 128 PRO CA C 13 63.082 0.1 . 1 . . . . 128 PRO CA . 19345 1 578 . 1 1 128 128 PRO CB C 13 32.241 0.1 . 1 . . . . 128 PRO CB . 19345 1 579 . 1 1 129 129 SER H H 1 8.515 0.02 . 1 . . . . 129 SER H . 19345 1 580 . 1 1 129 129 SER C C 13 174.819 0.1 . 1 . . . . 129 SER C . 19345 1 581 . 1 1 129 129 SER CA C 13 58.306 0.1 . 1 . . . . 129 SER CA . 19345 1 582 . 1 1 129 129 SER CB C 13 63.991 0.1 . 1 . . . . 129 SER CB . 19345 1 583 . 1 1 129 129 SER N N 15 116.862 0.07 . 1 . . . . 129 SER N . 19345 1 584 . 1 1 130 130 GLU H H 1 8.603 0.02 . 1 . . . . 130 GLU H . 19345 1 585 . 1 1 130 130 GLU C C 13 176.547 0.1 . 1 . . . . 130 GLU C . 19345 1 586 . 1 1 130 130 GLU CA C 13 56.637 0.1 . 1 . . . . 130 GLU CA . 19345 1 587 . 1 1 130 130 GLU CB C 13 30.171 0.1 . 1 . . . . 130 GLU CB . 19345 1 588 . 1 1 130 130 GLU N N 15 123.288 0.07 . 1 . . . . 130 GLU N . 19345 1 589 . 1 1 131 131 GLU C C 13 177.027 0.1 . 1 . . . . 131 GLU C . 19345 1 590 . 1 1 131 131 GLU CA C 13 56.846 0.1 . 1 . . . . 131 GLU CA . 19345 1 591 . 1 1 131 131 GLU CB C 13 30.210 0.1 . 1 . . . . 131 GLU CB . 19345 1 592 . 1 1 132 132 GLY H H 1 8.463 0.02 . 1 . . . . 132 GLY H . 19345 1 593 . 1 1 132 132 GLY C C 13 173.864 0.1 . 1 . . . . 132 GLY C . 19345 1 594 . 1 1 132 132 GLY CA C 13 45.192 0.1 . 1 . . . . 132 GLY CA . 19345 1 595 . 1 1 132 132 GLY N N 15 110.090 0.07 . 1 . . . . 132 GLY N . 19345 1 596 . 1 1 133 133 TYR H H 1 8.089 0.02 . 1 . . . . 133 TYR H . 19345 1 597 . 1 1 133 133 TYR C C 13 175.768 0.1 . 1 . . . . 133 TYR C . 19345 1 598 . 1 1 133 133 TYR CA C 13 58.143 0.1 . 1 . . . . 133 TYR CA . 19345 1 599 . 1 1 133 133 TYR CB C 13 38.854 0.1 . 1 . . . . 133 TYR CB . 19345 1 600 . 1 1 133 133 TYR N N 15 120.404 0.07 . 1 . . . . 133 TYR N . 19345 1 601 . 1 1 134 134 GLN H H 1 8.249 0.02 . 1 . . . . 134 GLN H . 19345 1 602 . 1 1 134 134 GLN C C 13 174.891 0.1 . 1 . . . . 134 GLN C . 19345 1 603 . 1 1 134 134 GLN CA C 13 55.451 0.1 . 1 . . . . 134 GLN CA . 19345 1 604 . 1 1 134 134 GLN CB C 13 29.851 0.1 . 1 . . . . 134 GLN CB . 19345 1 605 . 1 1 134 134 GLN N N 15 122.815 0.07 . 1 . . . . 134 GLN N . 19345 1 606 . 1 1 135 135 ASP H H 1 8.260 0.02 . 1 . . . . 135 ASP H . 19345 1 607 . 1 1 135 135 ASP C C 13 175.543 0.1 . 1 . . . . 135 ASP C . 19345 1 608 . 1 1 135 135 ASP CA C 13 54.274 0.1 . 1 . . . . 135 ASP CA . 19345 1 609 . 1 1 135 135 ASP CB C 13 41.219 0.1 . 1 . . . . 135 ASP CB . 19345 1 610 . 1 1 135 135 ASP N N 15 121.779 0.07 . 1 . . . . 135 ASP N . 19345 1 611 . 1 1 136 136 TYR H H 1 8.063 0.02 . 1 . . . . 136 TYR H . 19345 1 612 . 1 1 136 136 TYR C C 13 175.105 0.1 . 1 . . . . 136 TYR C . 19345 1 613 . 1 1 136 136 TYR CA C 13 57.669 0.1 . 1 . . . . 136 TYR CA . 19345 1 614 . 1 1 136 136 TYR CB C 13 39.095 0.1 . 1 . . . . 136 TYR CB . 19345 1 615 . 1 1 136 136 TYR N N 15 120.556 0.07 . 1 . . . . 136 TYR N . 19345 1 616 . 1 1 137 137 GLU H H 1 8.280 0.02 . 1 . . . . 137 GLU H . 19345 1 617 . 1 1 137 137 GLU C C 13 173.735 0.1 . 1 . . . . 137 GLU C . 19345 1 618 . 1 1 137 137 GLU CA C 13 53.638 0.1 . 1 . . . . 137 GLU CA . 19345 1 619 . 1 1 137 137 GLU CB C 13 30.170 0.1 . 1 . . . . 137 GLU CB . 19345 1 620 . 1 1 137 137 GLU N N 15 125.507 0.07 . 1 . . . . 137 GLU N . 19345 1 621 . 1 1 138 138 PRO C C 13 176.899 0.1 . 1 . . . . 138 PRO C . 19345 1 622 . 1 1 138 138 PRO CA C 13 62.964 0.1 . 1 . . . . 138 PRO CA . 19345 1 623 . 1 1 138 138 PRO CB C 13 32.321 0.1 . 1 . . . . 138 PRO CB . 19345 1 624 . 1 1 139 139 GLU H H 1 8.549 0.02 . 1 . . . . 139 GLU H . 19345 1 625 . 1 1 139 139 GLU C C 13 175.431 0.1 . 1 . . . . 139 GLU C . 19345 1 626 . 1 1 139 139 GLU CA C 13 56.614 0.1 . 1 . . . . 139 GLU CA . 19345 1 627 . 1 1 139 139 GLU CB C 13 30.341 0.1 . 1 . . . . 139 GLU CB . 19345 1 628 . 1 1 139 139 GLU N N 15 121.691 0.07 . 1 . . . . 139 GLU N . 19345 1 629 . 1 1 140 140 ALA H H 1 8.019 0.02 . 1 . . . . 140 ALA H . 19345 1 630 . 1 1 140 140 ALA CA C 13 53.890 0.1 . 1 . . . . 140 ALA CA . 19345 1 631 . 1 1 140 140 ALA CB C 13 20.169 0.1 . 1 . . . . 140 ALA CB . 19345 1 632 . 1 1 140 140 ALA N N 15 130.996 0.07 . 1 . . . . 140 ALA N . 19345 1 stop_ save_