data_16302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16302 _Entry.Title ; SLAS-bound alpha-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-14 _Entry.Accession_date 2009-05-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Jampani Nageswara' Rao . . . 16302 2 Yujin Kim . E. . 16302 3 Leena Park . S. . 16302 4 Tobias Ulmer . S. . 16302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 16302 '15N chemical shifts' 133 16302 '1H chemical shifts' 133 16302 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-04-09 2009-05-14 update author 'add related PDB entry' 16302 2 . . 2009-06-24 2009-05-14 update BMRB 'complete entry citation' 16302 1 . . 2009-06-03 2009-05-14 original author 'original release' 16302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16300 'free aS' 16302 BMRB 16301 'free SaS' 16302 BMRB 16303 SaS-SLAS 16302 BMRB 16304 bS-SLAS 16302 PDB 2KKW structure 16302 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16302 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19481090 _Citation.Full_citation . _Citation.Title 'Effect of Pseudorepeat Rearrangement on alpha-Synuclein Misfolding, Vesicle Binding, and Micelle Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 390 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 516 _Citation.Page_last 529 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jampani Nageswara' Rao . . . 16302 1 2 Yujin Kim . E. . 16302 1 3 Leena Park . S. . 16302 1 4 Tobias Ulmer . S. . 16302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16302 _Assembly.ID 1 _Assembly.Name monomer _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 monomer 1 $alpha-synuclein A . yes 'SLAS micelle-bound' no no . . . 16302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode alpha-synuclein _Entity.Entry_ID 16302 _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 no BMRB 16300 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 2 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 3 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 4 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 16302 1 5 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16302 1 6 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 16302 1 7 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 8 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 16302 1 9 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 16302 1 10 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 11 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 2.27e-87 . . . . 16302 1 12 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 16302 1 13 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 16302 1 14 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 5.32e-89 . . . . 16302 1 15 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 16302 1 16 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 16302 1 17 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 16302 1 18 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 16302 1 19 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 20 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 21 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 22 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 23 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 16302 1 24 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 100.00 4.55e-89 . . . . 16302 1 25 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 16302 1 26 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 27 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 16302 1 28 no BMRB 25227 . aSyn-WT . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 29 no BMRB 25228 . H50Q . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 16302 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 32 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 97.06 99.02 2.67e-56 . . . . 16302 1 33 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 34 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 35 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 36 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 37 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 38 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 98.57 98.57 5.92e-88 . . . . 16302 1 39 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 40 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 41 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 42 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 43 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 44 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 97.86 1.65e-86 . . . . 16302 1 45 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 99.29 99.29 1.99e-88 . . . . 16302 1 46 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 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" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 48 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 100.00 2.50e-89 . . . . 16302 1 49 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16302 1 50 no SP P61142 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 16302 1 51 no SP P61143 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 16302 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 . 16302 1 2 . ASP . 16302 1 3 . VAL . 16302 1 4 . PHE . 16302 1 5 . MET . 16302 1 6 . LYS . 16302 1 7 . GLY . 16302 1 8 . LEU . 16302 1 9 . SER . 16302 1 10 . LYS . 16302 1 11 . ALA . 16302 1 12 . LYS . 16302 1 13 . GLU . 16302 1 14 . GLY . 16302 1 15 . VAL . 16302 1 16 . VAL . 16302 1 17 . ALA . 16302 1 18 . ALA . 16302 1 19 . ALA . 16302 1 20 . GLU . 16302 1 21 . LYS . 16302 1 22 . THR . 16302 1 23 . LYS . 16302 1 24 . GLN . 16302 1 25 . GLY . 16302 1 26 . VAL . 16302 1 27 . ALA . 16302 1 28 . GLU . 16302 1 29 . ALA . 16302 1 30 . ALA . 16302 1 31 . GLY . 16302 1 32 . LYS . 16302 1 33 . THR . 16302 1 34 . LYS . 16302 1 35 . GLU . 16302 1 36 . GLY . 16302 1 37 . VAL . 16302 1 38 . LEU . 16302 1 39 . TYR . 16302 1 40 . VAL . 16302 1 41 . GLY . 16302 1 42 . SER . 16302 1 43 . LYS . 16302 1 44 . THR . 16302 1 45 . LYS . 16302 1 46 . GLU . 16302 1 47 . GLY . 16302 1 48 . VAL . 16302 1 49 . VAL . 16302 1 50 . HIS . 16302 1 51 . GLY . 16302 1 52 . VAL . 16302 1 53 . ALA . 16302 1 54 . THR . 16302 1 55 . VAL . 16302 1 56 . ALA . 16302 1 57 . GLU . 16302 1 58 . LYS . 16302 1 59 . THR . 16302 1 60 . LYS . 16302 1 61 . GLU . 16302 1 62 . GLN . 16302 1 63 . VAL . 16302 1 64 . THR . 16302 1 65 . ASN . 16302 1 66 . VAL . 16302 1 67 . GLY . 16302 1 68 . GLY . 16302 1 69 . ALA . 16302 1 70 . VAL . 16302 1 71 . VAL . 16302 1 72 . THR . 16302 1 73 . GLY . 16302 1 74 . VAL . 16302 1 75 . THR . 16302 1 76 . ALA . 16302 1 77 . VAL . 16302 1 78 . ALA . 16302 1 79 . GLN . 16302 1 80 . LYS . 16302 1 81 . THR . 16302 1 82 . VAL . 16302 1 83 . GLU . 16302 1 84 . GLY . 16302 1 85 . ALA . 16302 1 86 . GLY . 16302 1 87 . SER . 16302 1 88 . ILE . 16302 1 89 . ALA . 16302 1 90 . ALA . 16302 1 91 . ALA . 16302 1 92 . THR . 16302 1 93 . GLY . 16302 1 94 . PHE . 16302 1 95 . VAL . 16302 1 96 . LYS . 16302 1 97 . LYS . 16302 1 98 . ASP . 16302 1 99 . GLN . 16302 1 100 . LEU . 16302 1 101 . GLY . 16302 1 102 . LYS . 16302 1 103 . ASN . 16302 1 104 . GLU . 16302 1 105 . GLU . 16302 1 106 . GLY . 16302 1 107 . ALA . 16302 1 108 . PRO . 16302 1 109 . GLN . 16302 1 110 . GLU . 16302 1 111 . GLY . 16302 1 112 . ILE . 16302 1 113 . LEU . 16302 1 114 . GLU . 16302 1 115 . ASP . 16302 1 116 . MET . 16302 1 117 . PRO . 16302 1 118 . VAL . 16302 1 119 . ASP . 16302 1 120 . PRO . 16302 1 121 . ASP . 16302 1 122 . ASN . 16302 1 123 . GLU . 16302 1 124 . ALA . 16302 1 125 . TYR . 16302 1 126 . GLU . 16302 1 127 . MET . 16302 1 128 . PRO . 16302 1 129 . SER . 16302 1 130 . GLU . 16302 1 131 . GLU . 16302 1 132 . GLY . 16302 1 133 . TYR . 16302 1 134 . GLN . 16302 1 135 . ASP . 16302 1 136 . TYR . 16302 1 137 . GLU . 16302 1 138 . PRO . 16302 1 139 . GLU . 16302 1 140 . ALA . 16302 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 16302 1 . ASP 2 2 16302 1 . VAL 3 3 16302 1 . PHE 4 4 16302 1 . MET 5 5 16302 1 . LYS 6 6 16302 1 . GLY 7 7 16302 1 . LEU 8 8 16302 1 . SER 9 9 16302 1 . LYS 10 10 16302 1 . ALA 11 11 16302 1 . LYS 12 12 16302 1 . GLU 13 13 16302 1 . GLY 14 14 16302 1 . VAL 15 15 16302 1 . VAL 16 16 16302 1 . ALA 17 17 16302 1 . ALA 18 18 16302 1 . ALA 19 19 16302 1 . GLU 20 20 16302 1 . LYS 21 21 16302 1 . THR 22 22 16302 1 . LYS 23 23 16302 1 . GLN 24 24 16302 1 . GLY 25 25 16302 1 . VAL 26 26 16302 1 . ALA 27 27 16302 1 . GLU 28 28 16302 1 . ALA 29 29 16302 1 . ALA 30 30 16302 1 . GLY 31 31 16302 1 . LYS 32 32 16302 1 . THR 33 33 16302 1 . LYS 34 34 16302 1 . GLU 35 35 16302 1 . GLY 36 36 16302 1 . VAL 37 37 16302 1 . LEU 38 38 16302 1 . TYR 39 39 16302 1 . VAL 40 40 16302 1 . GLY 41 41 16302 1 . SER 42 42 16302 1 . LYS 43 43 16302 1 . THR 44 44 16302 1 . LYS 45 45 16302 1 . GLU 46 46 16302 1 . GLY 47 47 16302 1 . VAL 48 48 16302 1 . VAL 49 49 16302 1 . HIS 50 50 16302 1 . GLY 51 51 16302 1 . VAL 52 52 16302 1 . ALA 53 53 16302 1 . THR 54 54 16302 1 . VAL 55 55 16302 1 . ALA 56 56 16302 1 . GLU 57 57 16302 1 . LYS 58 58 16302 1 . THR 59 59 16302 1 . LYS 60 60 16302 1 . GLU 61 61 16302 1 . GLN 62 62 16302 1 . VAL 63 63 16302 1 . THR 64 64 16302 1 . ASN 65 65 16302 1 . VAL 66 66 16302 1 . GLY 67 67 16302 1 . GLY 68 68 16302 1 . ALA 69 69 16302 1 . VAL 70 70 16302 1 . VAL 71 71 16302 1 . THR 72 72 16302 1 . GLY 73 73 16302 1 . VAL 74 74 16302 1 . THR 75 75 16302 1 . ALA 76 76 16302 1 . VAL 77 77 16302 1 . ALA 78 78 16302 1 . GLN 79 79 16302 1 . LYS 80 80 16302 1 . THR 81 81 16302 1 . VAL 82 82 16302 1 . GLU 83 83 16302 1 . GLY 84 84 16302 1 . ALA 85 85 16302 1 . GLY 86 86 16302 1 . SER 87 87 16302 1 . ILE 88 88 16302 1 . ALA 89 89 16302 1 . ALA 90 90 16302 1 . ALA 91 91 16302 1 . THR 92 92 16302 1 . GLY 93 93 16302 1 . PHE 94 94 16302 1 . VAL 95 95 16302 1 . LYS 96 96 16302 1 . LYS 97 97 16302 1 . ASP 98 98 16302 1 . GLN 99 99 16302 1 . LEU 100 100 16302 1 . GLY 101 101 16302 1 . LYS 102 102 16302 1 . ASN 103 103 16302 1 . GLU 104 104 16302 1 . GLU 105 105 16302 1 . GLY 106 106 16302 1 . ALA 107 107 16302 1 . PRO 108 108 16302 1 . GLN 109 109 16302 1 . GLU 110 110 16302 1 . GLY 111 111 16302 1 . ILE 112 112 16302 1 . LEU 113 113 16302 1 . GLU 114 114 16302 1 . ASP 115 115 16302 1 . MET 116 116 16302 1 . PRO 117 117 16302 1 . VAL 118 118 16302 1 . ASP 119 119 16302 1 . PRO 120 120 16302 1 . ASP 121 121 16302 1 . ASN 122 122 16302 1 . GLU 123 123 16302 1 . ALA 124 124 16302 1 . TYR 125 125 16302 1 . GLU 126 126 16302 1 . MET 127 127 16302 1 . PRO 128 128 16302 1 . SER 129 129 16302 1 . GLU 130 130 16302 1 . GLU 131 131 16302 1 . GLY 132 132 16302 1 . TYR 133 133 16302 1 . GLN 134 134 16302 1 . ASP 135 135 16302 1 . TYR 136 136 16302 1 . GLU 137 137 16302 1 . PRO 138 138 16302 1 . GLU 139 139 16302 1 . ALA 140 140 16302 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 16302 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16302 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 16302 _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 . . . . . . . . . . . . . . . . pET-42 . . . . . . 16302 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16302 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 alpha-synuclein '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $alpha-synuclein . . 0.75 . . mM . . . . 16302 1 2 'sodium lauroyl sarcosinate' 'natural abundance' . . . . . . 75 . . mM . . . . 16302 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16302 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16302 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 16302 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM NaH2PO4/Na2HPO4, pH 7.4, 0.02% NaN3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 16302 1 pH 7.4 . pH 16302 1 pressure 1 . atm 16302 1 temperature 298.2 . K 16302 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16302 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16302 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16302 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 16302 _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 16302 _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 . . . 16302 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 16302 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16302 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16302 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16302 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16302 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 16302 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.771 internal indirect 0.25144954 . . . . . . . . . 16302 1 H 1 water protons . . . . ppm 4.771 internal direct 1 . . . . . . . . . 16302 1 N 15 water protons . . . . ppm 4.771 internal indirect 0.10132900 . . . . . . . . . 16302 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 16302 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 16302 1 2 '3D HNCA' . . . 16302 1 3 '3D HNCACB' . . . 16302 1 4 '3D HN(CO)CA' . . . 16302 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 8.373 0.020 . 1 . . . . 3 VAL H . 16302 1 2 . 1 1 3 3 VAL C C 13 176.748 0.3 . 1 . . . . 3 VAL C . 16302 1 3 . 1 1 3 3 VAL CA C 13 64.175 0.3 . 1 . . . . 3 VAL CA . 16302 1 4 . 1 1 3 3 VAL CB C 13 31.350 0.3 . 1 . . . . 3 VAL CB . 16302 1 5 . 1 1 3 3 VAL N N 15 119.319 0.3 . 1 . . . . 3 VAL N . 16302 1 6 . 1 1 4 4 PHE H H 1 8.150 0.020 . 1 . . . . 4 PHE H . 16302 1 7 . 1 1 4 4 PHE C C 13 176.748 0.3 . 1 . . . . 4 PHE C . 16302 1 8 . 1 1 4 4 PHE CA C 13 59.580 0.3 . 1 . . . . 4 PHE CA . 16302 1 9 . 1 1 4 4 PHE CB C 13 38.004 0.3 . 1 . . . . 4 PHE CB . 16302 1 10 . 1 1 4 4 PHE N N 15 121.120 0.3 . 1 . . . . 4 PHE N . 16302 1 11 . 1 1 5 5 MET H H 1 8.269 0.020 . 1 . . . . 5 MET H . 16302 1 12 . 1 1 5 5 MET C C 13 178.752 0.3 . 1 . . . . 5 MET C . 16302 1 13 . 1 1 5 5 MET CA C 13 56.667 0.3 . 1 . . . . 5 MET CA . 16302 1 14 . 1 1 5 5 MET CB C 13 30.445 0.3 . 1 . . . . 5 MET CB . 16302 1 15 . 1 1 5 5 MET N N 15 118.681 0.3 . 1 . . . . 5 MET N . 16302 1 16 . 1 1 6 6 LYS H H 1 8.312 0.020 . 1 . . . . 6 LYS H . 16302 1 17 . 1 1 6 6 LYS C C 13 179.114 0.3 . 1 . . . . 6 LYS C . 16302 1 18 . 1 1 6 6 LYS CA C 13 58.351 0.3 . 1 . . . . 6 LYS CA . 16302 1 19 . 1 1 6 6 LYS CB C 13 30.924 0.3 . 1 . . . . 6 LYS CB . 16302 1 20 . 1 1 6 6 LYS N N 15 121.040 0.3 . 1 . . . . 6 LYS N . 16302 1 21 . 1 1 7 7 GLY H H 1 8.290 0.020 . 1 . . . . 7 GLY H . 16302 1 22 . 1 1 7 7 GLY C C 13 175.016 0.3 . 1 . . . . 7 GLY C . 16302 1 23 . 1 1 7 7 GLY CA C 13 46.461 0.3 . 1 . . . . 7 GLY CA . 16302 1 24 . 1 1 7 7 GLY N N 15 108.714 0.3 . 1 . . . . 7 GLY N . 16302 1 25 . 1 1 8 8 LEU H H 1 8.308 0.020 . 1 . . . . 8 LEU H . 16302 1 26 . 1 1 8 8 LEU C C 13 178.440 0.3 . 1 . . . . 8 LEU C . 16302 1 27 . 1 1 8 8 LEU CA C 13 57.229 0.3 . 1 . . . . 8 LEU CA . 16302 1 28 . 1 1 8 8 LEU CB C 13 40.452 0.3 . 1 . . . . 8 LEU CB . 16302 1 29 . 1 1 8 8 LEU N N 15 122.169 0.3 . 1 . . . . 8 LEU N . 16302 1 30 . 1 1 9 9 SER H H 1 8.144 0.020 . 1 . . . . 9 SER H . 16302 1 31 . 1 1 9 9 SER C C 13 176.785 0.3 . 1 . . . . 9 SER C . 16302 1 32 . 1 1 9 9 SER CA C 13 61.504 0.3 . 1 . . . . 9 SER CA . 16302 1 33 . 1 1 9 9 SER N N 15 114.437 0.3 . 1 . . . . 9 SER N . 16302 1 34 . 1 1 10 10 LYS H H 1 7.865 0.020 . 1 . . . . 10 LYS H . 16302 1 35 . 1 1 10 10 LYS C C 13 178.954 0.3 . 1 . . . . 10 LYS C . 16302 1 36 . 1 1 10 10 LYS CA C 13 57.816 0.3 . 1 . . . . 10 LYS CA . 16302 1 37 . 1 1 10 10 LYS CB C 13 30.871 0.3 . 1 . . . . 10 LYS CB . 16302 1 38 . 1 1 10 10 LYS N N 15 122.041 0.3 . 1 . . . . 10 LYS N . 16302 1 39 . 1 1 11 11 ALA H H 1 8.226 0.020 . 1 . . . . 11 ALA H . 16302 1 40 . 1 1 11 11 ALA C C 13 178.661 0.3 . 1 . . . . 11 ALA C . 16302 1 41 . 1 1 11 11 ALA CA C 13 54.396 0.3 . 1 . . . . 11 ALA CA . 16302 1 42 . 1 1 11 11 ALA CB C 13 17.138 0.3 . 1 . . . . 11 ALA CB . 16302 1 43 . 1 1 11 11 ALA N N 15 122.974 0.3 . 1 . . . . 11 ALA N . 16302 1 44 . 1 1 12 12 LYS H H 1 8.290 0.020 . 1 . . . . 12 LYS H . 16302 1 45 . 1 1 12 12 LYS C C 13 177.817 0.3 . 1 . . . . 12 LYS C . 16302 1 46 . 1 1 12 12 LYS CA C 13 59.794 0.3 . 1 . . . . 12 LYS CA . 16302 1 47 . 1 1 12 12 LYS CB C 13 30.978 0.3 . 1 . . . . 12 LYS CB . 16302 1 48 . 1 1 12 12 LYS N N 15 118.159 0.3 . 1 . . . . 12 LYS N . 16302 1 49 . 1 1 13 13 GLU H H 1 8.010 0.020 . 1 . . . . 13 GLU H . 16302 1 50 . 1 1 13 13 GLU C C 13 179.753 0.3 . 1 . . . . 13 GLU C . 16302 1 51 . 1 1 13 13 GLU CA C 13 58.805 0.3 . 1 . . . . 13 GLU CA . 16302 1 52 . 1 1 13 13 GLU CB C 13 28.423 0.3 . 1 . . . . 13 GLU CB . 16302 1 53 . 1 1 13 13 GLU N N 15 117.638 0.3 . 1 . . . . 13 GLU N . 16302 1 54 . 1 1 14 14 GLY H H 1 8.234 0.020 . 1 . . . . 14 GLY H . 16302 1 55 . 1 1 14 14 GLY C C 13 175.693 0.3 . 1 . . . . 14 GLY C . 16302 1 56 . 1 1 14 14 GLY CA C 13 46.541 0.3 . 1 . . . . 14 GLY CA . 16302 1 57 . 1 1 14 14 GLY N N 15 107.994 0.3 . 1 . . . . 14 GLY N . 16302 1 58 . 1 1 15 15 VAL H H 1 8.273 0.020 . 1 . . . . 15 VAL H . 16302 1 59 . 1 1 15 15 VAL C C 13 177.215 0.3 . 1 . . . . 15 VAL C . 16302 1 60 . 1 1 15 15 VAL CA C 13 66.233 0.3 . 1 . . . . 15 VAL CA . 16302 1 61 . 1 1 15 15 VAL CB C 13 30.871 0.3 . 1 . . . . 15 VAL CB . 16302 1 62 . 1 1 15 15 VAL N N 15 122.881 0.3 . 1 . . . . 15 VAL N . 16302 1 63 . 1 1 16 16 VAL H H 1 8.150 0.020 . 1 . . . . 16 VAL H . 16302 1 64 . 1 1 16 16 VAL C C 13 178.284 0.3 . 1 . . . . 16 VAL C . 16302 1 65 . 1 1 16 16 VAL CA C 13 66.393 0.3 . 1 . . . . 16 VAL CA . 16302 1 66 . 1 1 16 16 VAL CB C 13 30.871 0.3 . 1 . . . . 16 VAL CB . 16302 1 67 . 1 1 16 16 VAL N N 15 120.400 0.3 . 1 . . . . 16 VAL N . 16302 1 68 . 1 1 17 17 ALA H H 1 7.960 0.020 . 1 . . . . 17 ALA H . 16302 1 69 . 1 1 17 17 ALA C C 13 180.441 0.3 . 1 . . . . 17 ALA C . 16302 1 70 . 1 1 17 17 ALA CA C 13 54.263 0.3 . 1 . . . . 17 ALA CA . 16302 1 71 . 1 1 17 17 ALA CB C 13 17.191 0.3 . 1 . . . . 17 ALA CB . 16302 1 72 . 1 1 17 17 ALA N N 15 121.760 0.3 . 1 . . . . 17 ALA N . 16302 1 73 . 1 1 18 18 ALA H H 1 8.060 0.020 . 1 . . . . 18 ALA H . 16302 1 74 . 1 1 18 18 ALA C C 13 179.919 0.3 . 1 . . . . 18 ALA C . 16302 1 75 . 1 1 18 18 ALA CA C 13 54.102 0.3 . 1 . . . . 18 ALA CA . 16302 1 76 . 1 1 18 18 ALA CB C 13 17.298 0.3 . 1 . . . . 18 ALA CB . 16302 1 77 . 1 1 18 18 ALA N N 15 121.440 0.3 . 1 . . . . 18 ALA N . 16302 1 78 . 1 1 19 19 ALA H H 1 8.508 0.020 . 1 . . . . 19 ALA H . 16302 1 79 . 1 1 19 19 ALA C C 13 179.326 0.3 . 1 . . . . 19 ALA C . 16302 1 80 . 1 1 19 19 ALA CA C 13 54.583 0.3 . 1 . . . . 19 ALA CA . 16302 1 81 . 1 1 19 19 ALA CB C 13 17.298 0.3 . 1 . . . . 19 ALA CB . 16302 1 82 . 1 1 19 19 ALA N N 15 122.961 0.3 . 1 . . . . 19 ALA N . 16302 1 83 . 1 1 20 20 GLU H H 1 8.239 0.020 . 1 . . . . 20 GLU H . 16302 1 84 . 1 1 20 20 GLU C C 13 178.874 0.3 . 1 . . . . 20 GLU C . 16302 1 85 . 1 1 20 20 GLU CA C 13 58.728 0.3 . 1 . . . . 20 GLU CA . 16302 1 86 . 1 1 20 20 GLU CB C 13 28.423 0.3 . 1 . . . . 20 GLU CB . 16302 1 87 . 1 1 20 20 GLU N N 15 119.039 0.3 . 1 . . . . 20 GLU N . 16302 1 88 . 1 1 21 21 LYS H H 1 7.960 0.020 . 1 . . . . 21 LYS H . 16302 1 89 . 1 1 21 21 LYS C C 13 178.994 0.3 . 1 . . . . 21 LYS C . 16302 1 90 . 1 1 21 21 LYS CA C 13 58.244 0.3 . 1 . . . . 21 LYS CA . 16302 1 91 . 1 1 21 21 LYS CB C 13 31.350 0.3 . 1 . . . . 21 LYS CB . 16302 1 92 . 1 1 21 21 LYS N N 15 119.359 0.3 . 1 . . . . 21 LYS N . 16302 1 93 . 1 1 22 22 THR H H 1 7.988 0.020 . 1 . . . . 22 THR H . 16302 1 94 . 1 1 22 22 THR C C 13 175.787 0.3 . 1 . . . . 22 THR C . 16302 1 95 . 1 1 22 22 THR CA C 13 65.030 0.3 . 1 . . . . 22 THR CA . 16302 1 96 . 1 1 22 22 THR CB C 13 68.078 0.3 . 1 . . . . 22 THR CB . 16302 1 97 . 1 1 22 22 THR N N 15 115.517 0.3 . 1 . . . . 22 THR N . 16302 1 98 . 1 1 23 23 LYS H H 1 8.128 0.020 . 1 . . . . 23 LYS H . 16302 1 99 . 1 1 23 23 LYS C C 13 177.996 0.3 . 1 . . . . 23 LYS C . 16302 1 100 . 1 1 23 23 LYS CA C 13 58.671 0.3 . 1 . . . . 23 LYS CA . 16302 1 101 . 1 1 23 23 LYS CB C 13 31.244 0.3 . 1 . . . . 23 LYS CB . 16302 1 102 . 1 1 23 23 LYS N N 15 122.081 0.3 . 1 . . . . 23 LYS N . 16302 1 103 . 1 1 24 24 GLN H H 1 8.038 0.020 . 1 . . . . 24 GLN H . 16302 1 104 . 1 1 24 24 GLN C C 13 177.717 0.3 . 1 . . . . 24 GLN C . 16302 1 105 . 1 1 24 24 GLN CA C 13 57.122 0.3 . 1 . . . . 24 GLN CA . 16302 1 106 . 1 1 24 24 GLN CB C 13 27.731 0.3 . 1 . . . . 24 GLN CB . 16302 1 107 . 1 1 24 24 GLN N N 15 118.719 0.3 . 1 . . . . 24 GLN N . 16302 1 108 . 1 1 25 25 GLY H H 1 8.195 0.020 . 1 . . . . 25 GLY H . 16302 1 109 . 1 1 25 25 GLY C C 13 175.561 0.3 . 1 . . . . 25 GLY C . 16302 1 110 . 1 1 25 25 GLY CA C 13 45.900 0.3 . 1 . . . . 25 GLY CA . 16302 1 111 . 1 1 25 25 GLY N N 15 108.794 0.3 . 1 . . . . 25 GLY N . 16302 1 112 . 1 1 26 26 VAL H H 1 8.166 0.020 . 1 . . . . 26 VAL H . 16302 1 113 . 1 1 26 26 VAL C C 13 176.798 0.3 . 1 . . . . 26 VAL C . 16302 1 114 . 1 1 26 26 VAL CA C 13 64.256 0.3 . 1 . . . . 26 VAL CA . 16302 1 115 . 1 1 26 26 VAL CB C 13 31.350 0.3 . 1 . . . . 26 VAL CB . 16302 1 116 . 1 1 26 26 VAL N N 15 121.127 0.3 . 1 . . . . 26 VAL N . 16302 1 117 . 1 1 27 27 ALA H H 1 8.161 0.020 . 1 . . . . 27 ALA H . 16302 1 118 . 1 1 27 27 ALA C C 13 179.606 0.3 . 1 . . . . 27 ALA C . 16302 1 119 . 1 1 27 27 ALA CA C 13 53.889 0.3 . 1 . . . . 27 ALA CA . 16302 1 120 . 1 1 27 27 ALA CB C 13 17.191 0.3 . 1 . . . . 27 ALA CB . 16302 1 121 . 1 1 27 27 ALA N N 15 124.362 0.3 . 1 . . . . 27 ALA N . 16302 1 122 . 1 1 28 28 GLU H H 1 8.211 0.020 . 1 . . . . 28 GLU H . 16302 1 123 . 1 1 28 28 GLU C C 13 177.730 0.3 . 1 . . . . 28 GLU C . 16302 1 124 . 1 1 28 28 GLU CA C 13 57.362 0.3 . 1 . . . . 28 GLU CA . 16302 1 125 . 1 1 28 28 GLU CB C 13 28.742 0.3 . 1 . . . . 28 GLU CB . 16302 1 126 . 1 1 28 28 GLU N N 15 118.959 0.3 . 1 . . . . 28 GLU N . 16302 1 127 . 1 1 29 29 ALA H H 1 8.010 0.020 . 1 . . . . 29 ALA H . 16302 1 128 . 1 1 29 29 ALA C C 13 178.502 0.3 . 1 . . . . 29 ALA C . 16302 1 129 . 1 1 29 29 ALA CA C 13 53.167 0.3 . 1 . . . . 29 ALA CA . 16302 1 130 . 1 1 29 29 ALA CB C 13 17.777 0.3 . 1 . . . . 29 ALA CB . 16302 1 131 . 1 1 29 29 ALA N N 15 123.481 0.3 . 1 . . . . 29 ALA N . 16302 1 132 . 1 1 30 30 ALA H H 1 8.301 0.020 . 1 . . . . 30 ALA H . 16302 1 133 . 1 1 30 30 ALA C C 13 178.781 0.3 . 1 . . . . 30 ALA C . 16302 1 134 . 1 1 30 30 ALA CA C 13 53.194 0.3 . 1 . . . . 30 ALA CA . 16302 1 135 . 1 1 30 30 ALA CB C 13 17.724 0.3 . 1 . . . . 30 ALA CB . 16302 1 136 . 1 1 30 30 ALA N N 15 122.175 0.3 . 1 . . . . 30 ALA N . 16302 1 137 . 1 1 31 31 GLY H H 1 8.234 0.020 . 1 . . . . 31 GLY H . 16302 1 138 . 1 1 31 31 GLY C C 13 174.962 0.3 . 1 . . . . 31 GLY C . 16302 1 139 . 1 1 31 31 GLY CA C 13 45.606 0.3 . 1 . . . . 31 GLY CA . 16302 1 140 . 1 1 31 31 GLY N N 15 107.313 0.3 . 1 . . . . 31 GLY N . 16302 1 141 . 1 1 32 32 LYS H H 1 8.030 0.020 . 1 . . . . 32 LYS H . 16302 1 142 . 1 1 32 32 LYS C C 13 177.557 0.3 . 1 . . . . 32 LYS C . 16302 1 143 . 1 1 32 32 LYS CA C 13 56.561 0.3 . 1 . . . . 32 LYS CA . 16302 1 144 . 1 1 32 32 LYS CB C 13 31.616 0.3 . 1 . . . . 32 LYS CB . 16302 1 145 . 1 1 32 32 LYS N N 15 121.084 0.3 . 1 . . . . 32 LYS N . 16302 1 146 . 1 1 33 33 THR H H 1 8.116 0.020 . 1 . . . . 33 THR H . 16302 1 147 . 1 1 33 33 THR C C 13 175.215 0.3 . 1 . . . . 33 THR C . 16302 1 148 . 1 1 33 33 THR CA C 13 63.214 0.3 . 1 . . . . 33 THR CA . 16302 1 149 . 1 1 33 33 THR CB C 13 68.451 0.3 . 1 . . . . 33 THR CB . 16302 1 150 . 1 1 33 33 THR N N 15 115.597 0.3 . 1 . . . . 33 THR N . 16302 1 151 . 1 1 34 34 LYS H H 1 8.313 0.020 . 1 . . . . 34 LYS H . 16302 1 152 . 1 1 34 34 LYS C C 13 176.998 0.3 . 1 . . . . 34 LYS C . 16302 1 153 . 1 1 34 34 LYS CA C 13 57.496 0.3 . 1 . . . . 34 LYS CA . 16302 1 154 . 1 1 34 34 LYS CB C 13 31.297 0.3 . 1 . . . . 34 LYS CB . 16302 1 155 . 1 1 34 34 LYS N N 15 123.096 0.3 . 1 . . . . 34 LYS N . 16302 1 156 . 1 1 35 35 GLU H H 1 8.278 0.020 . 1 . . . . 35 GLU H . 16302 1 157 . 1 1 35 35 GLU C C 13 177.836 0.3 . 1 . . . . 35 GLU C . 16302 1 158 . 1 1 35 35 GLU CA C 13 57.255 0.3 . 1 . . . . 35 GLU CA . 16302 1 159 . 1 1 35 35 GLU CB C 13 28.848 0.3 . 1 . . . . 35 GLU CB . 16302 1 160 . 1 1 35 35 GLU N N 15 120.040 0.3 . 1 . . . . 35 GLU N . 16302 1 161 . 1 1 36 36 GLY H H 1 8.318 0.020 . 1 . . . . 36 GLY H . 16302 1 162 . 1 1 36 36 GLY C C 13 174.350 0.3 . 1 . . . . 36 GLY C . 16302 1 163 . 1 1 36 36 GLY CA C 13 45.686 0.3 . 1 . . . . 36 GLY CA . 16302 1 164 . 1 1 36 36 GLY N N 15 109.554 0.3 . 1 . . . . 36 GLY N . 16302 1 165 . 1 1 37 37 VAL H H 1 8.049 0.020 . 1 . . . . 37 VAL H . 16302 1 166 . 1 1 37 37 VAL C C 13 176.346 0.3 . 1 . . . . 37 VAL C . 16302 1 167 . 1 1 37 37 VAL CA C 13 63.454 0.3 . 1 . . . . 37 VAL CA . 16302 1 168 . 1 1 37 37 VAL CB C 13 31.669 0.3 . 1 . . . . 37 VAL CB . 16302 1 169 . 1 1 37 37 VAL N N 15 120.160 0.3 . 1 . . . . 37 VAL N . 16302 1 170 . 1 1 38 38 LEU H H 1 8.205 0.020 . 1 . . . . 38 LEU H . 16302 1 171 . 1 1 38 38 LEU C C 13 177.211 0.3 . 1 . . . . 38 LEU C . 16302 1 172 . 1 1 38 38 LEU CA C 13 55.652 0.3 . 1 . . . . 38 LEU CA . 16302 1 173 . 1 1 38 38 LEU CB C 13 41.038 0.3 . 1 . . . . 38 LEU CB . 16302 1 174 . 1 1 38 38 LEU N N 15 122.929 0.3 . 1 . . . . 38 LEU N . 16302 1 175 . 1 1 39 39 TYR H H 1 8.133 0.020 . 1 . . . . 39 TYR H . 16302 1 176 . 1 1 39 39 TYR C C 13 176.146 0.3 . 1 . . . . 39 TYR C . 16302 1 177 . 1 1 39 39 TYR CA C 13 58.752 0.3 . 1 . . . . 39 TYR CA . 16302 1 178 . 1 1 39 39 TYR CB C 13 38.004 0.3 . 1 . . . . 39 TYR CB . 16302 1 179 . 1 1 39 39 TYR N N 15 121.246 0.3 . 1 . . . . 39 TYR N . 16302 1 180 . 1 1 40 40 VAL H H 1 8.100 0.020 . 1 . . . . 40 VAL H . 16302 1 181 . 1 1 40 40 VAL C C 13 176.932 0.3 . 1 . . . . 40 VAL C . 16302 1 182 . 1 1 40 40 VAL CA C 13 63.000 0.3 . 1 . . . . 40 VAL CA . 16302 1 183 . 1 1 40 40 VAL CB C 13 31.723 0.3 . 1 . . . . 40 VAL CB . 16302 1 184 . 1 1 40 40 VAL N N 15 120.600 0.3 . 1 . . . . 40 VAL N . 16302 1 185 . 1 1 41 41 GLY H H 1 8.322 0.020 . 1 . . . . 41 GLY H . 16302 1 186 . 1 1 41 41 GLY C C 13 174.457 0.3 . 1 . . . . 41 GLY C . 16302 1 187 . 1 1 41 41 GLY CA C 13 45.633 0.3 . 1 . . . . 41 GLY CA . 16302 1 188 . 1 1 41 41 GLY N N 15 111.092 0.3 . 1 . . . . 41 GLY N . 16302 1 189 . 1 1 42 42 SER H H 1 8.312 0.020 . 1 . . . . 42 SER H . 16302 1 190 . 1 1 42 42 SER C C 13 175.774 0.3 . 1 . . . . 42 SER C . 16302 1 191 . 1 1 42 42 SER CA C 13 59.874 0.3 . 1 . . . . 42 SER CA . 16302 1 192 . 1 1 42 42 SER CB C 13 62.649 0.3 . 1 . . . . 42 SER CB . 16302 1 193 . 1 1 42 42 SER N N 15 116.718 0.3 . 1 . . . . 42 SER N . 16302 1 194 . 1 1 43 43 LYS H H 1 8.361 0.020 . 1 . . . . 43 LYS H . 16302 1 195 . 1 1 43 43 LYS C C 13 178.070 0.3 . 1 . . . . 43 LYS C . 16302 1 196 . 1 1 43 43 LYS CA C 13 56.774 0.3 . 1 . . . . 43 LYS CA . 16302 1 197 . 1 1 43 43 LYS CB C 13 31.190 0.3 . 1 . . . . 43 LYS CB . 16302 1 198 . 1 1 43 43 LYS N N 15 122.797 0.3 . 1 . . . . 43 LYS N . 16302 1 199 . 1 1 44 44 THR H H 1 8.116 0.020 . 1 . . . . 44 THR H . 16302 1 200 . 1 1 44 44 THR C C 13 175.428 0.3 . 1 . . . . 44 THR C . 16302 1 201 . 1 1 44 44 THR CA C 13 63.561 0.3 . 1 . . . . 44 THR CA . 16302 1 202 . 1 1 44 44 THR CB C 13 68.664 0.3 . 1 . . . . 44 THR CB . 16302 1 203 . 1 1 44 44 THR N N 15 115.197 0.3 . 1 . . . . 44 THR N . 16302 1 204 . 1 1 45 45 LYS H H 1 8.362 0.020 . 1 . . . . 45 LYS H . 16302 1 205 . 1 1 45 45 LYS C C 13 177.464 0.3 . 1 . . . . 45 LYS C . 16302 1 206 . 1 1 45 45 LYS CA C 13 59.339 0.3 . 1 . . . . 45 LYS CA . 16302 1 207 . 1 1 45 45 LYS CB C 13 30.978 0.3 . 1 . . . . 45 LYS CB . 16302 1 208 . 1 1 45 45 LYS N N 15 122.281 0.3 . 1 . . . . 45 LYS N . 16302 1 209 . 1 1 46 46 GLU H H 1 8.334 0.020 . 1 . . . . 46 GLU H . 16302 1 210 . 1 1 46 46 GLU C C 13 178.595 0.3 . 1 . . . . 46 GLU C . 16302 1 211 . 1 1 46 46 GLU CA C 13 58.458 0.3 . 1 . . . . 46 GLU CA . 16302 1 212 . 1 1 46 46 GLU CB C 13 28.529 0.3 . 1 . . . . 46 GLU CB . 16302 1 213 . 1 1 46 46 GLU N N 15 118.319 0.3 . 1 . . . . 46 GLU N . 16302 1 214 . 1 1 47 47 GLY H H 1 8.189 0.020 . 1 . . . . 47 GLY H . 16302 1 215 . 1 1 47 47 GLY C C 13 176.240 0.3 . 1 . . . . 47 GLY C . 16302 1 216 . 1 1 47 47 GLY CA C 13 46.194 0.3 . 1 . . . . 47 GLY CA . 16302 1 217 . 1 1 47 47 GLY N N 15 108.474 0.3 . 1 . . . . 47 GLY N . 16302 1 218 . 1 1 48 48 VAL H H 1 8.224 0.020 . 1 . . . . 48 VAL H . 16302 1 219 . 1 1 48 48 VAL C C 13 177.059 0.3 . 1 . . . . 48 VAL C . 16302 1 220 . 1 1 48 48 VAL CA C 13 65.592 0.3 . 1 . . . . 48 VAL CA . 16302 1 221 . 1 1 48 48 VAL CB C 13 31.403 0.3 . 1 . . . . 48 VAL CB . 16302 1 222 . 1 1 48 48 VAL N N 15 122.476 0.3 . 1 . . . . 48 VAL N . 16302 1 223 . 1 1 49 49 VAL H H 1 8.239 0.020 . 1 . . . . 49 VAL H . 16302 1 224 . 1 1 49 49 VAL C C 13 177.690 0.3 . 1 . . . . 49 VAL C . 16302 1 225 . 1 1 49 49 VAL CA C 13 66.019 0.3 . 1 . . . . 49 VAL CA . 16302 1 226 . 1 1 49 49 VAL CB C 13 30.978 0.3 . 1 . . . . 49 VAL CB . 16302 1 227 . 1 1 49 49 VAL N N 15 120.200 0.3 . 1 . . . . 49 VAL N . 16302 1 228 . 1 1 50 50 HIS H H 1 8.267 0.020 . 1 . . . . 50 HIS H . 16302 1 229 . 1 1 50 50 HIS C C 13 177.650 0.3 . 1 . . . . 50 HIS C . 16302 1 230 . 1 1 50 50 HIS CA C 13 57.977 0.3 . 1 . . . . 50 HIS CA . 16302 1 231 . 1 1 50 50 HIS CB C 13 28.423 0.3 . 1 . . . . 50 HIS CB . 16302 1 232 . 1 1 50 50 HIS N N 15 118.759 0.3 . 1 . . . . 50 HIS N . 16302 1 233 . 1 1 51 51 GLY H H 1 8.413 0.020 . 1 . . . . 51 GLY H . 16302 1 234 . 1 1 51 51 GLY C C 13 175.215 0.3 . 1 . . . . 51 GLY C . 16302 1 235 . 1 1 51 51 GLY CA C 13 46.648 0.3 . 1 . . . . 51 GLY CA . 16302 1 236 . 1 1 51 51 GLY N N 15 109.634 0.3 . 1 . . . . 51 GLY N . 16302 1 237 . 1 1 52 52 VAL H H 1 8.474 0.020 . 1 . . . . 52 VAL H . 16302 1 238 . 1 1 52 52 VAL C C 13 176.945 0.3 . 1 . . . . 52 VAL C . 16302 1 239 . 1 1 52 52 VAL CA C 13 65.565 0.3 . 1 . . . . 52 VAL CA . 16302 1 240 . 1 1 52 52 VAL CB C 13 30.871 0.3 . 1 . . . . 52 VAL CB . 16302 1 241 . 1 1 52 52 VAL N N 15 121.400 0.3 . 1 . . . . 52 VAL N . 16302 1 242 . 1 1 53 53 ALA H H 1 8.155 0.020 . 1 . . . . 53 ALA H . 16302 1 243 . 1 1 53 53 ALA C C 13 179.992 0.3 . 1 . . . . 53 ALA C . 16302 1 244 . 1 1 53 53 ALA CA C 13 54.583 0.3 . 1 . . . . 53 ALA CA . 16302 1 245 . 1 1 53 53 ALA CB C 13 17.244 0.3 . 1 . . . . 53 ALA CB . 16302 1 246 . 1 1 53 53 ALA N N 15 122.441 0.3 . 1 . . . . 53 ALA N . 16302 1 247 . 1 1 54 54 THR H H 1 7.965 0.020 . 1 . . . . 54 THR H . 16302 1 248 . 1 1 54 54 THR C C 13 176.319 0.3 . 1 . . . . 54 THR C . 16302 1 249 . 1 1 54 54 THR CA C 13 64.950 0.3 . 1 . . . . 54 THR CA . 16302 1 250 . 1 1 54 54 THR CB C 13 68.291 0.3 . 1 . . . . 54 THR CB . 16302 1 251 . 1 1 54 54 THR N N 15 113.917 0.3 . 1 . . . . 54 THR N . 16302 1 252 . 1 1 55 55 VAL H H 1 7.898 0.020 . 1 . . . . 55 VAL H . 16302 1 253 . 1 1 55 55 VAL C C 13 177.983 0.3 . 1 . . . . 55 VAL C . 16302 1 254 . 1 1 55 55 VAL CA C 13 65.057 0.3 . 1 . . . . 55 VAL CA . 16302 1 255 . 1 1 55 55 VAL CB C 13 31.031 0.3 . 1 . . . . 55 VAL CB . 16302 1 256 . 1 1 55 55 VAL N N 15 121.800 0.3 . 1 . . . . 55 VAL N . 16302 1 257 . 1 1 56 56 ALA H H 1 8.659 0.020 . 1 . . . . 56 ALA H . 16302 1 258 . 1 1 56 56 ALA C C 13 178.781 0.3 . 1 . . . . 56 ALA C . 16302 1 259 . 1 1 56 56 ALA CA C 13 54.530 0.3 . 1 . . . . 56 ALA CA . 16302 1 260 . 1 1 56 56 ALA CB C 13 17.404 0.3 . 1 . . . . 56 ALA CB . 16302 1 261 . 1 1 56 56 ALA N N 15 125.282 0.3 . 1 . . . . 56 ALA N . 16302 1 262 . 1 1 57 57 GLU H H 1 8.100 0.020 . 1 . . . . 57 GLU H . 16302 1 263 . 1 1 57 57 GLU CA C 13 58.778 0.3 . 1 . . . . 57 GLU CA . 16302 1 264 . 1 1 57 57 GLU CB C 13 28.635 0.3 . 1 . . . . 57 GLU CB . 16302 1 265 . 1 1 57 57 GLU N N 15 118.719 0.3 . 1 . . . . 57 GLU N . 16302 1 266 . 1 1 58 58 LYS H H 1 8.094 0.020 . 1 . . . . 58 LYS H . 16302 1 267 . 1 1 58 58 LYS C C 13 178.688 0.3 . 1 . . . . 58 LYS C . 16302 1 268 . 1 1 58 58 LYS CA C 13 57.709 0.3 . 1 . . . . 58 LYS CA . 16302 1 269 . 1 1 58 58 LYS CB C 13 31.350 0.3 . 1 . . . . 58 LYS CB . 16302 1 270 . 1 1 58 58 LYS N N 15 118.959 0.3 . 1 . . . . 58 LYS N . 16302 1 271 . 1 1 59 59 THR H H 1 8.044 0.020 . 1 . . . . 59 THR H . 16302 1 272 . 1 1 59 59 THR C C 13 175.920 0.3 . 1 . . . . 59 THR C . 16302 1 273 . 1 1 59 59 THR CA C 13 65.030 0.3 . 1 . . . . 59 THR CA . 16302 1 274 . 1 1 59 59 THR CB C 13 68.131 0.3 . 1 . . . . 59 THR CB . 16302 1 275 . 1 1 59 59 THR N N 15 114.837 0.3 . 1 . . . . 59 THR N . 16302 1 276 . 1 1 60 60 LYS H H 1 8.060 0.020 . 1 . . . . 60 LYS H . 16302 1 277 . 1 1 60 60 LYS C C 13 178.329 0.3 . 1 . . . . 60 LYS C . 16302 1 278 . 1 1 60 60 LYS CA C 13 59.286 0.3 . 1 . . . . 60 LYS CA . 16302 1 279 . 1 1 60 60 LYS CB C 13 31.084 0.3 . 1 . . . . 60 LYS CB . 16302 1 280 . 1 1 60 60 LYS N N 15 121.800 0.3 . 1 . . . . 60 LYS N . 16302 1 281 . 1 1 61 61 GLU H H 1 8.021 0.020 . 1 . . . . 61 GLU H . 16302 1 282 . 1 1 61 61 GLU C C 13 177.876 0.3 . 1 . . . . 61 GLU C . 16302 1 283 . 1 1 61 61 GLU CA C 13 58.244 0.3 . 1 . . . . 61 GLU CA . 16302 1 284 . 1 1 61 61 GLU CB C 13 28.689 0.3 . 1 . . . . 61 GLU CB . 16302 1 285 . 1 1 61 61 GLU N N 15 119.079 0.3 . 1 . . . . 61 GLU N . 16302 1 286 . 1 1 62 62 GLN H H 1 7.926 0.020 . 1 . . . . 62 GLN H . 16302 1 287 . 1 1 62 62 GLN C C 13 177.823 0.3 . 1 . . . . 62 GLN C . 16302 1 288 . 1 1 62 62 GLN CA C 13 57.202 0.3 . 1 . . . . 62 GLN CA . 16302 1 289 . 1 1 62 62 GLN CB C 13 28.210 0.3 . 1 . . . . 62 GLN CB . 16302 1 290 . 1 1 62 62 GLN N N 15 118.159 0.3 . 1 . . . . 62 GLN N . 16302 1 291 . 1 1 63 63 VAL H H 1 8.189 0.020 . 1 . . . . 63 VAL H . 16302 1 292 . 1 1 63 63 VAL C C 13 177.011 0.3 . 1 . . . . 63 VAL C . 16302 1 293 . 1 1 63 63 VAL CA C 13 64.550 0.3 . 1 . . . . 63 VAL CA . 16302 1 294 . 1 1 63 63 VAL CB C 13 31.031 0.3 . 1 . . . . 63 VAL CB . 16302 1 295 . 1 1 63 63 VAL N N 15 118.679 0.3 . 1 . . . . 63 VAL N . 16302 1 296 . 1 1 64 64 THR H H 1 8.077 0.020 . 1 . . . . 64 THR H . 16302 1 297 . 1 1 64 64 THR C C 13 175.654 0.3 . 1 . . . . 64 THR C . 16302 1 298 . 1 1 64 64 THR CA C 13 64.229 0.3 . 1 . . . . 64 THR CA . 16302 1 299 . 1 1 64 64 THR CB C 13 68.451 0.3 . 1 . . . . 64 THR CB . 16302 1 300 . 1 1 64 64 THR N N 15 115.157 0.3 . 1 . . . . 64 THR N . 16302 1 301 . 1 1 65 65 ASN H H 1 8.178 0.020 . 1 . . . . 65 ASN H . 16302 1 302 . 1 1 65 65 ASN C C 13 176.601 0.3 . 1 . . . . 65 ASN C . 16302 1 303 . 1 1 65 65 ASN CA C 13 54.263 0.3 . 1 . . . . 65 ASN CA . 16302 1 304 . 1 1 65 65 ASN CB C 13 37.897 0.3 . 1 . . . . 65 ASN CB . 16302 1 305 . 1 1 65 65 ASN N N 15 120.680 0.3 . 1 . . . . 65 ASN N . 16302 1 306 . 1 1 66 66 VAL H H 1 8.144 0.020 . 1 . . . . 66 VAL H . 16302 1 307 . 1 1 66 66 VAL C C 13 177.007 0.3 . 1 . . . . 66 VAL C . 16302 1 308 . 1 1 66 66 VAL CA C 13 63.695 0.3 . 1 . . . . 66 VAL CA . 16302 1 309 . 1 1 66 66 VAL CB C 13 31.403 0.3 . 1 . . . . 66 VAL CB . 16302 1 310 . 1 1 66 66 VAL N N 15 119.399 0.3 . 1 . . . . 66 VAL N . 16302 1 311 . 1 1 67 67 GLY H H 1 8.446 0.020 . 1 . . . . 67 GLY H . 16302 1 312 . 1 1 67 67 GLY C C 13 175.109 0.3 . 1 . . . . 67 GLY C . 16302 1 313 . 1 1 67 67 GLY CA C 13 46.381 0.3 . 1 . . . . 67 GLY CA . 16302 1 314 . 1 1 67 67 GLY N N 15 109.674 0.3 . 1 . . . . 67 GLY N . 16302 1 315 . 1 1 68 68 GLY H H 1 8.312 0.020 . 1 . . . . 68 GLY H . 16302 1 316 . 1 1 68 68 GLY C C 13 175.468 0.3 . 1 . . . . 68 GLY C . 16302 1 317 . 1 1 68 68 GLY CA C 13 46.274 0.3 . 1 . . . . 68 GLY CA . 16302 1 318 . 1 1 68 68 GLY N N 15 108.634 0.3 . 1 . . . . 68 GLY N . 16302 1 319 . 1 1 69 69 ALA H H 1 8.105 0.020 . 1 . . . . 69 ALA H . 16302 1 320 . 1 1 69 69 ALA C C 13 179.939 0.3 . 1 . . . . 69 ALA C . 16302 1 321 . 1 1 69 69 ALA CA C 13 53.866 0.3 . 1 . . . . 69 ALA CA . 16302 1 322 . 1 1 69 69 ALA CB C 13 17.617 0.3 . 1 . . . . 69 ALA CB . 16302 1 323 . 1 1 69 69 ALA N N 15 124.842 0.3 . 1 . . . . 69 ALA N . 16302 1 324 . 1 1 70 70 VAL H H 1 8.144 0.020 . 1 . . . . 70 VAL H . 16302 1 325 . 1 1 70 70 VAL CA C 13 65.378 0.3 . 1 . . . . 70 VAL CA . 16302 1 326 . 1 1 70 70 VAL CB C 13 31.137 0.3 . 1 . . . . 70 VAL CB . 16302 1 327 . 1 1 70 70 VAL N N 15 119.159 0.3 . 1 . . . . 70 VAL N . 16302 1 328 . 1 1 71 71 VAL H H 1 8.094 0.020 . 1 . . . . 71 VAL H . 16302 1 329 . 1 1 71 71 VAL C C 13 178.568 0.3 . 1 . . . . 71 VAL C . 16302 1 330 . 1 1 71 71 VAL CA C 13 66.046 0.3 . 1 . . . . 71 VAL CA . 16302 1 331 . 1 1 71 71 VAL CB C 13 31.137 0.3 . 1 . . . . 71 VAL CB . 16302 1 332 . 1 1 71 71 VAL N N 15 120.080 0.3 . 1 . . . . 71 VAL N . 16302 1 333 . 1 1 72 72 THR H H 1 8.301 0.020 . 1 . . . . 72 THR H . 16302 1 334 . 1 1 72 72 THR C C 13 176.665 0.3 . 1 . . . . 72 THR C . 16302 1 335 . 1 1 72 72 THR CA C 13 65.298 0.3 . 1 . . . . 72 THR CA . 16302 1 336 . 1 1 72 72 THR CB C 13 68.078 0.3 . 1 . . . . 72 THR CB . 16302 1 337 . 1 1 72 72 THR N N 15 117.438 0.3 . 1 . . . . 72 THR N . 16302 1 338 . 1 1 73 73 GLY H H 1 8.278 0.020 . 1 . . . . 73 GLY H . 16302 1 339 . 1 1 73 73 GLY C C 13 175.242 0.3 . 1 . . . . 73 GLY C . 16302 1 340 . 1 1 73 73 GLY CA C 13 46.728 0.3 . 1 . . . . 73 GLY CA . 16302 1 341 . 1 1 73 73 GLY N N 15 110.835 0.3 . 1 . . . . 73 GLY N . 16302 1 342 . 1 1 74 74 VAL H H 1 8.575 0.020 . 1 . . . . 74 VAL H . 16302 1 343 . 1 1 74 74 VAL C C 13 177.437 0.3 . 1 . . . . 74 VAL C . 16302 1 344 . 1 1 74 74 VAL CA C 13 65.752 0.3 . 1 . . . . 74 VAL CA . 16302 1 345 . 1 1 74 74 VAL CB C 13 30.871 0.3 . 1 . . . . 74 VAL CB . 16302 1 346 . 1 1 74 74 VAL N N 15 120.920 0.3 . 1 . . . . 74 VAL N . 16302 1 347 . 1 1 75 75 THR H H 1 8.145 0.020 . 1 . . . . 75 THR H . 16302 1 348 . 1 1 75 75 THR C C 13 175.880 0.3 . 1 . . . . 75 THR C . 16302 1 349 . 1 1 75 75 THR CA C 13 66.260 0.3 . 1 . . . . 75 THR CA . 16302 1 350 . 1 1 75 75 THR CB C 13 67.865 0.3 . 1 . . . . 75 THR CB . 16302 1 351 . 1 1 75 75 THR N N 15 115.589 0.3 . 1 . . . . 75 THR N . 16302 1 352 . 1 1 76 76 ALA H H 1 7.837 0.020 . 1 . . . . 76 ALA H . 16302 1 353 . 1 1 76 76 ALA C C 13 180.537 0.3 . 1 . . . . 76 ALA C . 16302 1 354 . 1 1 76 76 ALA CA C 13 54.530 0.3 . 1 . . . . 76 ALA CA . 16302 1 355 . 1 1 76 76 ALA CB C 13 17.298 0.3 . 1 . . . . 76 ALA CB . 16302 1 356 . 1 1 76 76 ALA N N 15 123.761 0.3 . 1 . . . . 76 ALA N . 16302 1 357 . 1 1 77 77 VAL H H 1 7.820 0.020 . 1 . . . . 77 VAL H . 16302 1 358 . 1 1 77 77 VAL C C 13 178.395 0.3 . 1 . . . . 77 VAL C . 16302 1 359 . 1 1 77 77 VAL CA C 13 65.084 0.3 . 1 . . . . 77 VAL CA . 16302 1 360 . 1 1 77 77 VAL CB C 13 31.190 0.3 . 1 . . . . 77 VAL CB . 16302 1 361 . 1 1 77 77 VAL N N 15 117.959 0.3 . 1 . . . . 77 VAL N . 16302 1 362 . 1 1 78 78 ALA H H 1 8.519 0.020 . 1 . . . . 78 ALA H . 16302 1 363 . 1 1 78 78 ALA C C 13 178.728 0.3 . 1 . . . . 78 ALA C . 16302 1 364 . 1 1 78 78 ALA CA C 13 54.770 0.3 . 1 . . . . 78 ALA CA . 16302 1 365 . 1 1 78 78 ALA CB C 13 17.404 0.3 . 1 . . . . 78 ALA CB . 16302 1 366 . 1 1 78 78 ALA N N 15 124.922 0.3 . 1 . . . . 78 ALA N . 16302 1 367 . 1 1 79 79 GLN H H 1 8.245 0.020 . 1 . . . . 79 GLN H . 16302 1 368 . 1 1 79 79 GLN C C 13 177.889 0.3 . 1 . . . . 79 GLN C . 16302 1 369 . 1 1 79 79 GLN CA C 13 58.110 0.3 . 1 . . . . 79 GLN CA . 16302 1 370 . 1 1 79 79 GLN CB C 13 27.358 0.3 . 1 . . . . 79 GLN CB . 16302 1 371 . 1 1 79 79 GLN N N 15 116.958 0.3 . 1 . . . . 79 GLN N . 16302 1 372 . 1 1 80 80 LYS H H 1 7.926 0.020 . 1 . . . . 80 LYS H . 16302 1 373 . 1 1 80 80 LYS C C 13 178.608 0.3 . 1 . . . . 80 LYS C . 16302 1 374 . 1 1 80 80 LYS CA C 13 57.763 0.3 . 1 . . . . 80 LYS CA . 16302 1 375 . 1 1 80 80 LYS CB C 13 31.297 0.3 . 1 . . . . 80 LYS CB . 16302 1 376 . 1 1 80 80 LYS N N 15 119.119 0.3 . 1 . . . . 80 LYS N . 16302 1 377 . 1 1 81 81 THR H H 1 8.066 0.020 . 1 . . . . 81 THR H . 16302 1 378 . 1 1 81 81 THR C C 13 175.774 0.3 . 1 . . . . 81 THR C . 16302 1 379 . 1 1 81 81 THR CA C 13 65.164 0.3 . 1 . . . . 81 THR CA . 16302 1 380 . 1 1 81 81 THR CB C 13 68.078 0.3 . 1 . . . . 81 THR CB . 16302 1 381 . 1 1 81 81 THR N N 15 116.238 0.3 . 1 . . . . 81 THR N . 16302 1 382 . 1 1 82 82 VAL H H 1 8.007 0.020 . 1 . . . . 82 VAL H . 16302 1 383 . 1 1 82 82 VAL C C 13 177.656 0.3 . 1 . . . . 82 VAL C . 16302 1 384 . 1 1 82 82 VAL CA C 13 64.710 0.3 . 1 . . . . 82 VAL CA . 16302 1 385 . 1 1 82 82 VAL CB C 13 31.297 0.3 . 1 . . . . 82 VAL CB . 16302 1 386 . 1 1 82 82 VAL N N 15 121.070 0.3 . 1 . . . . 82 VAL N . 16302 1 387 . 1 1 83 83 GLU H H 1 8.178 0.020 . 1 . . . . 83 GLU H . 16302 1 388 . 1 1 83 83 GLU C C 13 178.448 0.3 . 1 . . . . 83 GLU C . 16302 1 389 . 1 1 83 83 GLU CA C 13 57.897 0.3 . 1 . . . . 83 GLU CA . 16302 1 390 . 1 1 83 83 GLU CB C 13 28.742 0.3 . 1 . . . . 83 GLU CB . 16302 1 391 . 1 1 83 83 GLU N N 15 121.560 0.3 . 1 . . . . 83 GLU N . 16302 1 392 . 1 1 84 84 GLY H H 1 8.211 0.020 . 1 . . . . 84 GLY H . 16302 1 393 . 1 1 84 84 GLY C C 13 174.803 0.3 . 1 . . . . 84 GLY C . 16302 1 394 . 1 1 84 84 GLY CA C 13 45.713 0.3 . 1 . . . . 84 GLY CA . 16302 1 395 . 1 1 84 84 GLY N N 15 108.634 0.3 . 1 . . . . 84 GLY N . 16302 1 396 . 1 1 85 85 ALA H H 1 8.239 0.020 . 1 . . . . 85 ALA H . 16302 1 397 . 1 1 85 85 ALA C C 13 178.648 0.3 . 1 . . . . 85 ALA C . 16302 1 398 . 1 1 85 85 ALA CA C 13 53.434 0.3 . 1 . . . . 85 ALA CA . 16302 1 399 . 1 1 85 85 ALA CB C 13 17.883 0.3 . 1 . . . . 85 ALA CB . 16302 1 400 . 1 1 85 85 ALA N N 15 124.002 0.3 . 1 . . . . 85 ALA N . 16302 1 401 . 1 1 86 86 GLY H H 1 8.413 0.020 . 1 . . . . 86 GLY H . 16302 1 402 . 1 1 86 86 GLY C C 13 175.268 0.3 . 1 . . . . 86 GLY C . 16302 1 403 . 1 1 86 86 GLY CA C 13 45.873 0.3 . 1 . . . . 86 GLY CA . 16302 1 404 . 1 1 86 86 GLY N N 15 106.953 0.3 . 1 . . . . 86 GLY N . 16302 1 405 . 1 1 87 87 SER H H 1 8.066 0.020 . 1 . . . . 87 SER H . 16302 1 406 . 1 1 87 87 SER C C 13 176.000 0.3 . 1 . . . . 87 SER C . 16302 1 407 . 1 1 87 87 SER CA C 13 59.500 0.3 . 1 . . . . 87 SER CA . 16302 1 408 . 1 1 87 87 SER CB C 13 62.862 0.3 . 1 . . . . 87 SER CB . 16302 1 409 . 1 1 87 87 SER N N 15 116.718 0.3 . 1 . . . . 87 SER N . 16302 1 410 . 1 1 88 88 ILE H H 1 8.312 0.020 . 1 . . . . 88 ILE H . 16302 1 411 . 1 1 88 88 ILE C C 13 177.756 0.3 . 1 . . . . 88 ILE C . 16302 1 412 . 1 1 88 88 ILE CA C 13 63.187 0.3 . 1 . . . . 88 ILE CA . 16302 1 413 . 1 1 88 88 ILE CB C 13 36.620 0.3 . 1 . . . . 88 ILE CB . 16302 1 414 . 1 1 88 88 ILE N N 15 123.201 0.3 . 1 . . . . 88 ILE N . 16302 1 415 . 1 1 89 89 ALA H H 1 8.435 0.020 . 1 . . . . 89 ALA H . 16302 1 416 . 1 1 89 89 ALA C C 13 179.353 0.3 . 1 . . . . 89 ALA C . 16302 1 417 . 1 1 89 89 ALA CA C 13 54.263 0.3 . 1 . . . . 89 ALA CA . 16302 1 418 . 1 1 89 89 ALA CB C 13 17.244 0.3 . 1 . . . . 89 ALA CB . 16302 1 419 . 1 1 89 89 ALA N N 15 124.522 0.3 . 1 . . . . 89 ALA N . 16302 1 420 . 1 1 90 90 ALA H H 1 8.044 0.020 . 1 . . . . 90 ALA H . 16302 1 421 . 1 1 90 90 ALA C C 13 179.473 0.3 . 1 . . . . 90 ALA C . 16302 1 422 . 1 1 90 90 ALA CA C 13 53.568 0.3 . 1 . . . . 90 ALA CA . 16302 1 423 . 1 1 90 90 ALA CB C 13 17.457 0.3 . 1 . . . . 90 ALA CB . 16302 1 424 . 1 1 90 90 ALA N N 15 120.560 0.3 . 1 . . . . 90 ALA N . 16302 1 425 . 1 1 91 91 ALA H H 1 7.977 0.020 . 1 . . . . 91 ALA H . 16302 1 426 . 1 1 91 91 ALA C C 13 178.502 0.3 . 1 . . . . 91 ALA C . 16302 1 427 . 1 1 91 91 ALA CA C 13 53.488 0.3 . 1 . . . . 91 ALA CA . 16302 1 428 . 1 1 91 91 ALA CB C 13 18.043 0.3 . 1 . . . . 91 ALA CB . 16302 1 429 . 1 1 91 91 ALA N N 15 121.040 0.3 . 1 . . . . 91 ALA N . 16302 1 430 . 1 1 92 92 THR H H 1 7.814 0.020 . 1 . . . . 92 THR H . 16302 1 431 . 1 1 92 92 THR C C 13 175.441 0.3 . 1 . . . . 92 THR C . 16302 1 432 . 1 1 92 92 THR CA C 13 62.706 0.3 . 1 . . . . 92 THR CA . 16302 1 433 . 1 1 92 92 THR CB C 13 69.302 0.3 . 1 . . . . 92 THR CB . 16302 1 434 . 1 1 92 92 THR N N 15 108.354 0.3 . 1 . . . . 92 THR N . 16302 1 435 . 1 1 93 93 GLY H H 1 7.910 0.020 . 1 . . . . 93 GLY H . 16302 1 436 . 1 1 93 93 GLY C C 13 174.497 0.3 . 1 . . . . 93 GLY C . 16302 1 437 . 1 1 93 93 GLY CA C 13 45.445 0.3 . 1 . . . . 93 GLY CA . 16302 1 438 . 1 1 93 93 GLY N N 15 108.994 0.3 . 1 . . . . 93 GLY N . 16302 1 439 . 1 1 94 94 PHE H H 1 7.932 0.020 . 1 . . . . 94 PHE H . 16302 1 440 . 1 1 94 94 PHE C C 13 175.455 0.3 . 1 . . . . 94 PHE C . 16302 1 441 . 1 1 94 94 PHE CA C 13 58.511 0.3 . 1 . . . . 94 PHE CA . 16302 1 442 . 1 1 94 94 PHE CB C 13 38.483 0.3 . 1 . . . . 94 PHE CB . 16302 1 443 . 1 1 94 94 PHE N N 15 120.120 0.3 . 1 . . . . 94 PHE N . 16302 1 444 . 1 1 95 95 VAL H H 1 7.636 0.020 . 1 . . . . 95 VAL H . 16302 1 445 . 1 1 95 95 VAL C C 13 175.335 0.3 . 1 . . . . 95 VAL C . 16302 1 446 . 1 1 95 95 VAL CA C 13 61.477 0.3 . 1 . . . . 95 VAL CA . 16302 1 447 . 1 1 95 95 VAL CB C 13 32.468 0.3 . 1 . . . . 95 VAL CB . 16302 1 448 . 1 1 95 95 VAL N N 15 119.359 0.3 . 1 . . . . 95 VAL N . 16302 1 449 . 1 1 96 96 LYS H H 1 8.267 0.020 . 1 . . . . 96 LYS H . 16302 1 450 . 1 1 96 96 LYS C C 13 176.652 0.3 . 1 . . . . 96 LYS C . 16302 1 451 . 1 1 96 96 LYS CA C 13 55.839 0.3 . 1 . . . . 96 LYS CA . 16302 1 452 . 1 1 96 96 LYS CB C 13 31.723 0.3 . 1 . . . . 96 LYS CB . 16302 1 453 . 1 1 96 96 LYS N N 15 124.842 0.3 . 1 . . . . 96 LYS N . 16302 1 454 . 1 1 97 97 LYS H H 1 8.429 0.020 . 1 . . . . 97 LYS H . 16302 1 455 . 1 1 97 97 LYS C C 13 176.625 0.3 . 1 . . . . 97 LYS C . 16302 1 456 . 1 1 97 97 LYS CA C 13 56.267 0.3 . 1 . . . . 97 LYS CA . 16302 1 457 . 1 1 97 97 LYS CB C 13 31.723 0.3 . 1 . . . . 97 LYS CB . 16302 1 458 . 1 1 97 97 LYS N N 15 123.481 0.3 . 1 . . . . 97 LYS N . 16302 1 459 . 1 1 98 98 ASP H H 1 8.396 0.020 . 1 . . . . 98 ASP H . 16302 1 460 . 1 1 98 98 ASP C C 13 176.359 0.3 . 1 . . . . 98 ASP C . 16302 1 461 . 1 1 98 98 ASP CA C 13 54.183 0.3 . 1 . . . . 98 ASP CA . 16302 1 462 . 1 1 98 98 ASP CB C 13 40.239 0.3 . 1 . . . . 98 ASP CB . 16302 1 463 . 1 1 98 98 ASP N N 15 121.360 0.3 . 1 . . . . 98 ASP N . 16302 1 464 . 1 1 99 99 GLN H H 1 8.318 0.020 . 1 . . . . 99 GLN H . 16302 1 465 . 1 1 99 99 GLN C C 13 176.280 0.3 . 1 . . . . 99 GLN C . 16302 1 466 . 1 1 99 99 GLN CA C 13 55.412 0.3 . 1 . . . . 99 GLN CA . 16302 1 467 . 1 1 99 99 GLN CB C 13 28.263 0.3 . 1 . . . . 99 GLN CB . 16302 1 468 . 1 1 99 99 GLN N N 15 120.800 0.3 . 1 . . . . 99 GLN N . 16302 1 469 . 1 1 100 100 LEU H H 1 8.211 0.020 . 1 . . . . 100 LEU H . 16302 1 470 . 1 1 100 100 LEU C C 13 178.089 0.3 . 1 . . . . 100 LEU C . 16302 1 471 . 1 1 100 100 LEU CA C 13 55.118 0.3 . 1 . . . . 100 LEU CA . 16302 1 472 . 1 1 100 100 LEU CB C 13 41.091 0.3 . 1 . . . . 100 LEU CB . 16302 1 473 . 1 1 100 100 LEU N N 15 123.041 0.3 . 1 . . . . 100 LEU N . 16302 1 474 . 1 1 101 101 GLY H H 1 8.413 0.020 . 1 . . . . 101 GLY H . 16302 1 475 . 1 1 101 101 GLY C C 13 174.151 0.3 . 1 . . . . 101 GLY C . 16302 1 476 . 1 1 101 101 GLY CA C 13 44.938 0.3 . 1 . . . . 101 GLY CA . 16302 1 477 . 1 1 101 101 GLY N N 15 110.075 0.3 . 1 . . . . 101 GLY N . 16302 1 478 . 1 1 102 102 LYS H H 1 8.111 0.020 . 1 . . . . 102 LYS H . 16302 1 479 . 1 1 102 102 LYS C C 13 176.439 0.3 . 1 . . . . 102 LYS C . 16302 1 480 . 1 1 102 102 LYS CA C 13 55.786 0.3 . 1 . . . . 102 LYS CA . 16302 1 481 . 1 1 102 102 LYS CB C 13 31.776 0.3 . 1 . . . . 102 LYS CB . 16302 1 482 . 1 1 102 102 LYS N N 15 121.240 0.3 . 1 . . . . 102 LYS N . 16302 1 483 . 1 1 103 103 ASN H H 1 8.530 0.020 . 1 . . . . 103 ASN H . 16302 1 484 . 1 1 103 103 ASN C C 13 175.162 0.3 . 1 . . . . 103 ASN C . 16302 1 485 . 1 1 103 103 ASN CA C 13 52.980 0.3 . 1 . . . . 103 ASN CA . 16302 1 486 . 1 1 103 103 ASN CB C 13 38.217 0.3 . 1 . . . . 103 ASN CB . 16302 1 487 . 1 1 103 103 ASN N N 15 120.520 0.3 . 1 . . . . 103 ASN N . 16302 1 488 . 1 1 104 104 GLU H H 1 8.429 0.020 . 1 . . . . 104 GLU H . 16302 1 489 . 1 1 104 104 GLU C C 13 176.532 0.3 . 1 . . . . 104 GLU C . 16302 1 490 . 1 1 104 104 GLU CA C 13 56.106 0.3 . 1 . . . . 104 GLU CA . 16302 1 491 . 1 1 104 104 GLU CB C 13 29.115 0.3 . 1 . . . . 104 GLU CB . 16302 1 492 . 1 1 104 104 GLU N N 15 122.201 0.3 . 1 . . . . 104 GLU N . 16302 1 493 . 1 1 105 105 GLU H H 1 8.441 0.020 . 1 . . . . 105 GLU H . 16302 1 494 . 1 1 105 105 GLU C C 13 177.011 0.3 . 1 . . . . 105 GLU C . 16302 1 495 . 1 1 105 105 GLU CA C 13 56.347 0.3 . 1 . . . . 105 GLU CA . 16302 1 496 . 1 1 105 105 GLU CB C 13 29.221 0.3 . 1 . . . . 105 GLU CB . 16302 1 497 . 1 1 105 105 GLU N N 15 122.761 0.3 . 1 . . . . 105 GLU N . 16302 1 498 . 1 1 106 106 GLY H H 1 8.379 0.020 . 1 . . . . 106 GLY H . 16302 1 499 . 1 1 106 106 GLY C C 13 173.445 0.3 . 1 . . . . 106 GLY C . 16302 1 500 . 1 1 106 106 GLY CA C 13 44.537 0.3 . 1 . . . . 106 GLY CA . 16302 1 501 . 1 1 106 106 GLY N N 15 110.635 0.3 . 1 . . . . 106 GLY N . 16302 1 502 . 1 1 107 107 ALA H H 1 8.128 0.020 . 1 . . . . 107 ALA H . 16302 1 503 . 1 1 107 107 ALA C C 13 175.654 0.3 . 1 . . . . 107 ALA C . 16302 1 504 . 1 1 107 107 ALA CA C 13 50.068 0.3 . 1 . . . . 107 ALA CA . 16302 1 505 . 1 1 107 107 ALA CB C 13 17.032 0.3 . 1 . . . . 107 ALA CB . 16302 1 506 . 1 1 107 107 ALA N N 15 125.562 0.3 . 1 . . . . 107 ALA N . 16302 1 507 . 1 1 109 109 GLN H H 1 8.530 0.020 . 1 . . . . 109 GLN H . 16302 1 508 . 1 1 109 109 GLN C C 13 176.000 0.3 . 1 . . . . 109 GLN C . 16302 1 509 . 1 1 109 109 GLN CA C 13 55.225 0.3 . 1 . . . . 109 GLN CA . 16302 1 510 . 1 1 109 109 GLN CB C 13 28.529 0.3 . 1 . . . . 109 GLN CB . 16302 1 511 . 1 1 109 109 GLN N N 15 121.640 0.3 . 1 . . . . 109 GLN N . 16302 1 512 . 1 1 110 110 GLU H H 1 8.474 0.020 . 1 . . . . 110 GLU H . 16302 1 513 . 1 1 110 110 GLU C C 13 176.852 0.3 . 1 . . . . 110 GLU C . 16302 1 514 . 1 1 110 110 GLU CA C 13 56.187 0.3 . 1 . . . . 110 GLU CA . 16302 1 515 . 1 1 110 110 GLU CB C 13 29.274 0.3 . 1 . . . . 110 GLU CB . 16302 1 516 . 1 1 110 110 GLU N N 15 123.121 0.3 . 1 . . . . 110 GLU N . 16302 1 517 . 1 1 111 111 GLY H H 1 8.429 0.020 . 1 . . . . 111 GLY H . 16302 1 518 . 1 1 111 111 GLY C C 13 173.738 0.3 . 1 . . . . 111 GLY C . 16302 1 519 . 1 1 111 111 GLY CA C 13 44.804 0.3 . 1 . . . . 111 GLY CA . 16302 1 520 . 1 1 111 111 GLY N N 15 110.715 0.3 . 1 . . . . 111 GLY N . 16302 1 521 . 1 1 112 112 ILE H H 1 7.965 0.020 . 1 . . . . 112 ILE H . 16302 1 522 . 1 1 112 112 ILE C C 13 176.213 0.3 . 1 . . . . 112 ILE C . 16302 1 523 . 1 1 112 112 ILE CA C 13 60.462 0.3 . 1 . . . . 112 ILE CA . 16302 1 524 . 1 1 112 112 ILE CB C 13 37.631 0.3 . 1 . . . . 112 ILE CB . 16302 1 525 . 1 1 112 112 ILE N N 15 120.840 0.3 . 1 . . . . 112 ILE N . 16302 1 526 . 1 1 113 113 LEU H H 1 8.357 0.020 . 1 . . . . 113 LEU H . 16302 1 527 . 1 1 113 113 LEU C C 13 177.065 0.3 . 1 . . . . 113 LEU C . 16302 1 528 . 1 1 113 113 LEU CA C 13 54.530 0.3 . 1 . . . . 113 LEU CA . 16302 1 529 . 1 1 113 113 LEU CB C 13 41.197 0.3 . 1 . . . . 113 LEU CB . 16302 1 530 . 1 1 113 113 LEU N N 15 127.523 0.3 . 1 . . . . 113 LEU N . 16302 1 531 . 1 1 114 114 GLU H H 1 8.373 0.020 . 1 . . . . 114 GLU H . 16302 1 532 . 1 1 114 114 GLU C C 13 175.854 0.3 . 1 . . . . 114 GLU C . 16302 1 533 . 1 1 114 114 GLU CA C 13 55.973 0.3 . 1 . . . . 114 GLU CA . 16302 1 534 . 1 1 114 114 GLU CB C 13 29.540 0.3 . 1 . . . . 114 GLU CB . 16302 1 535 . 1 1 114 114 GLU N N 15 122.921 0.3 . 1 . . . . 114 GLU N . 16302 1 536 . 1 1 115 115 ASP H H 1 8.318 0.020 . 1 . . . . 115 ASP H . 16302 1 537 . 1 1 115 115 ASP C C 13 175.774 0.3 . 1 . . . . 115 ASP C . 16302 1 538 . 1 1 115 115 ASP CA C 13 53.889 0.3 . 1 . . . . 115 ASP CA . 16302 1 539 . 1 1 115 115 ASP CB C 13 40.452 0.3 . 1 . . . . 115 ASP CB . 16302 1 540 . 1 1 115 115 ASP N N 15 122.081 0.3 . 1 . . . . 115 ASP N . 16302 1 541 . 1 1 116 116 MET H H 1 8.234 0.020 . 1 . . . . 116 MET H . 16302 1 542 . 1 1 116 116 MET C C 13 174.084 0.3 . 1 . . . . 116 MET C . 16302 1 543 . 1 1 116 116 MET CA C 13 52.820 0.3 . 1 . . . . 116 MET CA . 16302 1 544 . 1 1 116 116 MET CB C 13 31.457 0.3 . 1 . . . . 116 MET CB . 16302 1 545 . 1 1 116 116 MET N N 15 122.601 0.3 . 1 . . . . 116 MET N . 16302 1 546 . 1 1 118 118 VAL H H 1 8.234 0.020 . 1 . . . . 118 VAL H . 16302 1 547 . 1 1 118 118 VAL C C 13 175.774 0.3 . 1 . . . . 118 VAL C . 16302 1 548 . 1 1 118 118 VAL CA C 13 61.477 0.3 . 1 . . . . 118 VAL CA . 16302 1 549 . 1 1 118 118 VAL CB C 13 32.361 0.3 . 1 . . . . 118 VAL CB . 16302 1 550 . 1 1 118 118 VAL N N 15 121.200 0.3 . 1 . . . . 118 VAL N . 16302 1 551 . 1 1 119 119 ASP H H 1 8.457 0.020 . 1 . . . . 119 ASP H . 16302 1 552 . 1 1 119 119 ASP C C 13 174.670 0.3 . 1 . . . . 119 ASP C . 16302 1 553 . 1 1 119 119 ASP CA C 13 51.805 0.3 . 1 . . . . 119 ASP CA . 16302 1 554 . 1 1 119 119 ASP CB C 13 40.239 0.3 . 1 . . . . 119 ASP CB . 16302 1 555 . 1 1 119 119 ASP N N 15 126.403 0.3 . 1 . . . . 119 ASP N . 16302 1 556 . 1 1 121 121 ASP H H 1 8.340 0.020 . 1 . . . . 121 ASP H . 16302 1 557 . 1 1 121 121 ASP C C 13 176.186 0.3 . 1 . . . . 121 ASP C . 16302 1 558 . 1 1 121 121 ASP CA C 13 54.183 0.3 . 1 . . . . 121 ASP CA . 16302 1 559 . 1 1 121 121 ASP CB C 13 40.186 0.3 . 1 . . . . 121 ASP CB . 16302 1 560 . 1 1 121 121 ASP N N 15 119.960 0.3 . 1 . . . . 121 ASP N . 16302 1 561 . 1 1 122 122 ASN H H 1 8.111 0.020 . 1 . . . . 122 ASN H . 16302 1 562 . 1 1 122 122 ASN C C 13 175.335 0.3 . 1 . . . . 122 ASN C . 16302 1 563 . 1 1 122 122 ASN CA C 13 53.141 0.3 . 1 . . . . 122 ASN CA . 16302 1 564 . 1 1 122 122 ASN CB C 13 38.483 0.3 . 1 . . . . 122 ASN CB . 16302 1 565 . 1 1 122 122 ASN N N 15 119.599 0.3 . 1 . . . . 122 ASN N . 16302 1 566 . 1 1 123 123 GLU H H 1 8.329 0.020 . 1 . . . . 123 GLU H . 16302 1 567 . 1 1 123 123 GLU C C 13 176.013 0.3 . 1 . . . . 123 GLU C . 16302 1 568 . 1 1 123 123 GLU CA C 13 56.374 0.3 . 1 . . . . 123 GLU CA . 16302 1 569 . 1 1 123 123 GLU CB C 13 29.115 0.3 . 1 . . . . 123 GLU CB . 16302 1 570 . 1 1 123 123 GLU N N 15 122.201 0.3 . 1 . . . . 123 GLU N . 16302 1 571 . 1 1 124 124 ALA H H 1 8.167 0.020 . 1 . . . . 124 ALA H . 16302 1 572 . 1 1 124 124 ALA C C 13 177.144 0.3 . 1 . . . . 124 ALA C . 16302 1 573 . 1 1 124 124 ALA CA C 13 51.831 0.3 . 1 . . . . 124 ALA CA . 16302 1 574 . 1 1 124 124 ALA CB C 13 18.043 0.3 . 1 . . . . 124 ALA CB . 16302 1 575 . 1 1 124 124 ALA N N 15 125.002 0.3 . 1 . . . . 124 ALA N . 16302 1 576 . 1 1 125 125 TYR H H 1 7.993 0.020 . 1 . . . . 125 TYR H . 16302 1 577 . 1 1 125 125 TYR C C 13 175.322 0.3 . 1 . . . . 125 TYR C . 16302 1 578 . 1 1 125 125 TYR CA C 13 57.255 0.3 . 1 . . . . 125 TYR CA . 16302 1 579 . 1 1 125 125 TYR CB C 13 38.004 0.3 . 1 . . . . 125 TYR CB . 16302 1 580 . 1 1 125 125 TYR N N 15 120.560 0.3 . 1 . . . . 125 TYR N . 16302 1 581 . 1 1 126 126 GLU H H 1 8.116 0.020 . 1 . . . . 126 GLU H . 16302 1 582 . 1 1 126 126 GLU C C 13 175.441 0.3 . 1 . . . . 126 GLU C . 16302 1 583 . 1 1 126 126 GLU CA C 13 55.251 0.3 . 1 . . . . 126 GLU CA . 16302 1 584 . 1 1 126 126 GLU CB C 13 29.594 0.3 . 1 . . . . 126 GLU CB . 16302 1 585 . 1 1 126 126 GLU N N 15 124.242 0.3 . 1 . . . . 126 GLU N . 16302 1 586 . 1 1 127 127 MET H H 1 8.373 0.020 . 1 . . . . 127 MET H . 16302 1 587 . 1 1 127 127 MET C C 13 174.230 0.3 . 1 . . . . 127 MET C . 16302 1 588 . 1 1 127 127 MET CA C 13 52.873 0.3 . 1 . . . . 127 MET CA . 16302 1 589 . 1 1 127 127 MET CB C 13 31.350 0.3 . 1 . . . . 127 MET CB . 16302 1 590 . 1 1 127 127 MET N N 15 124.362 0.3 . 1 . . . . 127 MET N . 16302 1 591 . 1 1 129 129 SER H H 1 8.429 0.020 . 1 . . . . 129 SER H . 16302 1 592 . 1 1 129 129 SER C C 13 174.776 0.3 . 1 . . . . 129 SER C . 16302 1 593 . 1 1 129 129 SER CA C 13 57.790 0.3 . 1 . . . . 129 SER CA . 16302 1 594 . 1 1 129 129 SER CB C 13 63.075 0.3 . 1 . . . . 129 SER CB . 16302 1 595 . 1 1 129 129 SER N N 15 117.198 0.3 . 1 . . . . 129 SER N . 16302 1 596 . 1 1 130 130 GLU H H 1 8.519 0.020 . 1 . . . . 130 GLU H . 16302 1 597 . 1 1 130 130 GLU C C 13 176.492 0.3 . 1 . . . . 130 GLU C . 16302 1 598 . 1 1 130 130 GLU CA C 13 56.080 0.3 . 1 . . . . 130 GLU CA . 16302 1 599 . 1 1 130 130 GLU CB C 13 29.115 0.3 . 1 . . . . 130 GLU CB . 16302 1 600 . 1 1 130 130 GLU N N 15 123.721 0.3 . 1 . . . . 130 GLU N . 16302 1 601 . 1 1 131 131 GLU H H 1 8.429 0.020 . 1 . . . . 131 GLU H . 16302 1 602 . 1 1 131 131 GLU C C 13 176.971 0.3 . 1 . . . . 131 GLU C . 16302 1 603 . 1 1 131 131 GLU CA C 13 56.347 0.3 . 1 . . . . 131 GLU CA . 16302 1 604 . 1 1 131 131 GLU CB C 13 29.115 0.3 . 1 . . . . 131 GLU CB . 16302 1 605 . 1 1 131 131 GLU N N 15 122.561 0.3 . 1 . . . . 131 GLU N . 16302 1 606 . 1 1 132 132 GLY H H 1 8.351 0.020 . 1 . . . . 132 GLY H . 16302 1 607 . 1 1 132 132 GLY C C 13 173.791 0.3 . 1 . . . . 132 GLY C . 16302 1 608 . 1 1 132 132 GLY CA C 13 44.724 0.3 . 1 . . . . 132 GLY CA . 16302 1 609 . 1 1 132 132 GLY N N 15 110.395 0.3 . 1 . . . . 132 GLY N . 16302 1 610 . 1 1 133 133 TYR H H 1 8.027 0.020 . 1 . . . . 133 TYR H . 16302 1 611 . 1 1 133 133 TYR C C 13 175.654 0.3 . 1 . . . . 133 TYR C . 16302 1 612 . 1 1 133 133 TYR CA C 13 57.656 0.3 . 1 . . . . 133 TYR CA . 16302 1 613 . 1 1 133 133 TYR CB C 13 37.791 0.3 . 1 . . . . 133 TYR CB . 16302 1 614 . 1 1 133 133 TYR N N 15 120.880 0.3 . 1 . . . . 133 TYR N . 16302 1 615 . 1 1 134 134 GLN H H 1 8.172 0.020 . 1 . . . . 134 GLN H . 16302 1 616 . 1 1 134 134 GLN C C 13 174.843 0.3 . 1 . . . . 134 GLN C . 16302 1 617 . 1 1 134 134 GLN CA C 13 54.957 0.3 . 1 . . . . 134 GLN CA . 16302 1 618 . 1 1 134 134 GLN CB C 13 28.795 0.3 . 1 . . . . 134 GLN CB . 16302 1 619 . 1 1 134 134 GLN N N 15 123.241 0.3 . 1 . . . . 134 GLN N . 16302 1 620 . 1 1 135 135 ASP H H 1 8.189 0.020 . 1 . . . . 135 ASP H . 16302 1 621 . 1 1 135 135 ASP C C 13 175.455 0.3 . 1 . . . . 135 ASP C . 16302 1 622 . 1 1 135 135 ASP CA C 13 53.889 0.3 . 1 . . . . 135 ASP CA . 16302 1 623 . 1 1 135 135 ASP CB C 13 40.399 0.3 . 1 . . . . 135 ASP CB . 16302 1 624 . 1 1 135 135 ASP N N 15 122.201 0.3 . 1 . . . . 135 ASP N . 16302 1 625 . 1 1 136 136 TYR H H 1 7.993 0.020 . 1 . . . . 136 TYR H . 16302 1 626 . 1 1 136 136 TYR C C 13 175.016 0.3 . 1 . . . . 136 TYR C . 16302 1 627 . 1 1 136 136 TYR CA C 13 57.095 0.3 . 1 . . . . 136 TYR CA . 16302 1 628 . 1 1 136 136 TYR CB C 13 38.163 0.3 . 1 . . . . 136 TYR CB . 16302 1 629 . 1 1 136 136 TYR N N 15 120.960 0.3 . 1 . . . . 136 TYR N . 16302 1 630 . 1 1 137 137 GLU H H 1 8.217 0.020 . 1 . . . . 137 GLU H . 16302 1 631 . 1 1 137 137 GLU C C 13 173.778 0.3 . 1 . . . . 137 GLU C . 16302 1 632 . 1 1 137 137 GLU CA C 13 53.247 0.3 . 1 . . . . 137 GLU CA . 16302 1 633 . 1 1 137 137 GLU CB C 13 29.115 0.3 . 1 . . . . 137 GLU CB . 16302 1 634 . 1 1 137 137 GLU N N 15 125.882 0.3 . 1 . . . . 137 GLU N . 16302 1 635 . 1 1 139 139 GLU H H 1 8.457 0.020 . 1 . . . . 139 GLU H . 16302 1 636 . 1 1 139 139 GLU C C 13 175.361 0.3 . 1 . . . . 139 GLU C . 16302 1 637 . 1 1 139 139 GLU CA C 13 56.187 0.3 . 1 . . . . 139 GLU CA . 16302 1 638 . 1 1 139 139 GLU CB C 13 29.168 0.3 . 1 . . . . 139 GLU CB . 16302 1 639 . 1 1 139 139 GLU N N 15 122.001 0.3 . 1 . . . . 139 GLU N . 16302 1 640 . 1 1 140 140 ALA H H 1 7.932 0.020 . 1 . . . . 140 ALA H . 16302 1 641 . 1 1 140 140 ALA C C 13 182.546 0.3 . 1 . . . . 140 ALA C . 16302 1 642 . 1 1 140 140 ALA CA C 13 53.328 0.3 . 1 . . . . 140 ALA CA . 16302 1 643 . 1 1 140 140 ALA CB C 13 19.107 0.3 . 1 . . . . 140 ALA CB . 16302 1 644 . 1 1 140 140 ALA N N 15 131.285 0.3 . 1 . . . . 140 ALA N . 16302 1 stop_ save_