data_25227 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25227 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for alpha-synuclein monomer (WT) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-15 _Entry.Accession_date 2014-09-15 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christopher Waudby . A. . 25227 2 Christos Proukakis . . . 25227 3 Riccardo Porcari . . . 25227 4 Vittorio Bellotti . . . 25227 5 Anthony Shapira . H.V. . 25227 6 John Christodoulou . . . 25227 7 Carlo Camilloni . . . 25227 8 'Gian Gaetano' Tartaglia . . . 25227 9 Monica Stoppini . . . 25227 10 Guglielmo Verona . . . 25227 11 Michele Vendruscolo . . . 25227 12 Annalisa Relini . . . 25227 13 Amanda Penco . . . 25227 14 Lisa Cabrita . D. . 25227 15 Stephen Mullin . . . 25227 16 Jack Paton . F.S. . 25227 17 Patrizia Mangione . P. . 25227 18 Benedetta Bolognesi . . . 25227 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25227 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre for Amyloidosis and Acute Phase Proteins, Division of Medicine, UCL' . 25227 2 . 'Department of Structural and Molecular Biology, UCL' . 25227 3 . 'Department of Clinical Neuroscience, Institute of Neurology, UCL' . 25227 4 . 'Centre for Genomic Regulation and University Pompeu Fabra' . 25227 5 . 'Department of Molecular Medicine, Institute of Biochemistry, University of Pavia' . 25227 6 . 'Department of Chemistry, University of Cambridge' . 25227 7 . 'Department of Physics, University of Genoa' . 25227 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25227 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 25227 '15N chemical shifts' 131 25227 '1H chemical shifts' 269 25227 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 . . 2015-09-04 . original BMRB . 25227 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25228 'aSyn H50Q monomer' 25227 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25227 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25505181 _Citation.Full_citation . _Citation.Title ; The H50Q mutation induces a 10-fold decrease in the solubility of alpha-synuclein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 4 _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 2395 _Citation.Page_last 2404 _Citation.Year 2015 _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 Riccardo Porcari . . . 25227 1 2 Christos Proukakis . . . 25227 1 3 Christopher Waudby . A. . 25227 1 4 Benedetta Bolognesi . . . 25227 1 5 Patrizia Mangione . P. . 25227 1 6 Jack Paton . F.S. . 25227 1 7 Stephen Mullin . . . 25227 1 8 Lisa Cabrita . D. . 25227 1 9 Amanda Penco . . . 25227 1 10 Annalisa Relini . . . 25227 1 11 Guglielmo Verona . . . 25227 1 12 Michele Vendruscolo . . . 25227 1 13 Monica Stoppini . . . 25227 1 14 'Gian Gaetano' Tartaglia . . . 25227 1 15 Carlo Camilloni . . . 25227 1 16 John Christodoulou . . . 25227 1 17 Anthony Shapira . H.V. . 25227 1 18 Vittorio Bellotti . . . 25227 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25227 _Assembly.ID 1 _Assembly.Name 'aSyn WT monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14442.0329 _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-WT 1 $aSyn-WT A . yes unfolded no no . . . 25227 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aSyn-WT _Entity.Sf_category entity _Entity.Sf_framecode aSyn-WT _Entity.Entry_ID 25227 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aSyn-WT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14442.0329 _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 . . . . 25227 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 3 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 25227 1 6 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 25227 1 7 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 25227 1 8 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 9 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 25227 1 10 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 25227 1 11 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 12 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 2.27e-87 . . . . 25227 1 13 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 25227 1 14 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 25227 1 15 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 5.32e-89 . . . . 25227 1 16 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 25227 1 17 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 25227 1 18 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 25227 1 19 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 25227 1 20 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 21 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 22 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 23 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 24 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 25227 1 25 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 100.00 4.55e-89 . . . . 25227 1 26 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 25227 1 27 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 28 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 25227 1 29 no BMRB 25228 . H50Q . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25227 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 32 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 97.06 99.02 2.67e-56 . . . . 25227 1 33 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 34 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 35 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 36 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 37 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 38 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 98.57 98.57 5.92e-88 . . . . 25227 1 39 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 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 . . . . 25227 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 . . . . 25227 1 42 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 43 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 44 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 97.86 1.65e-86 . . . . 25227 1 45 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 99.29 99.29 1.99e-88 . . . . 25227 1 46 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 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 . . . . 25227 1 48 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 100.00 2.50e-89 . . . . 25227 1 49 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 25227 1 50 no SP P61142 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 25227 1 51 no SP P61143 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 25227 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25227 1 2 2 ASP . 25227 1 3 3 VAL . 25227 1 4 4 PHE . 25227 1 5 5 MET . 25227 1 6 6 LYS . 25227 1 7 7 GLY . 25227 1 8 8 LEU . 25227 1 9 9 SER . 25227 1 10 10 LYS . 25227 1 11 11 ALA . 25227 1 12 12 LYS . 25227 1 13 13 GLU . 25227 1 14 14 GLY . 25227 1 15 15 VAL . 25227 1 16 16 VAL . 25227 1 17 17 ALA . 25227 1 18 18 ALA . 25227 1 19 19 ALA . 25227 1 20 20 GLU . 25227 1 21 21 LYS . 25227 1 22 22 THR . 25227 1 23 23 LYS . 25227 1 24 24 GLN . 25227 1 25 25 GLY . 25227 1 26 26 VAL . 25227 1 27 27 ALA . 25227 1 28 28 GLU . 25227 1 29 29 ALA . 25227 1 30 30 ALA . 25227 1 31 31 GLY . 25227 1 32 32 LYS . 25227 1 33 33 THR . 25227 1 34 34 LYS . 25227 1 35 35 GLU . 25227 1 36 36 GLY . 25227 1 37 37 VAL . 25227 1 38 38 LEU . 25227 1 39 39 TYR . 25227 1 40 40 VAL . 25227 1 41 41 GLY . 25227 1 42 42 SER . 25227 1 43 43 LYS . 25227 1 44 44 THR . 25227 1 45 45 LYS . 25227 1 46 46 GLU . 25227 1 47 47 GLY . 25227 1 48 48 VAL . 25227 1 49 49 VAL . 25227 1 50 50 HIS . 25227 1 51 51 GLY . 25227 1 52 52 VAL . 25227 1 53 53 ALA . 25227 1 54 54 THR . 25227 1 55 55 VAL . 25227 1 56 56 ALA . 25227 1 57 57 GLU . 25227 1 58 58 LYS . 25227 1 59 59 THR . 25227 1 60 60 LYS . 25227 1 61 61 GLU . 25227 1 62 62 GLN . 25227 1 63 63 VAL . 25227 1 64 64 THR . 25227 1 65 65 ASN . 25227 1 66 66 VAL . 25227 1 67 67 GLY . 25227 1 68 68 GLY . 25227 1 69 69 ALA . 25227 1 70 70 VAL . 25227 1 71 71 VAL . 25227 1 72 72 THR . 25227 1 73 73 GLY . 25227 1 74 74 VAL . 25227 1 75 75 THR . 25227 1 76 76 ALA . 25227 1 77 77 VAL . 25227 1 78 78 ALA . 25227 1 79 79 GLN . 25227 1 80 80 LYS . 25227 1 81 81 THR . 25227 1 82 82 VAL . 25227 1 83 83 GLU . 25227 1 84 84 GLY . 25227 1 85 85 ALA . 25227 1 86 86 GLY . 25227 1 87 87 SER . 25227 1 88 88 ILE . 25227 1 89 89 ALA . 25227 1 90 90 ALA . 25227 1 91 91 ALA . 25227 1 92 92 THR . 25227 1 93 93 GLY . 25227 1 94 94 PHE . 25227 1 95 95 VAL . 25227 1 96 96 LYS . 25227 1 97 97 LYS . 25227 1 98 98 ASP . 25227 1 99 99 GLN . 25227 1 100 100 LEU . 25227 1 101 101 GLY . 25227 1 102 102 LYS . 25227 1 103 103 ASN . 25227 1 104 104 GLU . 25227 1 105 105 GLU . 25227 1 106 106 GLY . 25227 1 107 107 ALA . 25227 1 108 108 PRO . 25227 1 109 109 GLN . 25227 1 110 110 GLU . 25227 1 111 111 GLY . 25227 1 112 112 ILE . 25227 1 113 113 LEU . 25227 1 114 114 GLU . 25227 1 115 115 ASP . 25227 1 116 116 MET . 25227 1 117 117 PRO . 25227 1 118 118 VAL . 25227 1 119 119 ASP . 25227 1 120 120 PRO . 25227 1 121 121 ASP . 25227 1 122 122 ASN . 25227 1 123 123 GLU . 25227 1 124 124 ALA . 25227 1 125 125 TYR . 25227 1 126 126 GLU . 25227 1 127 127 MET . 25227 1 128 128 PRO . 25227 1 129 129 SER . 25227 1 130 130 GLU . 25227 1 131 131 GLU . 25227 1 132 132 GLY . 25227 1 133 133 TYR . 25227 1 134 134 GLN . 25227 1 135 135 ASP . 25227 1 136 136 TYR . 25227 1 137 137 GLU . 25227 1 138 138 PRO . 25227 1 139 139 GLU . 25227 1 140 140 ALA . 25227 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 25227 1 . ASP 2 2 25227 1 . VAL 3 3 25227 1 . PHE 4 4 25227 1 . MET 5 5 25227 1 . LYS 6 6 25227 1 . GLY 7 7 25227 1 . LEU 8 8 25227 1 . SER 9 9 25227 1 . LYS 10 10 25227 1 . ALA 11 11 25227 1 . LYS 12 12 25227 1 . GLU 13 13 25227 1 . GLY 14 14 25227 1 . VAL 15 15 25227 1 . VAL 16 16 25227 1 . ALA 17 17 25227 1 . ALA 18 18 25227 1 . ALA 19 19 25227 1 . GLU 20 20 25227 1 . LYS 21 21 25227 1 . THR 22 22 25227 1 . LYS 23 23 25227 1 . GLN 24 24 25227 1 . GLY 25 25 25227 1 . VAL 26 26 25227 1 . ALA 27 27 25227 1 . GLU 28 28 25227 1 . ALA 29 29 25227 1 . ALA 30 30 25227 1 . GLY 31 31 25227 1 . LYS 32 32 25227 1 . THR 33 33 25227 1 . LYS 34 34 25227 1 . GLU 35 35 25227 1 . GLY 36 36 25227 1 . VAL 37 37 25227 1 . LEU 38 38 25227 1 . TYR 39 39 25227 1 . VAL 40 40 25227 1 . GLY 41 41 25227 1 . SER 42 42 25227 1 . LYS 43 43 25227 1 . THR 44 44 25227 1 . LYS 45 45 25227 1 . GLU 46 46 25227 1 . GLY 47 47 25227 1 . VAL 48 48 25227 1 . VAL 49 49 25227 1 . HIS 50 50 25227 1 . GLY 51 51 25227 1 . VAL 52 52 25227 1 . ALA 53 53 25227 1 . THR 54 54 25227 1 . VAL 55 55 25227 1 . ALA 56 56 25227 1 . GLU 57 57 25227 1 . LYS 58 58 25227 1 . THR 59 59 25227 1 . LYS 60 60 25227 1 . GLU 61 61 25227 1 . GLN 62 62 25227 1 . VAL 63 63 25227 1 . THR 64 64 25227 1 . ASN 65 65 25227 1 . VAL 66 66 25227 1 . GLY 67 67 25227 1 . GLY 68 68 25227 1 . ALA 69 69 25227 1 . VAL 70 70 25227 1 . VAL 71 71 25227 1 . THR 72 72 25227 1 . GLY 73 73 25227 1 . VAL 74 74 25227 1 . THR 75 75 25227 1 . ALA 76 76 25227 1 . VAL 77 77 25227 1 . ALA 78 78 25227 1 . GLN 79 79 25227 1 . LYS 80 80 25227 1 . THR 81 81 25227 1 . VAL 82 82 25227 1 . GLU 83 83 25227 1 . GLY 84 84 25227 1 . ALA 85 85 25227 1 . GLY 86 86 25227 1 . SER 87 87 25227 1 . ILE 88 88 25227 1 . ALA 89 89 25227 1 . ALA 90 90 25227 1 . ALA 91 91 25227 1 . THR 92 92 25227 1 . GLY 93 93 25227 1 . PHE 94 94 25227 1 . VAL 95 95 25227 1 . LYS 96 96 25227 1 . LYS 97 97 25227 1 . ASP 98 98 25227 1 . GLN 99 99 25227 1 . LEU 100 100 25227 1 . GLY 101 101 25227 1 . LYS 102 102 25227 1 . ASN 103 103 25227 1 . GLU 104 104 25227 1 . GLU 105 105 25227 1 . GLY 106 106 25227 1 . ALA 107 107 25227 1 . PRO 108 108 25227 1 . GLN 109 109 25227 1 . GLU 110 110 25227 1 . GLY 111 111 25227 1 . ILE 112 112 25227 1 . LEU 113 113 25227 1 . GLU 114 114 25227 1 . ASP 115 115 25227 1 . MET 116 116 25227 1 . PRO 117 117 25227 1 . VAL 118 118 25227 1 . ASP 119 119 25227 1 . PRO 120 120 25227 1 . ASP 121 121 25227 1 . ASN 122 122 25227 1 . GLU 123 123 25227 1 . ALA 124 124 25227 1 . TYR 125 125 25227 1 . GLU 126 126 25227 1 . MET 127 127 25227 1 . PRO 128 128 25227 1 . SER 129 129 25227 1 . GLU 130 130 25227 1 . GLU 131 131 25227 1 . GLY 132 132 25227 1 . TYR 133 133 25227 1 . GLN 134 134 25227 1 . ASP 135 135 25227 1 . TYR 136 136 25227 1 . GLU 137 137 25227 1 . PRO 138 138 25227 1 . GLU 139 139 25227 1 . ALA 140 140 25227 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 25227 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $aSyn-WT . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SNCA . 25227 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 25227 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $aSyn-WT . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . pT7.7 . . . 25227 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25227 _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 aSyn-WT '[U-13C; U-15N]' . . 1 $aSyn-WT . . 0.5 . . mM . . . . 25227 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 25227 1 3 NaCl 'natural abundance' . . . . . . 100.0 . . mM . . . . 25227 1 4 NaN3 'natural abundance' . . . . . . 1e-07 . . kg/m3 . . . . 25227 1 5 DSS 'natural abundance' . . . . . . 1e-08 . . kg/m3 . . . . 25227 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25227 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25227 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 25227 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.500 . pH 25227 1 pressure 1.000 . atm 25227 1 temperature 283.000 . K 25227 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25227 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25227 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 25227 1 'peak picking' 25227 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 25227 _Software.ID 2 _Software.Name TopSpin _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 25227 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 25227 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25227 _Software.ID 3 _Software.Name nmrPipe _Software.Version 7.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25227 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25227 3 stop_ save_ save_manual_assignment _Method.Sf_category method _Method.Sf_framecode manual_assignment _Method.Entry_ID 25227 _Method.ID 1 _Method.Derivation_type . _Method.Details 'manual assignment' _Method.Computer_ID . _Method.Computer_label . save_ save_acquisition _Method.Sf_category method _Method.Sf_framecode acquisition _Method.Entry_ID 25227 _Method.ID 2 _Method.Derivation_type . _Method.Details acquisition _Method.Computer_ID . _Method.Computer_label . save_ save_processing _Method.Sf_category method _Method.Sf_framecode processing _Method.Entry_ID 25227 _Method.ID 3 _Method.Derivation_type . _Method.Details processing _Method.Computer_ID . _Method.Computer_label . 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 25227 _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 25227 _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 . . . 25227 1 stop_ save_ save_TXI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TXI _NMR_spectrometer_probe.Entry_ID 25227 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model TXI _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25227 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 25227 _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 HACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25227 1 2 '3D BEST-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25227 1 3 '3D BEST-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25227 1 4 '3D BEST-HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25227 1 5 '3D BEST-iHNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25227 1 6 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25227 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 25227 _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 . . . . . . . . . 25227 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25227 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25227 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25227 _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 HACONH' 1 $sample_1 isotropic 25227 1 2 '3D BEST-HNCACB' 1 $sample_1 isotropic 25227 1 3 '3D BEST-HNCO' 1 $sample_1 isotropic 25227 1 4 '3D BEST-HNCOCACB' 1 $sample_1 isotropic 25227 1 5 '3D BEST-iHNCO' 1 $sample_1 isotropic 25227 1 6 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 25227 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis 1 $manual_assignment 25227 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 HA H 1 4.662 . . 1 . 754 . . 2 ASP HA . 25227 1 2 . 1 1 2 2 ASP C C 13 176.085 . . 1 . 755 . . 2 ASP C . 25227 1 3 . 1 1 2 2 ASP CA C 13 54.262 . . 1 . 764 . . 2 ASP CA . 25227 1 4 . 1 1 2 2 ASP CB C 13 41.540 . . 1 . 767 . . 2 ASP CB . 25227 1 5 . 1 1 3 3 VAL H H 1 8.295 0.001 . 1 . 765 . . 3 VAL H . 25227 1 6 . 1 1 3 3 VAL HA H 1 3.998 . . 1 . 763 . . 3 VAL HA . 25227 1 7 . 1 1 3 3 VAL C C 13 176.022 . . 1 . 756 . . 3 VAL C . 25227 1 8 . 1 1 3 3 VAL CA C 13 62.646 . . 1 . 757 . . 3 VAL CA . 25227 1 9 . 1 1 3 3 VAL CB C 13 32.672 0.013 . 1 . 759 . . 3 VAL CB . 25227 1 10 . 1 1 3 3 VAL N N 15 120.442 0.025 . 1 . 766 . . 3 VAL N . 25227 1 11 . 1 1 4 4 PHE H H 1 8.403 0.001 . 1 . 761 . . 4 PHE H . 25227 1 12 . 1 1 4 4 PHE HA H 1 4.582 . . 1 . 768 . . 4 PHE HA . 25227 1 13 . 1 1 4 4 PHE C C 13 175.931 0.002 . 1 . 760 . . 4 PHE C . 25227 1 14 . 1 1 4 4 PHE CA C 13 58.080 0.017 . 1 . 758 . . 4 PHE CA . 25227 1 15 . 1 1 4 4 PHE CB C 13 39.323 0.02 . 1 . 772 . . 4 PHE CB . 25227 1 16 . 1 1 4 4 PHE N N 15 123.589 0.023 . 1 . 762 . . 4 PHE N . 25227 1 17 . 1 1 5 5 MET H H 1 8.276 0.002 . 1 . 750 . . 5 MET H . 25227 1 18 . 1 1 5 5 MET HA H 1 4.368 . . 1 . 774 . . 5 MET HA . 25227 1 19 . 1 1 5 5 MET C C 13 176.034 0.013 . 1 . 769 . . 5 MET C . 25227 1 20 . 1 1 5 5 MET CA C 13 55.446 . . 1 . 771 . . 5 MET CA . 25227 1 21 . 1 1 5 5 MET CB C 13 32.675 . . 1 . 770 . . 5 MET CB . 25227 1 22 . 1 1 5 5 MET N N 15 122.359 0.019 . 1 . 751 . . 5 MET N . 25227 1 23 . 1 1 6 6 LYS H H 1 8.338 0.001 . 1 . 752 . . 6 LYS H . 25227 1 24 . 1 1 6 6 LYS HA H 1 4.183 . . 1 . 777 . . 6 LYS HA . 25227 1 25 . 1 1 6 6 LYS C C 13 177.214 . . 1 . 773 . . 6 LYS C . 25227 1 26 . 1 1 6 6 LYS CA C 13 56.928 . . 1 . 779 . . 6 LYS CA . 25227 1 27 . 1 1 6 6 LYS CB C 13 32.860 . . 1 . 778 . . 6 LYS CB . 25227 1 28 . 1 1 6 6 LYS N N 15 122.722 0.012 . 1 . 753 . . 6 LYS N . 25227 1 29 . 1 1 7 7 GLY H H 1 8.479 0.002 . 1 . 775 . . 7 GLY H . 25227 1 30 . 1 1 7 7 GLY HA2 H 1 3.921 . . 1 . 670 . . 7 GLY HA2 . 25227 1 31 . 1 1 7 7 GLY C C 13 174.236 0.007 . 1 . 289 . . 7 GLY C . 25227 1 32 . 1 1 7 7 GLY CA C 13 45.312 0.031 . 1 . 477 . . 7 GLY CA . 25227 1 33 . 1 1 7 7 GLY N N 15 109.975 0.007 . 1 . 776 . . 7 GLY N . 25227 1 34 . 1 1 8 8 LEU H H 1 8.121 0.002 . 1 . 117 . . 8 LEU H . 25227 1 35 . 1 1 8 8 LEU HA H 1 4.363 . . 1 . 631 . . 8 LEU HA . 25227 1 36 . 1 1 8 8 LEU C C 13 177.747 0.023 . 1 . 290 . . 8 LEU C . 25227 1 37 . 1 1 8 8 LEU CA C 13 55.232 0.042 . 1 . 478 . . 8 LEU CA . 25227 1 38 . 1 1 8 8 LEU CB C 13 42.500 0.004 . 1 . 476 . . 8 LEU CB . 25227 1 39 . 1 1 8 8 LEU N N 15 121.621 0.016 . 1 . 118 . . 8 LEU N . 25227 1 40 . 1 1 9 9 SER H H 1 8.389 0.003 . 1 . 1 . . 9 SER H . 25227 1 41 . 1 1 9 9 SER HA H 1 4.394 . . 1 . 696 . . 9 SER HA . 25227 1 42 . 1 1 9 9 SER CA C 13 58.522 . . 1 . 376 . . 9 SER CA . 25227 1 43 . 1 1 9 9 SER CB C 13 63.739 . . 1 . 377 . . 9 SER CB . 25227 1 44 . 1 1 9 9 SER N N 15 116.804 0.016 . 1 . 2 . . 9 SER N . 25227 1 45 . 1 1 10 10 LYS H H 1 8.436 . . 1 . 207 . . 10 LYS H . 25227 1 46 . 1 1 10 10 LYS HA H 1 4.291 . . 1 . 711 . . 10 LYS HA . 25227 1 47 . 1 1 10 10 LYS C C 13 176.556 . . 1 . 581 . . 10 LYS C . 25227 1 48 . 1 1 10 10 LYS CA C 13 56.283 . . 1 . 493 . . 10 LYS CA . 25227 1 49 . 1 1 10 10 LYS N N 15 123.780 . . 1 . 208 . . 10 LYS N . 25227 1 50 . 1 1 11 11 ALA H H 1 8.366 0.001 . 1 . 155 . . 11 ALA H . 25227 1 51 . 1 1 11 11 ALA HA H 1 4.239 . . 1 . 663 . . 11 ALA HA . 25227 1 52 . 1 1 11 11 ALA C C 13 177.981 0.002 . 1 . 331 . . 11 ALA C . 25227 1 53 . 1 1 11 11 ALA CA C 13 52.723 0.031 . 1 . 455 . . 11 ALA CA . 25227 1 54 . 1 1 11 11 ALA CB C 13 19.196 . . 1 . 806 . . 11 ALA CB . 25227 1 55 . 1 1 11 11 ALA N N 15 125.410 0.018 . 1 . 156 . . 11 ALA N . 25227 1 56 . 1 1 12 12 LYS H H 1 8.411 0.001 . 1 . 27 . . 12 LYS H . 25227 1 57 . 1 1 12 12 LYS HA H 1 4.246 . . 1 . 736 . . 12 LYS HA . 25227 1 58 . 1 1 12 12 LYS C C 13 176.755 0.006 . 1 . 280 . . 12 LYS C . 25227 1 59 . 1 1 12 12 LYS CA C 13 56.585 0.062 . 1 . 780 . . 12 LYS CA . 25227 1 60 . 1 1 12 12 LYS CB C 13 32.960 0.007 . 1 . 454 . . 12 LYS CB . 25227 1 61 . 1 1 12 12 LYS N N 15 121.010 0.019 . 1 . 28 . . 12 LYS N . 25227 1 62 . 1 1 13 13 GLU H H 1 8.504 0.003 . 1 . 605 . . 13 GLU H . 25227 1 63 . 1 1 13 13 GLU HA H 1 4.234 . . 1 . 730 . . 13 GLU HA . 25227 1 64 . 1 1 13 13 GLU C C 13 177.100 0.008 . 1 . 598 . . 13 GLU C . 25227 1 65 . 1 1 13 13 GLU CB C 13 30.332 . . 1 . 805 . . 13 GLU CB . 25227 1 66 . 1 1 13 13 GLU N N 15 122.389 0.044 . 1 . 606 . . 13 GLU N . 25227 1 67 . 1 1 14 14 GLY H H 1 8.531 0.002 . 1 . 586 . . 14 GLY H . 25227 1 68 . 1 1 14 14 GLY HA2 H 1 3.936 . . 1 . 650 . . 14 GLY HA2 . 25227 1 69 . 1 1 14 14 GLY C C 13 174.077 0.001 . 1 . 266 . . 14 GLY C . 25227 1 70 . 1 1 14 14 GLY CA C 13 45.340 . . 1 . 430 . . 14 GLY CA . 25227 1 71 . 1 1 14 14 GLY N N 15 110.240 0.006 . 1 . 587 . . 14 GLY N . 25227 1 72 . 1 1 15 15 VAL H H 1 8.044 0.001 . 1 . 209 . . 15 VAL H . 25227 1 73 . 1 1 15 15 VAL HA H 1 4.069 . . 1 . 712 . . 15 VAL HA . 25227 1 74 . 1 1 15 15 VAL C C 13 176.564 0.001 . 1 . 267 . . 15 VAL C . 25227 1 75 . 1 1 15 15 VAL CA C 13 62.667 0.004 . 1 . 429 . . 15 VAL CA . 25227 1 76 . 1 1 15 15 VAL CB C 13 32.704 . . 1 . 431 . . 15 VAL CB . 25227 1 77 . 1 1 15 15 VAL N N 15 120.299 0.016 . 1 . 210 . . 15 VAL N . 25227 1 78 . 1 1 16 16 VAL H H 1 8.368 0.003 . 1 . 151 . . 16 VAL H . 25227 1 79 . 1 1 16 16 VAL HA H 1 4.043 . . 1 . 728 . . 16 VAL HA . 25227 1 80 . 1 1 16 16 VAL C C 13 176.078 0.001 . 1 . 332 . . 16 VAL C . 25227 1 81 . 1 1 16 16 VAL CA C 13 62.479 0.005 . 1 . 582 . . 16 VAL CA . 25227 1 82 . 1 1 16 16 VAL CB C 13 32.754 0.124 . 1 . 583 . . 16 VAL CB . 25227 1 83 . 1 1 16 16 VAL N N 15 125.465 0.028 . 1 . 152 . . 16 VAL N . 25227 1 84 . 1 1 17 17 ALA H H 1 8.521 0.001 . 1 . 31 . . 17 ALA H . 25227 1 85 . 1 1 17 17 ALA HA H 1 4.243 . . 1 . 698 . . 17 ALA HA . 25227 1 86 . 1 1 17 17 ALA C C 13 177.765 0.0 . 1 . 348 . . 17 ALA C . 25227 1 87 . 1 1 17 17 ALA CA C 13 52.610 . . 1 . 541 . . 17 ALA CA . 25227 1 88 . 1 1 17 17 ALA CB C 13 19.093 . . 1 . 540 . . 17 ALA CB . 25227 1 89 . 1 1 17 17 ALA N N 15 128.598 0.015 . 1 . 32 . . 17 ALA N . 25227 1 90 . 1 1 18 18 ALA H H 1 8.386 0.001 . 1 . 157 . . 18 ALA H . 25227 1 91 . 1 1 18 18 ALA HA H 1 4.210 . . 1 . 687 . . 18 ALA HA . 25227 1 92 . 1 1 18 18 ALA C C 13 177.994 0.01 . 1 . 317 . . 18 ALA C . 25227 1 93 . 1 1 18 18 ALA CA C 13 52.766 . . 1 . 577 . . 18 ALA CA . 25227 1 94 . 1 1 18 18 ALA CB C 13 19.062 . . 1 . 578 . . 18 ALA CB . 25227 1 95 . 1 1 18 18 ALA N N 15 123.812 0.013 . 1 . 158 . . 18 ALA N . 25227 1 96 . 1 1 19 19 ALA H H 1 8.346 0.001 . 1 . 85 . . 19 ALA H . 25227 1 97 . 1 1 19 19 ALA HA H 1 4.243 . . 1 . 647 . . 19 ALA HA . 25227 1 98 . 1 1 19 19 ALA C C 13 178.279 0.001 . 1 . 307 . . 19 ALA C . 25227 1 99 . 1 1 19 19 ALA CA C 13 52.800 . . 1 . 423 . . 19 ALA CA . 25227 1 100 . 1 1 19 19 ALA CB C 13 19.041 . . 1 . 425 . . 19 ALA CB . 25227 1 101 . 1 1 19 19 ALA N N 15 123.224 0.018 . 1 . 86 . . 19 ALA N . 25227 1 102 . 1 1 20 20 GLU H H 1 8.396 0.002 . 1 . 163 . . 20 GLU H . 25227 1 103 . 1 1 20 20 GLU HA H 1 4.208 . . 1 . 680 . . 20 GLU HA . 25227 1 104 . 1 1 20 20 GLU C C 13 177.000 0.003 . 1 . 263 . . 20 GLU C . 25227 1 105 . 1 1 20 20 GLU CA C 13 56.865 . . 1 . 422 . . 20 GLU CA . 25227 1 106 . 1 1 20 20 GLU CB C 13 30.248 0.001 . 1 . 424 . . 20 GLU CB . 25227 1 107 . 1 1 20 20 GLU N N 15 120.230 0.018 . 1 . 164 . . 20 GLU N . 25227 1 108 . 1 1 21 21 LYS H H 1 8.406 0.001 . 1 . 127 . . 21 LYS H . 25227 1 109 . 1 1 21 21 LYS HA H 1 4.308 . . 1 . 625 . . 21 LYS HA . 25227 1 110 . 1 1 21 21 LYS C C 13 177.226 0.005 . 1 . 297 . . 21 LYS C . 25227 1 111 . 1 1 21 21 LYS CA C 13 56.811 0.031 . 1 . 554 . . 21 LYS CA . 25227 1 112 . 1 1 21 21 LYS CB C 13 32.873 0.056 . 1 . 553 . . 21 LYS CB . 25227 1 113 . 1 1 21 21 LYS N N 15 122.439 0.016 . 1 . 128 . . 21 LYS N . 25227 1 114 . 1 1 22 22 THR H H 1 8.211 0.002 . 1 . 143 . . 22 THR H . 25227 1 115 . 1 1 22 22 THR HA H 1 4.259 . . 1 . 697 . . 22 THR HA . 25227 1 116 . 1 1 22 22 THR C C 13 174.760 0.0 . 1 . 242 . . 22 THR C . 25227 1 117 . 1 1 22 22 THR CA C 13 62.431 0.008 . 1 . 546 . . 22 THR CA . 25227 1 118 . 1 1 22 22 THR CB C 13 69.849 0.047 . 1 . 547 . . 22 THR CB . 25227 1 119 . 1 1 22 22 THR N N 15 115.495 0.035 . 1 . 144 . . 22 THR N . 25227 1 120 . 1 1 23 23 LYS H H 1 8.422 0.002 . 1 . 135 . . 23 LYS H . 25227 1 121 . 1 1 23 23 LYS HA H 1 4.274 . . 1 . 673 . . 23 LYS HA . 25227 1 122 . 1 1 23 23 LYS C C 13 176.789 0.003 . 1 . 321 . . 23 LYS C . 25227 1 123 . 1 1 23 23 LYS CA C 13 56.803 0.036 . 1 . 499 . . 23 LYS CA . 25227 1 124 . 1 1 23 23 LYS CB C 13 32.922 0.064 . 1 . 498 . . 23 LYS CB . 25227 1 125 . 1 1 23 23 LYS N N 15 123.932 0.033 . 1 . 136 . . 23 LYS N . 25227 1 126 . 1 1 24 24 GLN H H 1 8.501 0.002 . 1 . 25 . . 24 GLN H . 25227 1 127 . 1 1 24 24 GLN HA H 1 4.276 . . 1 . 616 . . 24 GLN HA . 25227 1 128 . 1 1 24 24 GLN C C 13 176.675 0.004 . 1 . 300 . . 24 GLN C . 25227 1 129 . 1 1 24 24 GLN CA C 13 56.161 0.103 . 1 . 359 . . 24 GLN CA . 25227 1 130 . 1 1 24 24 GLN CB C 13 29.427 0.055 . 1 . 358 . . 24 GLN CB . 25227 1 131 . 1 1 24 24 GLN N N 15 121.815 0.029 . 1 . 26 . . 24 GLN N . 25227 1 132 . 1 1 25 25 GLY H H 1 8.549 0.002 . 1 . 9 . . 25 GLY H . 25227 1 133 . 1 1 25 25 GLY HA2 H 1 3.927 . . 2 . 743 . . 25 GLY HA2 . 25227 1 134 . 1 1 25 25 GLY HA3 H 1 3.973 . . 2 . 744 . . 25 GLY HA3 . 25227 1 135 . 1 1 25 25 GLY C C 13 174.338 0.017 . 1 . 233 . . 25 GLY C . 25227 1 136 . 1 1 25 25 GLY CA C 13 45.334 0.033 . 1 . 412 . . 25 GLY CA . 25227 1 137 . 1 1 25 25 GLY N N 15 110.655 0.038 . 1 . 10 . . 25 GLY N . 25227 1 138 . 1 1 26 26 VAL H H 1 8.084 0.002 . 1 . 745 . . 26 VAL H . 25227 1 139 . 1 1 26 26 VAL HA H 1 4.050 . . 1 . 722 . . 26 VAL HA . 25227 1 140 . 1 1 26 26 VAL C C 13 176.474 0.004 . 1 . 258 . . 26 VAL C . 25227 1 141 . 1 1 26 26 VAL CA C 13 62.695 0.012 . 1 . 411 . . 26 VAL CA . 25227 1 142 . 1 1 26 26 VAL CB C 13 32.776 0.053 . 1 . 410 . . 26 VAL CB . 25227 1 143 . 1 1 26 26 VAL N N 15 119.959 0.059 . 1 . 746 . . 26 VAL N . 25227 1 144 . 1 1 27 27 ALA H H 1 8.491 0.001 . 1 . 175 . . 27 ALA H . 25227 1 145 . 1 1 27 27 ALA HA H 1 4.266 . . 1 . 656 . . 27 ALA HA . 25227 1 146 . 1 1 27 27 ALA C C 13 178.234 0.0 . 1 . 342 . . 27 ALA C . 25227 1 147 . 1 1 27 27 ALA CA C 13 52.839 0.025 . 1 . 557 . . 27 ALA CA . 25227 1 148 . 1 1 27 27 ALA CB C 13 19.031 0.011 . 1 . 531 . . 27 ALA CB . 25227 1 149 . 1 1 27 27 ALA N N 15 127.491 0.017 . 1 . 176 . . 27 ALA N . 25227 1 150 . 1 1 28 28 GLU H H 1 8.470 0.002 . 1 . 113 . . 28 GLU H . 25227 1 151 . 1 1 28 28 GLU HA H 1 4.177 . . 1 . 709 . . 28 GLU HA . 25227 1 152 . 1 1 28 28 GLU C C 13 176.758 0.008 . 1 . 274 . . 28 GLU C . 25227 1 153 . 1 1 28 28 GLU CA C 13 56.942 0.016 . 1 . 445 . . 28 GLU CA . 25227 1 154 . 1 1 28 28 GLU CB C 13 30.219 0.001 . 1 . 444 . . 28 GLU CB . 25227 1 155 . 1 1 28 28 GLU N N 15 120.670 0.018 . 1 . 114 . . 28 GLU N . 25227 1 156 . 1 1 29 29 ALA H H 1 8.367 0.001 . 1 . 55 . . 29 ALA H . 25227 1 157 . 1 1 29 29 ALA HA H 1 4.241 . . 1 . 800 . . 29 ALA HA . 25227 1 158 . 1 1 29 29 ALA C C 13 177.831 0.006 . 1 . 328 . . 29 ALA C . 25227 1 159 . 1 1 29 29 ALA CA C 13 52.783 . . 1 . 513 . . 29 ALA CA . 25227 1 160 . 1 1 29 29 ALA CB C 13 19.033 . . 1 . 512 . . 29 ALA CB . 25227 1 161 . 1 1 29 29 ALA N N 15 125.022 0.01 . 1 . 56 . . 29 ALA N . 25227 1 162 . 1 1 30 30 ALA H H 1 8.303 0.001 . 1 . 798 . . 30 ALA H . 25227 1 163 . 1 1 30 30 ALA HA H 1 4.266 . . 1 . 781 . . 30 ALA HA . 25227 1 164 . 1 1 30 30 ALA C C 13 178.530 0.007 . 1 . 784 . . 30 ALA C . 25227 1 165 . 1 1 30 30 ALA CA C 13 52.825 . . 1 . 782 . . 30 ALA CA . 25227 1 166 . 1 1 30 30 ALA CB C 13 19.049 . . 1 . 783 . . 30 ALA CB . 25227 1 167 . 1 1 30 30 ALA N N 15 123.137 0.015 . 1 . 799 . . 30 ALA N . 25227 1 168 . 1 1 31 31 GLY H H 1 8.376 0.001 . 1 . 171 . . 31 GLY H . 25227 1 169 . 1 1 31 31 GLY HA2 H 1 3.901 . . 2 . 658 . . 31 GLY HA2 . 25227 1 170 . 1 1 31 31 GLY HA3 H 1 3.947 . . 2 . 659 . . 31 GLY HA3 . 25227 1 171 . 1 1 31 31 GLY C C 13 174.243 0.002 . 1 . 227 . . 31 GLY C . 25227 1 172 . 1 1 31 31 GLY CA C 13 45.359 0.005 . 1 . 349 . . 31 GLY CA . 25227 1 173 . 1 1 31 31 GLY N N 15 107.858 0.03 . 1 . 172 . . 31 GLY N . 25227 1 174 . 1 1 32 32 LYS H H 1 8.174 0.005 . 1 . 53 . . 32 LYS H . 25227 1 175 . 1 1 32 32 LYS HA H 1 4.401 . . 1 . 628 . . 32 LYS HA . 25227 1 176 . 1 1 32 32 LYS C C 13 177.086 0.012 . 1 . 277 . . 32 LYS C . 25227 1 177 . 1 1 32 32 LYS CA C 13 56.310 0.02 . 1 . 449 . . 32 LYS CA . 25227 1 178 . 1 1 32 32 LYS CB C 13 33.225 0.011 . 1 . 448 . . 32 LYS CB . 25227 1 179 . 1 1 32 32 LYS N N 15 120.801 0.027 . 1 . 54 . . 32 LYS N . 25227 1 180 . 1 1 33 33 THR H H 1 8.306 0.005 . 1 . 123 . . 33 THR H . 25227 1 181 . 1 1 33 33 THR HA H 1 4.324 . . 1 . 749 . . 33 THR HA . 25227 1 182 . 1 1 33 33 THR C C 13 174.693 . . 1 . 747 . . 33 THR C . 25227 1 183 . 1 1 33 33 THR CA C 13 61.978 . . 1 . 371 . . 33 THR CA . 25227 1 184 . 1 1 33 33 THR CB C 13 69.987 . . 1 . 370 . . 33 THR CB . 25227 1 185 . 1 1 33 33 THR N N 15 115.816 0.056 . 1 . 124 . . 33 THR N . 25227 1 186 . 1 1 34 34 LYS H H 1 8.549 0.001 . 1 . 795 . . 34 LYS H . 25227 1 187 . 1 1 34 34 LYS C C 13 176.569 . . 1 . 797 . . 34 LYS C . 25227 1 188 . 1 1 34 34 LYS N N 15 124.019 0.004 . 1 . 796 . . 34 LYS N . 25227 1 189 . 1 1 35 35 GLU HA H 1 4.235 . . 1 . 732 . . 35 GLU HA . 25227 1 190 . 1 1 35 35 GLU C C 13 176.989 . . 1 . 597 . . 35 GLU C . 25227 1 191 . 1 1 35 35 GLU CA C 13 56.921 . . 1 . 791 . . 35 GLU CA . 25227 1 192 . 1 1 35 35 GLU CB C 13 30.226 . . 1 . 794 . . 35 GLU CB . 25227 1 193 . 1 1 36 36 GLY H H 1 8.511 0.003 . 1 . 792 . . 36 GLY H . 25227 1 194 . 1 1 36 36 GLY HA2 H 1 3.919 . . 2 . 642 . . 36 GLY HA2 . 25227 1 195 . 1 1 36 36 GLY HA3 H 1 3.944 . . 2 . 643 . . 36 GLY HA3 . 25227 1 196 . 1 1 36 36 GLY C C 13 174.051 0.011 . 1 . 256 . . 36 GLY C . 25227 1 197 . 1 1 36 36 GLY CA C 13 45.320 . . 1 . 409 . . 36 GLY CA . 25227 1 198 . 1 1 36 36 GLY N N 15 110.100 0.018 . 1 . 793 . . 36 GLY N . 25227 1 199 . 1 1 37 37 VAL H H 1 7.976 0.001 . 1 . 21 . . 37 VAL H . 25227 1 200 . 1 1 37 37 VAL HA H 1 4.043 . . 1 . 718 . . 37 VAL HA . 25227 1 201 . 1 1 37 37 VAL C C 13 175.990 0.001 . 1 . 257 . . 37 VAL C . 25227 1 202 . 1 1 37 37 VAL CA C 13 62.390 0.015 . 1 . 408 . . 37 VAL CA . 25227 1 203 . 1 1 37 37 VAL CB C 13 32.752 0.038 . 1 . 523 . . 37 VAL CB . 25227 1 204 . 1 1 37 37 VAL N N 15 119.704 0.025 . 1 . 22 . . 37 VAL N . 25227 1 205 . 1 1 38 38 LEU H H 1 8.356 0.001 . 1 . 133 . . 38 LEU H . 25227 1 206 . 1 1 38 38 LEU HA H 1 4.323 . . 1 . 681 . . 38 LEU HA . 25227 1 207 . 1 1 38 38 LEU C C 13 176.709 0.006 . 1 . 338 . . 38 LEU C . 25227 1 208 . 1 1 38 38 LEU CA C 13 55.101 0.096 . 1 . 525 . . 38 LEU CA . 25227 1 209 . 1 1 38 38 LEU CB C 13 42.458 0.019 . 1 . 524 . . 38 LEU CB . 25227 1 210 . 1 1 38 38 LEU N N 15 126.007 0.018 . 1 . 134 . . 38 LEU N . 25227 1 211 . 1 1 39 39 TYR H H 1 8.346 0.002 . 1 . 125 . . 39 TYR H . 25227 1 212 . 1 1 39 39 TYR HA H 1 4.558 . . 1 . 695 . . 39 TYR HA . 25227 1 213 . 1 1 39 39 TYR C C 13 175.621 0.001 . 1 . 298 . . 39 TYR C . 25227 1 214 . 1 1 39 39 TYR CA C 13 57.972 0.006 . 1 . 569 . . 39 TYR CA . 25227 1 215 . 1 1 39 39 TYR CB C 13 38.822 0.001 . 1 . 568 . . 39 TYR CB . 25227 1 216 . 1 1 39 39 TYR N N 15 122.661 0.02 . 1 . 126 . . 39 TYR N . 25227 1 217 . 1 1 40 40 VAL H H 1 8.150 0.002 . 1 . 49 . . 40 VAL H . 25227 1 218 . 1 1 40 40 VAL HA H 1 4.037 . . 1 . 621 . . 40 VAL HA . 25227 1 219 . 1 1 40 40 VAL C C 13 176.172 0.002 . 1 . 315 . . 40 VAL C . 25227 1 220 . 1 1 40 40 VAL CA C 13 62.246 0.039 . 1 . 492 . . 40 VAL CA . 25227 1 221 . 1 1 40 40 VAL CB C 13 32.874 0.014 . 1 . 491 . . 40 VAL CB . 25227 1 222 . 1 1 40 40 VAL N N 15 123.600 0.021 . 1 . 50 . . 40 VAL N . 25227 1 223 . 1 1 41 41 GLY H H 1 8.099 0.002 . 1 . 43 . . 41 GLY H . 25227 1 224 . 1 1 41 41 GLY HA2 H 1 3.914 . . 1 . 627 . . 41 GLY HA2 . 25227 1 225 . 1 1 41 41 GLY C C 13 173.983 0.003 . 1 . 238 . . 41 GLY C . 25227 1 226 . 1 1 41 41 GLY CA C 13 45.233 0.021 . 1 . 363 . . 41 GLY CA . 25227 1 227 . 1 1 41 41 GLY N N 15 112.292 0.02 . 1 . 44 . . 41 GLY N . 25227 1 228 . 1 1 42 42 SER H H 1 8.333 0.004 . 1 . 37 . . 42 SER H . 25227 1 229 . 1 1 42 42 SER HA H 1 4.429 . . 1 . 694 . . 42 SER HA . 25227 1 230 . 1 1 42 42 SER C C 13 174.810 . . 1 . 314 . . 42 SER C . 25227 1 231 . 1 1 42 42 SER CA C 13 58.510 . . 1 . 368 . . 42 SER CA . 25227 1 232 . 1 1 42 42 SER CB C 13 63.918 . . 1 . 369 . . 42 SER CB . 25227 1 233 . 1 1 42 42 SER N N 15 115.705 0.03 . 1 . 38 . . 42 SER N . 25227 1 234 . 1 1 43 43 LYS H H 1 8.554 0.004 . 1 . 147 . . 43 LYS H . 25227 1 235 . 1 1 43 43 LYS HA H 1 4.405 . . 1 . 626 . . 43 LYS HA . 25227 1 236 . 1 1 43 43 LYS C C 13 176.925 . . 1 . 243 . . 43 LYS C . 25227 1 237 . 1 1 43 43 LYS CA C 13 56.516 . . 1 . 490 . . 43 LYS CA . 25227 1 238 . 1 1 43 43 LYS CB C 13 33.095 . . 1 . 489 . . 43 LYS CB . 25227 1 239 . 1 1 43 43 LYS N N 15 123.554 0.018 . 1 . 148 . . 43 LYS N . 25227 1 240 . 1 1 44 44 THR H H 1 8.257 0.002 . 1 . 195 . . 44 THR H . 25227 1 241 . 1 1 44 44 THR HA H 1 4.299 . . 1 . 702 . . 44 THR HA . 25227 1 242 . 1 1 44 44 THR C C 13 174.664 0.019 . 1 . 244 . . 44 THR C . 25227 1 243 . 1 1 44 44 THR CA C 13 61.995 0.015 . 1 . 545 . . 44 THR CA . 25227 1 244 . 1 1 44 44 THR CB C 13 70.072 0.08 . 1 . 544 . . 44 THR CB . 25227 1 245 . 1 1 44 44 THR N N 15 115.658 0.024 . 1 . 196 . . 44 THR N . 25227 1 246 . 1 1 45 45 LYS H H 1 8.511 0.002 . 1 . 193 . . 45 LYS H . 25227 1 247 . 1 1 45 45 LYS CA C 13 56.564 . . 1 . 501 . . 45 LYS CA . 25227 1 248 . 1 1 45 45 LYS CB C 13 32.913 . . 1 . 500 . . 45 LYS CB . 25227 1 249 . 1 1 45 45 LYS N N 15 123.945 0.062 . 1 . 194 . . 45 LYS N . 25227 1 250 . 1 1 46 46 GLU HA H 1 4.214 . . 1 . 733 . . 46 GLU HA . 25227 1 251 . 1 1 46 46 GLU C C 13 177.033 . . 1 . 599 . . 46 GLU C . 25227 1 252 . 1 1 47 47 GLY H H 1 8.489 0.001 . 1 . 590 . . 47 GLY H . 25227 1 253 . 1 1 47 47 GLY HA2 H 1 3.922 . . 1 . 645 . . 47 GLY HA2 . 25227 1 254 . 1 1 47 47 GLY C C 13 173.880 0.004 . 1 . 260 . . 47 GLY C . 25227 1 255 . 1 1 47 47 GLY CA C 13 44.741 . . 1 . 418 . . 47 GLY CA . 25227 1 256 . 1 1 47 47 GLY N N 15 110.146 0.006 . 1 . 591 . . 47 GLY N . 25227 1 257 . 1 1 48 48 VAL H H 1 7.979 0.003 . 1 . 59 . . 48 VAL H . 25227 1 258 . 1 1 48 48 VAL HA H 1 4.061 . . 1 . 717 . . 48 VAL HA . 25227 1 259 . 1 1 48 48 VAL C C 13 176.044 0.002 . 1 . 261 . . 48 VAL C . 25227 1 260 . 1 1 48 48 VAL CA C 13 62.339 . . 1 . 419 . . 48 VAL CA . 25227 1 261 . 1 1 48 48 VAL CB C 13 32.854 . . 1 . 417 . . 48 VAL CB . 25227 1 262 . 1 1 48 48 VAL N N 15 120.177 0.116 . 1 . 60 . . 48 VAL N . 25227 1 263 . 1 1 49 49 VAL H H 1 8.380 0.003 . 1 . 203 . . 49 VAL H . 25227 1 264 . 1 1 49 49 VAL HA H 1 4.056 . . 1 . 715 . . 49 VAL HA . 25227 1 265 . 1 1 49 49 VAL C C 13 175.897 0.002 . 1 . 337 . . 49 VAL C . 25227 1 266 . 1 1 49 49 VAL CA C 13 62.240 0.039 . 1 . 522 . . 49 VAL CA . 25227 1 267 . 1 1 49 49 VAL CB C 13 32.802 0.096 . 1 . 521 . . 49 VAL CB . 25227 1 268 . 1 1 49 49 VAL N N 15 125.402 0.028 . 1 . 204 . . 49 VAL N . 25227 1 269 . 1 1 50 50 HIS H H 1 8.555 0.002 . 1 . 199 . . 50 HIS H . 25227 1 270 . 1 1 50 50 HIS HA H 1 4.601 . . 1 . 619 . . 50 HIS HA . 25227 1 271 . 1 1 50 50 HIS C C 13 175.935 0.005 . 1 . 335 . . 50 HIS C . 25227 1 272 . 1 1 50 50 HIS CA C 13 56.459 . . 1 . 361 . . 50 HIS CA . 25227 1 273 . 1 1 50 50 HIS CB C 13 30.379 0.749 . 1 . 360 . . 50 HIS CB . 25227 1 274 . 1 1 50 50 HIS N N 15 125.056 0.026 . 1 . 200 . . 50 HIS N . 25227 1 275 . 1 1 51 51 GLY H H 1 8.489 0.035 . 1 . 173 . . 51 GLY H . 25227 1 276 . 1 1 51 51 GLY HA2 H 1 3.910 . . 2 . 639 . . 51 GLY HA2 . 25227 1 277 . 1 1 51 51 GLY HA3 H 1 3.966 . . 2 . 640 . . 51 GLY HA3 . 25227 1 278 . 1 1 51 51 GLY C C 13 173.834 . . 1 . 236 . . 51 GLY C . 25227 1 279 . 1 1 51 51 GLY CA C 13 45.217 0.058 . 1 . 406 . . 51 GLY CA . 25227 1 280 . 1 1 51 51 GLY N N 15 110.753 0.089 . 1 . 174 . . 51 GLY N . 25227 1 281 . 1 1 52 52 VAL H H 1 8.098 0.004 . 1 . 77 . . 52 VAL H . 25227 1 282 . 1 1 52 52 VAL HA H 1 4.115 . . 1 . 727 . . 52 VAL HA . 25227 1 283 . 1 1 52 52 VAL C C 13 175.996 0.001 . 1 . 254 . . 52 VAL C . 25227 1 284 . 1 1 52 52 VAL CA C 13 62.135 0.011 . 1 . 405 . . 52 VAL CA . 25227 1 285 . 1 1 52 52 VAL CB C 13 32.940 0.0 . 1 . 404 . . 52 VAL CB . 25227 1 286 . 1 1 52 52 VAL N N 15 119.709 0.039 . 1 . 78 . . 52 VAL N . 25227 1 287 . 1 1 53 53 ALA H H 1 8.563 0.001 . 1 . 221 . . 53 ALA H . 25227 1 288 . 1 1 53 53 ALA HA H 1 4.383 . . 1 . 624 . . 53 ALA HA . 25227 1 289 . 1 1 53 53 ALA C C 13 177.901 0.005 . 1 . 347 . . 53 ALA C . 25227 1 290 . 1 1 53 53 ALA CA C 13 52.472 0.01 . 1 . 539 . . 53 ALA CA . 25227 1 291 . 1 1 53 53 ALA CB C 13 19.279 0.005 . 1 . 538 . . 53 ALA CB . 25227 1 292 . 1 1 53 53 ALA N N 15 128.345 0.017 . 1 . 222 . . 53 ALA N . 25227 1 293 . 1 1 54 54 THR H H 1 8.300 0.001 . 1 . 169 . . 54 THR H . 25227 1 294 . 1 1 54 54 THR HA H 1 4.297 . . 1 . 690 . . 54 THR HA . 25227 1 295 . 1 1 54 54 THR C C 13 174.581 0.004 . 1 . 241 . . 54 THR C . 25227 1 296 . 1 1 54 54 THR CA C 13 61.956 . . 1 . 366 . . 54 THR CA . 25227 1 297 . 1 1 54 54 THR CB C 13 70.010 0.0 . 1 . 367 . . 54 THR CB . 25227 1 298 . 1 1 54 54 THR N N 15 115.068 0.016 . 1 . 170 . . 54 THR N . 25227 1 299 . 1 1 55 55 VAL H H 1 8.320 0.001 . 1 . 13 . . 55 VAL H . 25227 1 300 . 1 1 55 55 VAL HA H 1 4.072 . . 1 . 725 . . 55 VAL HA . 25227 1 301 . 1 1 55 55 VAL C C 13 175.920 0.005 . 1 . 310 . . 55 VAL C . 25227 1 302 . 1 1 55 55 VAL CA C 13 62.338 0.013 . 1 . 574 . . 55 VAL CA . 25227 1 303 . 1 1 55 55 VAL CB C 13 32.846 0.01 . 1 . 573 . . 55 VAL CB . 25227 1 304 . 1 1 55 55 VAL N N 15 123.326 0.01 . 1 . 14 . . 55 VAL N . 25227 1 305 . 1 1 56 56 ALA H H 1 8.497 0.002 . 1 . 81 . . 56 ALA H . 25227 1 306 . 1 1 56 56 ALA HA H 1 4.270 . . 1 . 664 . . 56 ALA HA . 25227 1 307 . 1 1 56 56 ALA C C 13 177.848 0.008 . 1 . 345 . . 56 ALA C . 25227 1 308 . 1 1 56 56 ALA CA C 13 52.565 0.022 . 1 . 537 . . 56 ALA CA . 25227 1 309 . 1 1 56 56 ALA CB C 13 19.235 0.006 . 1 . 536 . . 56 ALA CB . 25227 1 310 . 1 1 56 56 ALA N N 15 128.303 0.023 . 1 . 82 . . 56 ALA N . 25227 1 311 . 1 1 57 57 GLU H H 1 8.448 0.001 . 1 . 83 . . 57 GLU H . 25227 1 312 . 1 1 57 57 GLU HA H 1 4.199 . . 1 . 686 . . 57 GLU HA . 25227 1 313 . 1 1 57 57 GLU C C 13 176.766 0.006 . 1 . 281 . . 57 GLU C . 25227 1 314 . 1 1 57 57 GLU CA C 13 56.666 . . 1 . 457 . . 57 GLU CA . 25227 1 315 . 1 1 57 57 GLU CB C 13 30.393 0.034 . 1 . 456 . . 57 GLU CB . 25227 1 316 . 1 1 57 57 GLU N N 15 121.042 0.018 . 1 . 84 . . 57 GLU N . 25227 1 317 . 1 1 58 58 LYS H H 1 8.508 0.001 . 1 . 61 . . 58 LYS H . 25227 1 318 . 1 1 58 58 LYS HA H 1 4.338 . . 1 . 630 . . 58 LYS HA . 25227 1 319 . 1 1 58 58 LYS C C 13 177.033 0.002 . 1 . 560 . . 58 LYS C . 25227 1 320 . 1 1 58 58 LYS CA C 13 56.547 0.033 . 1 . 374 . . 58 LYS CA . 25227 1 321 . 1 1 58 58 LYS CB C 13 32.999 0.016 . 1 . 375 . . 58 LYS CB . 25227 1 322 . 1 1 58 58 LYS N N 15 122.997 0.018 . 1 . 62 . . 58 LYS N . 25227 1 323 . 1 1 59 59 THR H H 1 8.291 0.001 . 1 . 179 . . 59 THR H . 25227 1 324 . 1 1 59 59 THR HA H 1 4.263 . . 1 . 701 . . 59 THR HA . 25227 1 325 . 1 1 59 59 THR C C 13 174.675 0.005 . 1 . 245 . . 59 THR C . 25227 1 326 . 1 1 59 59 THR CA C 13 62.230 0.007 . 1 . 372 . . 59 THR CA . 25227 1 327 . 1 1 59 59 THR CB C 13 69.828 0.005 . 1 . 373 . . 59 THR CB . 25227 1 328 . 1 1 59 59 THR N N 15 116.189 0.023 . 1 . 180 . . 59 THR N . 25227 1 329 . 1 1 60 60 LYS H H 1 8.464 0.001 . 1 . 87 . . 60 LYS H . 25227 1 330 . 1 1 60 60 LYS HA H 1 4.269 . . 1 . 735 . . 60 LYS HA . 25227 1 331 . 1 1 60 60 LYS C C 13 176.753 0.003 . 1 . 320 . . 60 LYS C . 25227 1 332 . 1 1 60 60 LYS CA C 13 56.682 . . 1 . 497 . . 60 LYS CA . 25227 1 333 . 1 1 60 60 LYS CB C 13 32.961 0.011 . 1 . 496 . . 60 LYS CB . 25227 1 334 . 1 1 60 60 LYS N N 15 123.869 0.027 . 1 . 88 . . 60 LYS N . 25227 1 335 . 1 1 61 61 GLU H H 1 8.506 0.003 . 1 . 594 . . 61 GLU H . 25227 1 336 . 1 1 61 61 GLU HA H 1 4.212 . . 1 . 674 . . 61 GLU HA . 25227 1 337 . 1 1 61 61 GLU C C 13 176.491 0.007 . 1 . 301 . . 61 GLU C . 25227 1 338 . 1 1 61 61 GLU CA C 13 56.793 . . 1 . 570 . . 61 GLU CA . 25227 1 339 . 1 1 61 61 GLU CB C 13 30.252 . . 1 . 785 . . 61 GLU CB . 25227 1 340 . 1 1 61 61 GLU N N 15 122.288 0.031 . 1 . 595 . . 61 GLU N . 25227 1 341 . 1 1 62 62 GLN H H 1 8.498 0.005 . 1 . 47 . . 62 GLN H . 25227 1 342 . 1 1 62 62 GLN HA H 1 4.327 . . 1 . 678 . . 62 GLN HA . 25227 1 343 . 1 1 62 62 GLN C C 13 176.013 0.004 . 1 . 302 . . 62 GLN C . 25227 1 344 . 1 1 62 62 GLN CA C 13 55.815 0.02 . 1 . 552 . . 62 GLN CA . 25227 1 345 . 1 1 62 62 GLN CB C 13 29.539 0.021 . 1 . 551 . . 62 GLN CB . 25227 1 346 . 1 1 62 62 GLN N N 15 122.003 0.122 . 1 . 48 . . 62 GLN N . 25227 1 347 . 1 1 63 63 VAL H H 1 8.363 0.002 . 1 . 197 . . 63 VAL H . 25227 1 348 . 1 1 63 63 VAL HA H 1 4.170 . . 1 . 634 . . 63 VAL HA . 25227 1 349 . 1 1 63 63 VAL C C 13 176.413 0.002 . 1 . 296 . . 63 VAL C . 25227 1 350 . 1 1 63 63 VAL CA C 13 62.411 0.058 . 1 . 388 . . 63 VAL CA . 25227 1 351 . 1 1 63 63 VAL CB C 13 32.824 0.002 . 1 . 391 . . 63 VAL CB . 25227 1 352 . 1 1 63 63 VAL N N 15 122.149 0.018 . 1 . 198 . . 63 VAL N . 25227 1 353 . 1 1 64 64 THR H H 1 8.377 0.001 . 1 . 159 . . 64 THR H . 25227 1 354 . 1 1 64 64 THR HA H 1 4.349 . . 1 . 675 . . 64 THR HA . 25227 1 355 . 1 1 64 64 THR C C 13 174.102 0.01 . 1 . 548 . . 64 THR C . 25227 1 356 . 1 1 64 64 THR CA C 13 61.879 . . 1 . 389 . . 64 THR CA . 25227 1 357 . 1 1 64 64 THR CB C 13 69.952 . . 1 . 390 . . 64 THR CB . 25227 1 358 . 1 1 64 64 THR N N 15 118.328 0.029 . 1 . 160 . . 64 THR N . 25227 1 359 . 1 1 65 65 ASN H H 1 8.592 0.003 . 1 . 97 . . 65 ASN H . 25227 1 360 . 1 1 65 65 ASN HA H 1 4.756 . . 1 . 662 . . 65 ASN HA . 25227 1 361 . 1 1 65 65 ASN C C 13 175.306 . . 1 . 278 . . 65 ASN C . 25227 1 362 . 1 1 65 65 ASN CA C 13 53.162 0.026 . 1 . 452 . . 65 ASN CA . 25227 1 363 . 1 1 65 65 ASN CB C 13 38.925 0.004 . 1 . 451 . . 65 ASN CB . 25227 1 364 . 1 1 65 65 ASN N N 15 121.959 0.026 . 1 . 98 . . 65 ASN N . 25227 1 365 . 1 1 66 66 VAL H H 1 8.315 0.001 . 1 . 219 . . 66 VAL H . 25227 1 366 . 1 1 66 66 VAL HA H 1 4.101 . . 1 . 622 . . 66 VAL HA . 25227 1 367 . 1 1 66 66 VAL C C 13 176.933 0.002 . 1 . 279 . . 66 VAL C . 25227 1 368 . 1 1 66 66 VAL CA C 13 62.721 0.01 . 1 . 453 . . 66 VAL CA . 25227 1 369 . 1 1 66 66 VAL CB C 13 32.488 0.024 . 1 . 450 . . 66 VAL CB . 25227 1 370 . 1 1 66 66 VAL N N 15 120.885 0.025 . 1 . 220 . . 66 VAL N . 25227 1 371 . 1 1 67 67 GLY H H 1 8.628 0.001 . 1 . 51 . . 67 GLY H . 25227 1 372 . 1 1 67 67 GLY HA2 H 1 3.938 . . 2 . 612 . . 67 GLY HA2 . 25227 1 373 . 1 1 67 67 GLY HA3 H 1 3.967 . . 2 . 613 . . 67 GLY HA3 . 25227 1 374 . 1 1 67 67 GLY C C 13 174.699 0.01 . 1 . 239 . . 67 GLY C . 25227 1 375 . 1 1 67 67 GLY CA C 13 45.371 . . 1 . 364 . . 67 GLY CA . 25227 1 376 . 1 1 67 67 GLY N N 15 112.773 0.029 . 1 . 52 . . 67 GLY N . 25227 1 377 . 1 1 68 68 GLY H H 1 8.296 0.002 . 1 . 45 . . 68 GLY H . 25227 1 378 . 1 1 68 68 GLY HA2 H 1 3.929 . . 1 . 699 . . 68 GLY HA2 . 25227 1 379 . 1 1 68 68 GLY C C 13 173.760 0.015 . 1 . 230 . . 68 GLY C . 25227 1 380 . 1 1 68 68 GLY CA C 13 45.075 0.026 . 1 . 352 . . 68 GLY CA . 25227 1 381 . 1 1 68 68 GLY N N 15 108.926 0.027 . 1 . 46 . . 68 GLY N . 25227 1 382 . 1 1 69 69 ALA H H 1 8.232 0.001 . 1 . 103 . . 69 ALA H . 25227 1 383 . 1 1 69 69 ALA HA H 1 4.329 . . 1 . 657 . . 69 ALA HA . 25227 1 384 . 1 1 69 69 ALA C C 13 177.724 0.004 . 1 . 318 . . 69 ALA C . 25227 1 385 . 1 1 69 69 ALA CA C 13 52.342 0.003 . 1 . 495 . . 69 ALA CA . 25227 1 386 . 1 1 69 69 ALA CB C 13 19.336 0.017 . 1 . 494 . . 69 ALA CB . 25227 1 387 . 1 1 69 69 ALA N N 15 123.833 0.032 . 1 . 104 . . 69 ALA N . 25227 1 388 . 1 1 70 70 VAL H H 1 8.293 0.001 . 1 . 63 . . 70 VAL H . 25227 1 389 . 1 1 70 70 VAL HA H 1 4.073 . . 1 . 716 . . 70 VAL HA . 25227 1 390 . 1 1 70 70 VAL C C 13 176.401 0.002 . 1 . 275 . . 70 VAL C . 25227 1 391 . 1 1 70 70 VAL CA C 13 62.469 . . 1 . 447 . . 70 VAL CA . 25227 1 392 . 1 1 70 70 VAL CB C 13 32.727 0.009 . 1 . 446 . . 70 VAL CB . 25227 1 393 . 1 1 70 70 VAL N N 15 120.680 0.027 . 1 . 64 . . 70 VAL N . 25227 1 394 . 1 1 71 71 VAL H H 1 8.473 0.0 . 1 . 23 . . 71 VAL H . 25227 1 395 . 1 1 71 71 VAL HA H 1 4.201 . . 1 . 635 . . 71 VAL HA . 25227 1 396 . 1 1 71 71 VAL C C 13 176.344 0.006 . 1 . 336 . . 71 VAL C . 25227 1 397 . 1 1 71 71 VAL CA C 13 62.233 . . 1 . 580 . . 71 VAL CA . 25227 1 398 . 1 1 71 71 VAL CB C 13 32.817 . . 1 . 393 . . 71 VAL CB . 25227 1 399 . 1 1 71 71 VAL N N 15 125.685 0.017 . 1 . 24 . . 71 VAL N . 25227 1 400 . 1 1 72 72 THR H H 1 8.386 0.003 . 1 . 165 . . 72 THR H . 25227 1 401 . 1 1 72 72 THR HA H 1 4.346 . . 1 . 620 . . 72 THR HA . 25227 1 402 . 1 1 72 72 THR C C 13 174.955 0.005 . 1 . 249 . . 72 THR C . 25227 1 403 . 1 1 72 72 THR CA C 13 61.983 0.013 . 1 . 392 . . 72 THR CA . 25227 1 404 . 1 1 72 72 THR CB C 13 69.950 0.043 . 1 . 394 . . 72 THR CB . 25227 1 405 . 1 1 72 72 THR N N 15 118.930 0.065 . 1 . 166 . . 72 THR N . 25227 1 406 . 1 1 73 73 GLY H H 1 8.508 0.001 . 1 . 223 . . 73 GLY H . 25227 1 407 . 1 1 73 73 GLY HA2 H 1 3.973 . . 1 . 641 . . 73 GLY HA2 . 25227 1 408 . 1 1 73 73 GLY C C 13 174.055 0.016 . 1 . 237 . . 73 GLY C . 25227 1 409 . 1 1 73 73 GLY CA C 13 45.274 0.003 . 1 . 362 . . 73 GLY CA . 25227 1 410 . 1 1 73 73 GLY N N 15 111.486 0.023 . 1 . 224 . . 73 GLY N . 25227 1 411 . 1 1 74 74 VAL H H 1 8.155 0.001 . 1 . 129 . . 74 VAL H . 25227 1 412 . 1 1 74 74 VAL HA H 1 4.167 . . 1 . 636 . . 74 VAL HA . 25227 1 413 . 1 1 74 74 VAL C C 13 176.624 0.003 . 1 . 255 . . 74 VAL C . 25227 1 414 . 1 1 74 74 VAL CA C 13 62.391 . . 1 . 407 . . 74 VAL CA . 25227 1 415 . 1 1 74 74 VAL CB C 13 32.880 . . 1 . 395 . . 74 VAL CB . 25227 1 416 . 1 1 74 74 VAL N N 15 119.666 0.015 . 1 . 130 . . 74 VAL N . 25227 1 417 . 1 1 75 75 THR H H 1 8.377 0.001 . 1 . 145 . . 75 THR H . 25227 1 418 . 1 1 75 75 THR HA H 1 4.293 . . 1 . 723 . . 75 THR HA . 25227 1 419 . 1 1 75 75 THR C C 13 174.129 0.008 . 1 . 253 . . 75 THR C . 25227 1 420 . 1 1 75 75 THR CA C 13 62.063 0.045 . 1 . 396 . . 75 THR CA . 25227 1 421 . 1 1 75 75 THR CB C 13 69.803 0.026 . 1 . 397 . . 75 THR CB . 25227 1 422 . 1 1 75 75 THR N N 15 119.226 0.047 . 1 . 146 . . 75 THR N . 25227 1 423 . 1 1 76 76 ALA H H 1 8.448 0.0 . 1 . 185 . . 76 ALA H . 25227 1 424 . 1 1 76 76 ALA HA H 1 4.324 . . 1 . 649 . . 76 ALA HA . 25227 1 425 . 1 1 76 76 ALA C C 13 177.620 0.006 . 1 . 343 . . 76 ALA C . 25227 1 426 . 1 1 76 76 ALA CA C 13 52.446 0.007 . 1 . 533 . . 76 ALA CA . 25227 1 427 . 1 1 76 76 ALA CB C 13 19.285 0.002 . 1 . 532 . . 76 ALA CB . 25227 1 428 . 1 1 76 76 ALA N N 15 127.627 0.072 . 1 . 186 . . 76 ALA N . 25227 1 429 . 1 1 77 77 VAL H H 1 8.226 0.001 . 1 . 149 . . 77 VAL H . 25227 1 430 . 1 1 77 77 VAL HA H 1 4.026 . . 1 . 726 . . 77 VAL HA . 25227 1 431 . 1 1 77 77 VAL C C 13 176.073 0.006 . 1 . 265 . . 77 VAL C . 25227 1 432 . 1 1 77 77 VAL CA C 13 62.261 0.005 . 1 . 555 . . 77 VAL CA . 25227 1 433 . 1 1 77 77 VAL CB C 13 32.848 0.002 . 1 . 556 . . 77 VAL CB . 25227 1 434 . 1 1 77 77 VAL N N 15 120.311 0.019 . 1 . 150 . . 77 VAL N . 25227 1 435 . 1 1 78 78 ALA H H 1 8.484 0.002 . 1 . 7 . . 78 ALA H . 25227 1 436 . 1 1 78 78 ALA HA H 1 4.276 . . 1 . 654 . . 78 ALA HA . 25227 1 437 . 1 1 78 78 ALA C C 13 177.695 0.005 . 1 . 346 . . 78 ALA C . 25227 1 438 . 1 1 78 78 ALA CA C 13 52.640 0.073 . 1 . 542 . . 78 ALA CA . 25227 1 439 . 1 1 78 78 ALA CB C 13 19.118 0.058 . 1 . 441 . . 78 ALA CB . 25227 1 440 . 1 1 78 78 ALA N N 15 128.363 0.016 . 1 . 8 . . 78 ALA N . 25227 1 441 . 1 1 79 79 GLN H H 1 8.470 0.002 . 1 . 105 . . 79 GLN H . 25227 1 442 . 1 1 79 79 GLN HA H 1 4.267 . . 1 . 691 . . 79 GLN HA . 25227 1 443 . 1 1 79 79 GLN C C 13 175.998 0.003 . 1 . 272 . . 79 GLN C . 25227 1 444 . 1 1 79 79 GLN CA C 13 55.766 0.038 . 1 . 439 . . 79 GLN CA . 25227 1 445 . 1 1 79 79 GLN CB C 13 29.654 0.01 . 1 . 440 . . 79 GLN CB . 25227 1 446 . 1 1 79 79 GLN N N 15 120.507 0.031 . 1 . 106 . . 79 GLN N . 25227 1 447 . 1 1 80 80 LYS H H 1 8.510 0.001 . 1 . 91 . . 80 LYS H . 25227 1 448 . 1 1 80 80 LYS HA H 1 4.352 . . 1 . 633 . . 80 LYS HA . 25227 1 449 . 1 1 80 80 LYS C C 13 176.748 0.002 . 1 . 311 . . 80 LYS C . 25227 1 450 . 1 1 80 80 LYS CA C 13 56.454 0.088 . 1 . 384 . . 80 LYS CA . 25227 1 451 . 1 1 80 80 LYS CB C 13 33.189 0.066 . 1 . 385 . . 80 LYS CB . 25227 1 452 . 1 1 80 80 LYS N N 15 123.480 0.052 . 1 . 92 . . 80 LYS N . 25227 1 453 . 1 1 81 81 THR H H 1 8.368 0.001 . 1 . 107 . . 81 THR H . 25227 1 454 . 1 1 81 81 THR HA H 1 4.328 . . 1 . 688 . . 81 THR HA . 25227 1 455 . 1 1 81 81 THR C C 13 174.487 0.007 . 1 . 248 . . 81 THR C . 25227 1 456 . 1 1 81 81 THR CA C 13 61.972 . . 1 . 382 . . 81 THR CA . 25227 1 457 . 1 1 81 81 THR CB C 13 69.959 0.008 . 1 . 383 . . 81 THR CB . 25227 1 458 . 1 1 81 81 THR N N 15 117.143 0.025 . 1 . 108 . . 81 THR N . 25227 1 459 . 1 1 82 82 VAL H H 1 8.383 0.001 . 1 . 139 . . 82 VAL H . 25227 1 460 . 1 1 82 82 VAL HA H 1 4.100 . . 1 . 713 . . 82 VAL HA . 25227 1 461 . 1 1 82 82 VAL C C 13 176.204 0.006 . 1 . 308 . . 82 VAL C . 25227 1 462 . 1 1 82 82 VAL CA C 13 62.319 0.057 . 1 . 572 . . 82 VAL CA . 25227 1 463 . 1 1 82 82 VAL CB C 13 32.833 0.005 . 1 . 571 . . 82 VAL CB . 25227 1 464 . 1 1 82 82 VAL N N 15 123.274 0.008 . 1 . 140 . . 82 VAL N . 25227 1 465 . 1 1 83 83 GLU H H 1 8.647 0.001 . 1 . 177 . . 83 GLU H . 25227 1 466 . 1 1 83 83 GLU HA H 1 4.252 . . 1 . 618 . . 83 GLU HA . 25227 1 467 . 1 1 83 83 GLU C C 13 177.083 0.001 . 1 . 333 . . 83 GLU C . 25227 1 468 . 1 1 83 83 GLU CA C 13 56.870 0.014 . 1 . 518 . . 83 GLU CA . 25227 1 469 . 1 1 83 83 GLU CB C 13 30.261 0.003 . 1 . 517 . . 83 GLU CB . 25227 1 470 . 1 1 83 83 GLU N N 15 125.511 0.02 . 1 . 178 . . 83 GLU N . 25227 1 471 . 1 1 84 84 GLY H H 1 8.591 0.001 . 1 . 115 . . 84 GLY H . 25227 1 472 . 1 1 84 84 GLY HA2 H 1 3.926 . . 2 . 703 . . 84 GLY HA2 . 25227 1 473 . 1 1 84 84 GLY HA3 H 1 3.950 . . 2 . 704 . . 84 GLY HA3 . 25227 1 474 . 1 1 84 84 GLY C C 13 174.204 0.01 . 1 . 235 . . 84 GLY C . 25227 1 475 . 1 1 84 84 GLY CA C 13 45.302 0.01 . 1 . 357 . . 84 GLY CA . 25227 1 476 . 1 1 84 84 GLY N N 15 110.857 0.023 . 1 . 116 . . 84 GLY N . 25227 1 477 . 1 1 85 85 ALA H H 1 8.330 0.001 . 1 . 119 . . 85 ALA H . 25227 1 478 . 1 1 85 85 ALA HA H 1 4.294 . . 1 . 611 . . 85 ALA HA . 25227 1 479 . 1 1 85 85 ALA C C 13 178.559 0.006 . 1 . 323 . . 85 ALA C . 25227 1 480 . 1 1 85 85 ALA CA C 13 52.909 0.025 . 1 . 503 . . 85 ALA CA . 25227 1 481 . 1 1 85 85 ALA CB C 13 19.183 0.014 . 1 . 502 . . 85 ALA CB . 25227 1 482 . 1 1 85 85 ALA N N 15 124.031 0.023 . 1 . 120 . . 85 ALA N . 25227 1 483 . 1 1 86 86 GLY H H 1 8.567 0.001 . 1 . 39 . . 86 GLY H . 25227 1 484 . 1 1 86 86 GLY HA2 H 1 3.949 . . 1 . 629 . . 86 GLY HA2 . 25227 1 485 . 1 1 86 86 GLY C C 13 174.352 0.005 . 1 . 229 . . 86 GLY C . 25227 1 486 . 1 1 86 86 GLY CA C 13 45.315 0.003 . 1 . 353 . . 86 GLY CA . 25227 1 487 . 1 1 86 86 GLY N N 15 108.289 0.022 . 1 . 40 . . 86 GLY N . 25227 1 488 . 1 1 87 87 SER H H 1 8.215 0.002 . 1 . 75 . . 87 SER H . 25227 1 489 . 1 1 87 87 SER HA H 1 4.447 . . 1 . 684 . . 87 SER HA . 25227 1 490 . 1 1 87 87 SER C C 13 174.758 . . 1 . 304 . . 87 SER C . 25227 1 491 . 1 1 87 87 SER CA C 13 58.457 0.0 . 1 . 386 . . 87 SER CA . 25227 1 492 . 1 1 87 87 SER CB C 13 63.882 0.003 . 1 . 387 . . 87 SER CB . 25227 1 493 . 1 1 87 87 SER N N 15 115.803 0.017 . 1 . 76 . . 87 SER N . 25227 1 494 . 1 1 88 88 ILE H H 1 8.265 0.001 . 1 . 161 . . 88 ILE H . 25227 1 495 . 1 1 88 88 ILE HA H 1 4.147 . . 1 . 724 . . 88 ILE HA . 25227 1 496 . 1 1 88 88 ILE C C 13 176.341 0.009 . 1 . 305 . . 88 ILE C . 25227 1 497 . 1 1 88 88 ILE CA C 13 61.364 0.033 . 1 . 480 . . 88 ILE CA . 25227 1 498 . 1 1 88 88 ILE CB C 13 38.627 0.05 . 1 . 479 . . 88 ILE CB . 25227 1 499 . 1 1 88 88 ILE N N 15 122.923 0.013 . 1 . 162 . . 88 ILE N . 25227 1 500 . 1 1 89 89 ALA H H 1 8.423 0.001 . 1 . 93 . . 89 ALA H . 25227 1 501 . 1 1 89 89 ALA HA H 1 4.230 . . 1 . 692 . . 89 ALA HA . 25227 1 502 . 1 1 89 89 ALA C C 13 177.624 0.002 . 1 . 344 . . 89 ALA C . 25227 1 503 . 1 1 89 89 ALA CA C 13 52.634 . . 1 . 535 . . 89 ALA CA . 25227 1 504 . 1 1 89 89 ALA CB C 13 19.052 . . 1 . 534 . . 89 ALA CB . 25227 1 505 . 1 1 89 89 ALA N N 15 128.232 0.016 . 1 . 94 . . 89 ALA N . 25227 1 506 . 1 1 90 90 ALA H H 1 8.286 0.001 . 1 . 71 . . 90 ALA H . 25227 1 507 . 1 1 90 90 ALA HA H 1 4.231 . . 1 . 693 . . 90 ALA HA . 25227 1 508 . 1 1 90 90 ALA C C 13 177.790 0.008 . 1 . 312 . . 90 ALA C . 25227 1 509 . 1 1 90 90 ALA CA C 13 52.496 0.01 . 1 . 576 . . 90 ALA CA . 25227 1 510 . 1 1 90 90 ALA CB C 13 19.143 . . 1 . 575 . . 90 ALA CB . 25227 1 511 . 1 1 90 90 ALA N N 15 123.484 0.02 . 1 . 72 . . 90 ALA N . 25227 1 512 . 1 1 91 91 ALA H H 1 8.365 0.002 . 1 . 65 . . 91 ALA H . 25227 1 513 . 1 1 91 91 ALA HA H 1 4.334 . . 1 . 623 . . 91 ALA HA . 25227 1 514 . 1 1 91 91 ALA C C 13 178.198 0.0 . 1 . 313 . . 91 ALA C . 25227 1 515 . 1 1 91 91 ALA CA C 13 52.703 0.093 . 1 . 487 . . 91 ALA CA . 25227 1 516 . 1 1 91 91 ALA CB C 13 19.088 0.023 . 1 . 488 . . 91 ALA CB . 25227 1 517 . 1 1 91 91 ALA N N 15 123.594 0.027 . 1 . 66 . . 91 ALA N . 25227 1 518 . 1 1 92 92 THR H H 1 8.172 0.001 . 1 . 17 . . 92 THR H . 25227 1 519 . 1 1 92 92 THR HA H 1 4.282 . . 1 . 617 . . 92 THR HA . 25227 1 520 . 1 1 92 92 THR C C 13 175.203 0.004 . 1 . 240 . . 92 THR C . 25227 1 521 . 1 1 92 92 THR CA C 13 62.200 0.075 . 1 . 365 . . 92 THR CA . 25227 1 522 . 1 1 92 92 THR CB C 13 69.904 0.004 . 1 . 543 . . 92 THR CB . 25227 1 523 . 1 1 92 92 THR N N 15 112.825 0.013 . 1 . 18 . . 92 THR N . 25227 1 524 . 1 1 93 93 GLY H H 1 8.376 0.001 . 1 . 67 . . 93 GLY H . 25227 1 525 . 1 1 93 93 GLY HA2 H 1 3.892 . . 1 . 653 . . 93 GLY HA2 . 25227 1 526 . 1 1 93 93 GLY C C 13 173.653 . . 1 . 234 . . 93 GLY C . 25227 1 527 . 1 1 93 93 GLY CA C 13 45.209 0.033 . 1 . 356 . . 93 GLY CA . 25227 1 528 . 1 1 93 93 GLY N N 15 110.830 0.038 . 1 . 68 . . 93 GLY N . 25227 1 529 . 1 1 94 94 PHE H H 1 8.153 0.001 . 1 . 79 . . 94 PHE H . 25227 1 530 . 1 1 94 94 PHE HA H 1 4.590 . . 1 . 706 . . 94 PHE HA . 25227 1 531 . 1 1 94 94 PHE C C 13 175.529 0.005 . 1 . 271 . . 94 PHE C . 25227 1 532 . 1 1 94 94 PHE CA C 13 57.879 0.017 . 1 . 438 . . 94 PHE CA . 25227 1 533 . 1 1 94 94 PHE CB C 13 39.710 0.012 . 1 . 437 . . 94 PHE CB . 25227 1 534 . 1 1 94 94 PHE N N 15 120.449 0.028 . 1 . 80 . . 94 PHE N . 25227 1 535 . 1 1 95 95 VAL H H 1 8.123 0.001 . 1 . 15 . . 95 VAL H . 25227 1 536 . 1 1 95 95 VAL HA H 1 3.986 . . 1 . 720 . . 95 VAL HA . 25227 1 537 . 1 1 95 95 VAL C C 13 175.436 0.004 . 1 . 325 . . 95 VAL C . 25227 1 538 . 1 1 95 95 VAL CA C 13 62.042 0.001 . 1 . 507 . . 95 VAL CA . 25227 1 539 . 1 1 95 95 VAL CB C 13 33.100 0.013 . 1 . 506 . . 95 VAL CB . 25227 1 540 . 1 1 95 95 VAL N N 15 124.048 0.014 . 1 . 16 . . 95 VAL N . 25227 1 541 . 1 1 96 96 LYS H H 1 8.467 0.001 . 1 . 35 . . 96 LYS H . 25227 1 542 . 1 1 96 96 LYS HA H 1 4.199 . . 1 . 700 . . 96 LYS HA . 25227 1 543 . 1 1 96 96 LYS C C 13 176.532 0.008 . 1 . 340 . . 96 LYS C . 25227 1 544 . 1 1 96 96 LYS CA C 13 56.466 . . 1 . 528 . . 96 LYS CA . 25227 1 545 . 1 1 96 96 LYS N N 15 126.612 0.019 . 1 . 36 . . 96 LYS N . 25227 1 546 . 1 1 97 97 LYS H H 1 8.545 0.001 . 1 . 141 . . 97 LYS H . 25227 1 547 . 1 1 97 97 LYS HA H 1 4.269 . . 1 . 666 . . 97 LYS HA . 25227 1 548 . 1 1 97 97 LYS C C 13 176.421 0.001 . 1 . 319 . . 97 LYS C . 25227 1 549 . 1 1 97 97 LYS CA C 13 56.573 0.018 . 1 . 465 . . 97 LYS CA . 25227 1 550 . 1 1 97 97 LYS CB C 13 33.215 0.086 . 1 . 462 . . 97 LYS CB . 25227 1 551 . 1 1 97 97 LYS N N 15 123.922 0.037 . 1 . 142 . . 97 LYS N . 25227 1 552 . 1 1 98 98 ASP H H 1 8.473 0.001 . 1 . 137 . . 98 ASP H . 25227 1 553 . 1 1 98 98 ASP HA H 1 4.542 . . 1 . 651 . . 98 ASP HA . 25227 1 554 . 1 1 98 98 ASP C C 13 176.257 0.002 . 1 . 284 . . 98 ASP C . 25227 1 555 . 1 1 98 98 ASP CA C 13 54.490 0.011 . 1 . 464 . . 98 ASP CA . 25227 1 556 . 1 1 98 98 ASP CB C 13 41.072 0.008 . 1 . 463 . . 98 ASP CB . 25227 1 557 . 1 1 98 98 ASP N N 15 121.365 0.019 . 1 . 138 . . 98 ASP N . 25227 1 558 . 1 1 99 99 GLN H H 1 8.414 0.001 . 1 . 3 . . 99 GLN H . 25227 1 559 . 1 1 99 99 GLN HA H 1 4.297 . . 1 . 685 . . 99 GLN HA . 25227 1 560 . 1 1 99 99 GLN C C 13 176.081 0.006 . 1 . 268 . . 99 GLN C . 25227 1 561 . 1 1 99 99 GLN CA C 13 55.838 . . 1 . 432 . . 99 GLN CA . 25227 1 562 . 1 1 99 99 GLN CB C 13 29.407 0.016 . 1 . 433 . . 99 GLN CB . 25227 1 563 . 1 1 99 99 GLN N N 15 120.323 0.025 . 1 . 4 . . 99 GLN N . 25227 1 564 . 1 1 100 100 LEU H H 1 8.370 0.001 . 1 . 167 . . 100 LEU H . 25227 1 565 . 1 1 100 100 LEU HA H 1 4.316 . . 1 . 614 . . 100 LEU HA . 25227 1 566 . 1 1 100 100 LEU C C 13 178.059 0.001 . 1 . 306 . . 100 LEU C . 25227 1 567 . 1 1 100 100 LEU CA C 13 55.432 0.038 . 1 . 567 . . 100 LEU CA . 25227 1 568 . 1 1 100 100 LEU CB C 13 42.234 0.004 . 1 . 355 . . 100 LEU CB . 25227 1 569 . 1 1 100 100 LEU N N 15 122.980 0.017 . 1 . 168 . . 100 LEU N . 25227 1 570 . 1 1 101 101 GLY H H 1 8.551 0.001 . 1 . 95 . . 101 GLY H . 25227 1 571 . 1 1 101 101 GLY HA2 H 1 3.899 . . 2 . 660 . . 101 GLY HA2 . 25227 1 572 . 1 1 101 101 GLY HA3 H 1 3.938 . . 2 . 661 . . 101 GLY HA3 . 25227 1 573 . 1 1 101 101 GLY C C 13 174.126 0.005 . 1 . 231 . . 101 GLY C . 25227 1 574 . 1 1 101 101 GLY CA C 13 45.325 0.003 . 1 . 354 . . 101 GLY CA . 25227 1 575 . 1 1 101 101 GLY N N 15 109.916 0.033 . 1 . 96 . . 101 GLY N . 25227 1 576 . 1 1 102 102 LYS H H 1 8.277 0.001 . 1 . 213 . . 102 LYS H . 25227 1 577 . 1 1 102 102 LYS HA H 1 4.309 . . 1 . 644 . . 102 LYS HA . 25227 1 578 . 1 1 102 102 LYS C C 13 176.518 0.004 . 1 . 276 . . 102 LYS C . 25227 1 579 . 1 1 102 102 LYS CA C 13 56.329 0.013 . 1 . 415 . . 102 LYS CA . 25227 1 580 . 1 1 102 102 LYS CB C 13 33.148 0.019 . 1 . 416 . . 102 LYS CB . 25227 1 581 . 1 1 102 102 LYS N N 15 120.867 0.011 . 1 . 214 . . 102 LYS N . 25227 1 582 . 1 1 103 103 ASN H H 1 8.691 0.002 . 1 . 181 . . 103 ASN H . 25227 1 583 . 1 1 103 103 ASN HA H 1 4.679 . . 1 . 668 . . 103 ASN HA . 25227 1 584 . 1 1 103 103 ASN C C 13 175.350 0.004 . 1 . 259 . . 103 ASN C . 25227 1 585 . 1 1 103 103 ASN CA C 13 53.355 . . 1 . 414 . . 103 ASN CA . 25227 1 586 . 1 1 103 103 ASN CB C 13 38.764 . . 1 . 413 . . 103 ASN CB . 25227 1 587 . 1 1 103 103 ASN N N 15 120.101 0.029 . 1 . 182 . . 103 ASN N . 25227 1 588 . 1 1 104 104 GLU H H 1 8.544 0.001 . 1 . 69 . . 104 GLU H . 25227 1 589 . 1 1 104 104 GLU HA H 1 4.270 . . 1 . 803 . . 104 GLU HA . 25227 1 590 . 1 1 104 104 GLU C C 13 176.629 . . 1 . 748 . . 104 GLU C . 25227 1 591 . 1 1 104 104 GLU CA C 13 56.721 . . 1 . 471 . . 104 GLU CA . 25227 1 592 . 1 1 104 104 GLU CB C 13 30.253 . . 1 . 470 . . 104 GLU CB . 25227 1 593 . 1 1 104 104 GLU N N 15 121.510 0.016 . 1 . 70 . . 104 GLU N . 25227 1 594 . 1 1 105 105 GLU H H 1 8.536 0.001 . 1 . 801 . . 105 GLU H . 25227 1 595 . 1 1 105 105 GLU HA H 1 4.236 . . 1 . 731 . . 105 GLU HA . 25227 1 596 . 1 1 105 105 GLU C C 13 177.090 . . 1 . 596 . . 105 GLU C . 25227 1 597 . 1 1 105 105 GLU CA C 13 56.954 . . 1 . 787 . . 105 GLU CA . 25227 1 598 . 1 1 105 105 GLU CB C 13 30.215 . . 1 . 789 . . 105 GLU CB . 25227 1 599 . 1 1 105 105 GLU N N 15 122.024 0.017 . 1 . 802 . . 105 GLU N . 25227 1 600 . 1 1 106 106 GLY H H 1 8.502 0.002 . 1 . 589 . . 106 GLY H . 25227 1 601 . 1 1 106 106 GLY HA2 H 1 3.910 . . 1 . 710 . . 106 GLY HA2 . 25227 1 602 . 1 1 106 106 GLY C C 13 173.465 0.004 . 1 . 329 . . 106 GLY C . 25227 1 603 . 1 1 106 106 GLY CA C 13 45.033 0.004 . 1 . 515 . . 106 GLY CA . 25227 1 604 . 1 1 106 106 GLY N N 15 110.319 0.051 . 1 . 588 . . 106 GLY N . 25227 1 605 . 1 1 107 107 ALA H H 1 8.193 0.001 . 1 . 121 . . 107 ALA H . 25227 1 606 . 1 1 107 107 ALA C C 13 175.622 . . 1 . 330 . . 107 ALA C . 25227 1 607 . 1 1 107 107 ALA CA C 13 50.537 . . 1 . 516 . . 107 ALA CA . 25227 1 608 . 1 1 107 107 ALA CB C 13 18.124 . . 1 . 514 . . 107 ALA CB . 25227 1 609 . 1 1 107 107 ALA N N 15 125.042 0.016 . 1 . 122 . . 107 ALA N . 25227 1 610 . 1 1 108 108 PRO HA H 1 4.412 . . 1 . 667 . . 108 PRO HA . 25227 1 611 . 1 1 108 108 PRO C C 13 177.091 . . 1 . 285 . . 108 PRO C . 25227 1 612 . 1 1 108 108 PRO CA C 13 63.103 . . 1 . 467 . . 108 PRO CA . 25227 1 613 . 1 1 108 108 PRO CB C 13 32.039 . . 1 . 469 . . 108 PRO CB . 25227 1 614 . 1 1 109 109 GLN H H 1 8.667 0.001 . 1 . 189 . . 109 GLN H . 25227 1 615 . 1 1 109 109 GLN HA H 1 4.284 . . 1 . 682 . . 109 GLN HA . 25227 1 616 . 1 1 109 109 GLN C C 13 176.033 0.003 . 1 . 286 . . 109 GLN C . 25227 1 617 . 1 1 109 109 GLN CA C 13 55.718 0.006 . 1 . 466 . . 109 GLN CA . 25227 1 618 . 1 1 109 109 GLN CB C 13 29.643 0.018 . 1 . 468 . . 109 GLN CB . 25227 1 619 . 1 1 109 109 GLN N N 15 121.357 0.013 . 1 . 190 . . 109 GLN N . 25227 1 620 . 1 1 110 110 GLU H H 1 8.602 0.001 . 1 . 201 . . 110 GLU H . 25227 1 621 . 1 1 110 110 GLU HA H 1 4.279 . . 1 . 615 . . 110 GLU HA . 25227 1 622 . 1 1 110 110 GLU C C 13 176.901 0.001 . 1 . 299 . . 110 GLU C . 25227 1 623 . 1 1 110 110 GLU CA C 13 56.715 0.017 . 1 . 564 . . 110 GLU CA . 25227 1 624 . 1 1 110 110 GLU CB C 13 30.502 0.024 . 1 . 563 . . 110 GLU CB . 25227 1 625 . 1 1 110 110 GLU N N 15 122.735 0.015 . 1 . 202 . . 110 GLU N . 25227 1 626 . 1 1 111 111 GLY H H 1 8.556 0.001 . 1 . 187 . . 111 GLY H . 25227 1 627 . 1 1 111 111 GLY HA2 H 1 3.922 . . 1 . 648 . . 111 GLY HA2 . 25227 1 628 . 1 1 111 111 GLY C C 13 173.807 0.017 . 1 . 232 . . 111 GLY C . 25227 1 629 . 1 1 111 111 GLY CA C 13 45.279 0.013 . 1 . 427 . . 111 GLY CA . 25227 1 630 . 1 1 111 111 GLY N N 15 110.419 0.028 . 1 . 188 . . 111 GLY N . 25227 1 631 . 1 1 112 112 ILE H H 1 8.073 0.001 . 1 . 215 . . 112 ILE H . 25227 1 632 . 1 1 112 112 ILE HA H 1 4.150 . . 1 . 721 . . 112 ILE HA . 25227 1 633 . 1 1 112 112 ILE C C 13 176.324 0.0 . 1 . 264 . . 112 ILE C . 25227 1 634 . 1 1 112 112 ILE CA C 13 60.977 0.009 . 1 . 426 . . 112 ILE CA . 25227 1 635 . 1 1 112 112 ILE CB C 13 38.647 0.018 . 1 . 428 . . 112 ILE CB . 25227 1 636 . 1 1 112 112 ILE N N 15 120.299 0.02 . 1 . 216 . . 112 ILE N . 25227 1 637 . 1 1 113 113 LEU H H 1 8.486 0.001 . 1 . 89 . . 113 LEU H . 25227 1 638 . 1 1 113 113 LEU HA H 1 4.375 . . 1 . 679 . . 113 LEU HA . 25227 1 639 . 1 1 113 113 LEU C C 13 177.206 0.001 . 1 . 341 . . 113 LEU C . 25227 1 640 . 1 1 113 113 LEU CA C 13 55.036 0.03 . 1 . 530 . . 113 LEU CA . 25227 1 641 . 1 1 113 113 LEU CB C 13 42.393 0.024 . 1 . 529 . . 113 LEU CB . 25227 1 642 . 1 1 113 113 LEU N N 15 127.249 0.022 . 1 . 90 . . 113 LEU N . 25227 1 643 . 1 1 114 114 GLU H H 1 8.497 0.001 . 1 . 592 . . 114 GLU H . 25227 1 644 . 1 1 114 114 GLU HA H 1 4.232 . . 1 . 669 . . 114 GLU HA . 25227 1 645 . 1 1 114 114 GLU C C 13 175.923 0.007 . 1 . 287 . . 114 GLU C . 25227 1 646 . 1 1 114 114 GLU CA C 13 56.508 . . 1 . 475 . . 114 GLU CA . 25227 1 647 . 1 1 114 114 GLU CB C 13 30.662 . . 1 . 472 . . 114 GLU CB . 25227 1 648 . 1 1 114 114 GLU N N 15 122.450 0.024 . 1 . 593 . . 114 GLU N . 25227 1 649 . 1 1 115 115 ASP H H 1 8.432 0.001 . 1 . 11 . . 115 ASP H . 25227 1 650 . 1 1 115 115 ASP HA H 1 4.547 . . 1 . 677 . . 115 ASP HA . 25227 1 651 . 1 1 115 115 ASP C C 13 175.838 0.001 . 1 . 288 . . 115 ASP C . 25227 1 652 . 1 1 115 115 ASP CA C 13 54.266 0.027 . 1 . 474 . . 115 ASP CA . 25227 1 653 . 1 1 115 115 ASP CB C 13 41.125 0.016 . 1 . 473 . . 115 ASP CB . 25227 1 654 . 1 1 115 115 ASP N N 15 121.591 0.016 . 1 . 12 . . 115 ASP N . 25227 1 655 . 1 1 116 116 MET H H 1 8.333 0.005 . 1 . 205 . . 116 MET H . 25227 1 656 . 1 1 116 116 MET C C 13 174.147 . . 1 . 295 . . 116 MET C . 25227 1 657 . 1 1 116 116 MET CA C 13 53.264 . . 1 . 550 . . 116 MET CA . 25227 1 658 . 1 1 116 116 MET CB C 13 32.392 . . 1 . 549 . . 116 MET CB . 25227 1 659 . 1 1 116 116 MET N N 15 122.163 0.021 . 1 . 206 . . 116 MET N . 25227 1 660 . 1 1 117 117 PRO HA H 1 4.439 . . 1 . 665 . . 117 PRO HA . 25227 1 661 . 1 1 117 117 PRO C C 13 176.754 . . 1 . 282 . . 117 PRO C . 25227 1 662 . 1 1 117 117 PRO CA C 13 62.895 . . 1 . 461 . . 117 PRO CA . 25227 1 663 . 1 1 117 117 PRO CB C 13 32.223 . . 1 . 458 . . 117 PRO CB . 25227 1 664 . 1 1 118 118 VAL H H 1 8.384 0.002 . 1 . 41 . . 118 VAL H . 25227 1 665 . 1 1 118 118 VAL HA H 1 4.043 . . 1 . 719 . . 118 VAL HA . 25227 1 666 . 1 1 118 118 VAL C C 13 175.817 0.002 . 1 . 283 . . 118 VAL C . 25227 1 667 . 1 1 118 118 VAL CA C 13 61.961 0.015 . 1 . 460 . . 118 VAL CA . 25227 1 668 . 1 1 118 118 VAL CB C 13 33.075 0.015 . 1 . 459 . . 118 VAL CB . 25227 1 669 . 1 1 118 118 VAL N N 15 121.052 0.027 . 1 . 42 . . 118 VAL N . 25227 1 670 . 1 1 119 119 ASP H H 1 8.603 0.001 . 1 . 183 . . 119 ASP H . 25227 1 671 . 1 1 119 119 ASP C C 13 174.763 . . 1 . 339 . . 119 ASP C . 25227 1 672 . 1 1 119 119 ASP CA C 13 52.145 . . 1 . 527 . . 119 ASP CA . 25227 1 673 . 1 1 119 119 ASP CB C 13 41.099 . . 1 . 526 . . 119 ASP CB . 25227 1 674 . 1 1 119 119 ASP N N 15 126.216 0.018 . 1 . 184 . . 119 ASP N . 25227 1 675 . 1 1 120 120 PRO HA H 1 4.302 . . 1 . 638 . . 120 PRO HA . 25227 1 676 . 1 1 120 120 PRO C C 13 176.951 . . 1 . 250 . . 120 PRO C . 25227 1 677 . 1 1 120 120 PRO CA C 13 63.554 . . 1 . 403 . . 120 PRO CA . 25227 1 678 . 1 1 120 120 PRO CB C 13 32.231 . . 1 . 402 . . 120 PRO CB . 25227 1 679 . 1 1 121 121 ASP H H 1 8.444 0.001 . 1 . 153 . . 121 ASP H . 25227 1 680 . 1 1 121 121 ASP HA H 1 4.581 . . 1 . 637 . . 121 ASP HA . 25227 1 681 . 1 1 121 121 ASP C C 13 176.208 0.009 . 1 . 251 . . 121 ASP C . 25227 1 682 . 1 1 121 121 ASP CA C 13 54.607 0.01 . 1 . 401 . . 121 ASP CA . 25227 1 683 . 1 1 121 121 ASP CB C 13 40.916 0.008 . 1 . 400 . . 121 ASP CB . 25227 1 684 . 1 1 121 121 ASP N N 15 119.399 0.016 . 1 . 154 . . 121 ASP N . 25227 1 685 . 1 1 122 122 ASN H H 1 8.174 0.002 . 1 . 211 . . 122 ASN H . 25227 1 686 . 1 1 122 122 ASN HA H 1 4.661 . . 1 . 676 . . 122 ASN HA . 25227 1 687 . 1 1 122 122 ASN C C 13 175.448 0.008 . 1 . 252 . . 122 ASN C . 25227 1 688 . 1 1 122 122 ASN CA C 13 53.508 0.001 . 1 . 399 . . 122 ASN CA . 25227 1 689 . 1 1 122 122 ASN CB C 13 39.316 0.041 . 1 . 398 . . 122 ASN CB . 25227 1 690 . 1 1 122 122 ASN N N 15 119.243 0.014 . 1 . 212 . . 122 ASN N . 25227 1 691 . 1 1 123 123 GLU H H 1 8.453 0.001 . 1 . 101 . . 123 GLU H . 25227 1 692 . 1 1 123 123 GLU HA H 1 4.187 . . 1 . 708 . . 123 GLU HA . 25227 1 693 . 1 1 123 123 GLU C C 13 176.124 0.003 . 1 . 294 . . 123 GLU C . 25227 1 694 . 1 1 123 123 GLU CA C 13 56.886 0.028 . 1 . 558 . . 123 GLU CA . 25227 1 695 . 1 1 123 123 GLU CB C 13 30.091 0.006 . 1 . 559 . . 123 GLU CB . 25227 1 696 . 1 1 123 123 GLU N N 15 121.941 0.024 . 1 . 102 . . 123 GLU N . 25227 1 697 . 1 1 124 124 ALA H H 1 8.301 0.001 . 1 . 5 . . 124 ALA H . 25227 1 698 . 1 1 124 124 ALA HA H 1 4.267 . . 1 . 646 . . 124 ALA HA . 25227 1 699 . 1 1 124 124 ALA C C 13 177.249 0.004 . 1 . 327 . . 124 ALA C . 25227 1 700 . 1 1 124 124 ALA CA C 13 52.347 0.0 . 1 . 511 . . 124 ALA CA . 25227 1 701 . 1 1 124 124 ALA CB C 13 19.134 0.009 . 1 . 510 . . 124 ALA CB . 25227 1 702 . 1 1 124 124 ALA N N 15 124.559 0.011 . 1 . 6 . . 124 ALA N . 25227 1 703 . 1 1 125 125 TYR H H 1 8.105 0.001 . 1 . 111 . . 125 TYR H . 25227 1 704 . 1 1 125 125 TYR HA H 1 4.495 . . 1 . 707 . . 125 TYR HA . 25227 1 705 . 1 1 125 125 TYR C C 13 175.371 0.007 . 1 . 262 . . 125 TYR C . 25227 1 706 . 1 1 125 125 TYR CA C 13 57.868 0.003 . 1 . 421 . . 125 TYR CA . 25227 1 707 . 1 1 125 125 TYR CB C 13 39.006 0.001 . 1 . 420 . . 125 TYR CB . 25227 1 708 . 1 1 125 125 TYR N N 15 120.219 0.022 . 1 . 112 . . 125 TYR N . 25227 1 709 . 1 1 126 126 GLU H H 1 8.195 0.001 . 1 . 73 . . 126 GLU H . 25227 1 710 . 1 1 126 126 GLU HA H 1 4.225 . . 1 . 705 . . 126 GLU HA . 25227 1 711 . 1 1 126 126 GLU C C 13 175.434 0.003 . 1 . 326 . . 126 GLU C . 25227 1 712 . 1 1 126 126 GLU CA C 13 55.637 0.017 . 1 . 509 . . 126 GLU CA . 25227 1 713 . 1 1 126 126 GLU CB C 13 30.802 0.03 . 1 . 508 . . 126 GLU CB . 25227 1 714 . 1 1 126 126 GLU N N 15 124.104 0.013 . 1 . 74 . . 126 GLU N . 25227 1 715 . 1 1 127 127 MET H H 1 8.495 0.001 . 1 . 19 . . 127 MET H . 25227 1 716 . 1 1 127 127 MET C C 13 174.318 . . 1 . 324 . . 127 MET C . 25227 1 717 . 1 1 127 127 MET CA C 13 53.328 . . 1 . 505 . . 127 MET CA . 25227 1 718 . 1 1 127 127 MET CB C 13 32.291 . . 1 . 504 . . 127 MET CB . 25227 1 719 . 1 1 127 127 MET N N 15 124.111 0.024 . 1 . 20 . . 127 MET N . 25227 1 720 . 1 1 128 128 PRO HA H 1 4.422 . . 1 . 632 . . 128 PRO HA . 25227 1 721 . 1 1 128 128 PRO C C 13 176.923 . . 1 . 246 . . 128 PRO C . 25227 1 722 . 1 1 128 128 PRO CA C 13 63.110 . . 1 . 380 . . 128 PRO CA . 25227 1 723 . 1 1 128 128 PRO CB C 13 32.219 . . 1 . 381 . . 128 PRO CB . 25227 1 724 . 1 1 129 129 SER H H 1 8.567 0.001 . 1 . 57 . . 129 SER H . 25227 1 725 . 1 1 129 129 SER HA H 1 4.396 . . 1 . 689 . . 129 SER HA . 25227 1 726 . 1 1 129 129 SER C C 13 174.839 0.001 . 1 . 247 . . 129 SER C . 25227 1 727 . 1 1 129 129 SER CA C 13 58.329 0.013 . 1 . 378 . . 129 SER CA . 25227 1 728 . 1 1 129 129 SER CB C 13 63.903 0.052 . 1 . 379 . . 129 SER CB . 25227 1 729 . 1 1 129 129 SER N N 15 116.958 0.017 . 1 . 58 . . 129 SER N . 25227 1 730 . 1 1 130 130 GLU H H 1 8.653 0.001 . 1 . 191 . . 130 GLU H . 25227 1 731 . 1 1 130 130 GLU HA H 1 4.280 . . 1 . 734 . . 130 GLU HA . 25227 1 732 . 1 1 130 130 GLU C C 13 176.570 0.008 . 1 . 309 . . 130 GLU C . 25227 1 733 . 1 1 130 130 GLU CA C 13 56.549 . . 1 . 561 . . 130 GLU CA . 25227 1 734 . 1 1 130 130 GLU CB C 13 30.322 . . 1 . 562 . . 130 GLU CB . 25227 1 735 . 1 1 130 130 GLU N N 15 123.335 0.021 . 1 . 192 . . 130 GLU N . 25227 1 736 . 1 1 131 131 GLU H H 1 8.520 0.005 . 1 . 607 . . 131 GLU H . 25227 1 737 . 1 1 131 131 GLU HA H 1 4.209 . . 1 . 729 . . 131 GLU HA . 25227 1 738 . 1 1 131 131 GLU C C 13 177.005 0.01 . 1 . 609 . . 131 GLU C . 25227 1 739 . 1 1 131 131 GLU N N 15 122.106 0.012 . 1 . 608 . . 131 GLU N . 25227 1 740 . 1 1 132 132 GLY H H 1 8.487 0.007 . 1 . 584 . . 132 GLY H . 25227 1 741 . 1 1 132 132 GLY HA2 H 1 3.887 . . 1 . 652 . . 132 GLY HA2 . 25227 1 742 . 1 1 132 132 GLY C C 13 173.869 0.007 . 1 . 269 . . 132 GLY C . 25227 1 743 . 1 1 132 132 GLY CA C 13 45.130 . . 1 . 434 . . 132 GLY CA . 25227 1 744 . 1 1 132 132 GLY N N 15 110.133 0.018 . 1 . 585 . . 132 GLY N . 25227 1 745 . 1 1 133 133 TYR H H 1 8.132 0.004 . 1 . 33 . . 133 TYR H . 25227 1 746 . 1 1 133 133 TYR HA H 1 4.483 . . 1 . 683 . . 133 TYR HA . 25227 1 747 . 1 1 133 133 TYR C C 13 175.788 0.007 . 1 . 270 . . 133 TYR C . 25227 1 748 . 1 1 133 133 TYR CA C 13 58.224 0.005 . 1 . 436 . . 133 TYR CA . 25227 1 749 . 1 1 133 133 TYR CB C 13 38.759 0.017 . 1 . 435 . . 133 TYR CB . 25227 1 750 . 1 1 133 133 TYR N N 15 120.421 0.014 . 1 . 34 . . 133 TYR N . 25227 1 751 . 1 1 134 134 GLN H H 1 8.286 0.002 . 1 . 109 . . 134 GLN H . 25227 1 752 . 1 1 134 134 GLN HA H 1 4.227 . . 1 . 672 . . 134 GLN HA . 25227 1 753 . 1 1 134 134 GLN C C 13 174.865 0.007 . 1 . 303 . . 134 GLN C . 25227 1 754 . 1 1 134 134 GLN CA C 13 55.424 0.007 . 1 . 565 . . 134 GLN CA . 25227 1 755 . 1 1 134 134 GLN CB C 13 29.831 0.007 . 1 . 566 . . 134 GLN CB . 25227 1 756 . 1 1 134 134 GLN N N 15 122.913 0.038 . 1 . 110 . . 134 GLN N . 25227 1 757 . 1 1 135 135 ASP H H 1 8.299 0.001 . 1 . 29 . . 135 ASP H . 25227 1 758 . 1 1 135 135 ASP HA H 1 4.507 . . 1 . 655 . . 135 ASP HA . 25227 1 759 . 1 1 135 135 ASP C C 13 175.572 0.005 . 1 . 293 . . 135 ASP C . 25227 1 760 . 1 1 135 135 ASP CA C 13 54.279 0.02 . 1 . 486 . . 135 ASP CA . 25227 1 761 . 1 1 135 135 ASP CB C 13 41.180 0.024 . 1 . 485 . . 135 ASP CB . 25227 1 762 . 1 1 135 135 ASP N N 15 121.804 0.024 . 1 . 30 . . 135 ASP N . 25227 1 763 . 1 1 136 136 TYR H H 1 8.109 0.002 . 1 . 131 . . 136 TYR H . 25227 1 764 . 1 1 136 136 TYR HA H 1 4.535 . . 1 . 714 . . 136 TYR HA . 25227 1 765 . 1 1 136 136 TYR C C 13 175.132 0.001 . 1 . 273 . . 136 TYR C . 25227 1 766 . 1 1 136 136 TYR CA C 13 57.636 0.002 . 1 . 443 . . 136 TYR CA . 25227 1 767 . 1 1 136 136 TYR CB C 13 39.140 0.008 . 1 . 442 . . 136 TYR CB . 25227 1 768 . 1 1 136 136 TYR N N 15 120.595 0.039 . 1 . 132 . . 136 TYR N . 25227 1 769 . 1 1 137 137 GLU H H 1 8.322 0.001 . 1 . 99 . . 137 GLU H . 25227 1 770 . 1 1 137 137 GLU C C 13 173.723 . . 1 . 334 . . 137 GLU C . 25227 1 771 . 1 1 137 137 GLU CA C 13 53.693 . . 1 . 520 . . 137 GLU CA . 25227 1 772 . 1 1 137 137 GLU CB C 13 30.277 . . 1 . 519 . . 137 GLU CB . 25227 1 773 . 1 1 137 137 GLU N N 15 125.587 0.018 . 1 . 100 . . 137 GLU N . 25227 1 774 . 1 1 138 138 PRO HA H 1 4.328 . . 1 . 671 . . 138 PRO HA . 25227 1 775 . 1 1 138 138 PRO C C 13 176.911 . . 1 . 291 . . 138 PRO C . 25227 1 776 . 1 1 138 138 PRO CA C 13 62.918 . . 1 . 484 . . 138 PRO CA . 25227 1 777 . 1 1 138 138 PRO CB C 13 32.250 . . 1 . 482 . . 138 PRO CB . 25227 1 778 . 1 1 139 139 GLU H H 1 8.593 0.001 . 1 . 225 . . 139 GLU H . 25227 1 779 . 1 1 139 139 GLU HA H 1 4.190 . . 1 . 610 . . 139 GLU HA . 25227 1 780 . 1 1 139 139 GLU C C 13 175.469 0.006 . 1 . 292 . . 139 GLU C . 25227 1 781 . 1 1 139 139 GLU CA C 13 56.606 0.003 . 1 . 483 . . 139 GLU CA . 25227 1 782 . 1 1 139 139 GLU CB C 13 30.310 0.005 . 1 . 481 . . 139 GLU CB . 25227 1 783 . 1 1 139 139 GLU N N 15 121.723 0.022 . 1 . 226 . . 139 GLU N . 25227 1 784 . 1 1 140 140 ALA H H 1 8.076 0.0 . 1 . 217 . . 140 ALA H . 25227 1 785 . 1 1 140 140 ALA C C 13 176.649 . . 1 . 228 . . 140 ALA C . 25227 1 786 . 1 1 140 140 ALA CA C 13 53.875 . . 1 . 350 . . 140 ALA CA . 25227 1 787 . 1 1 140 140 ALA CB C 13 20.144 . . 1 . 351 . . 140 ALA CB . 25227 1 788 . 1 1 140 140 ALA N N 15 131.076 0.017 . 1 . 218 . . 140 ALA N . 25227 1 stop_ save_