data_25228 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25228 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for alpha-synuclein (H50Q) ; _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. . 25228 2 Christos Proukakis . . . 25228 3 Riccardo Porcari . . . 25228 4 Vittorio Bellotti . . . 25228 5 Anthony Shapira . H.V. . 25228 6 John Christodoulou . . . 25228 7 Carlo Camilloni . . . 25228 8 'Gian Gaetano' Tartaglia . . . 25228 9 Monica Stoppini . . . 25228 10 Guglielmo Verona . . . 25228 11 Michele Vendruscolo . . . 25228 12 Annalisa Relini . . . 25228 13 Amanda Penco . . . 25228 14 Lisa Cabrita . D. . 25228 15 Stephen Mullin . . . 25228 16 Jack Paton . F.S. . 25228 17 Patrizia Mangione . P. . 25228 18 Benedetta Bolognesi . . . 25228 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' . 25228 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' . 25228 2 . 'Department of Structural and Molecular Biology, UCL' . 25228 3 . 'Department of Clinical Neuroscience, Institute of Neurology, UCL' . 25228 4 . 'Centre for Genomic Regulation and University Pompeu Fabra' . 25228 5 . 'Department of Molecular Medicine, Institute of Biochemistry, University of Pavia' . 25228 6 . 'Department of Chemistry, University of Cambridge' . 25228 7 . 'Department of Physics, University of Genoa' . 25228 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25228 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 25228 '15N chemical shifts' 131 25228 '1H chemical shifts' 275 25228 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 . 25228 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25227 'aSyn WT monomer' 25228 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25228 _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 . . . 25228 1 2 Christos Proukakis . . . 25228 1 3 Christopher Waudby . A. . 25228 1 4 Benedetta Bolognesi . . . 25228 1 5 Patrizia Mangione . P. . 25228 1 6 Jack Paton . F.S. . 25228 1 7 Stephen Mullin . . . 25228 1 8 Lisa Cabrita . D. . 25228 1 9 Amanda Penco . . . 25228 1 10 Annalisa Relini . . . 25228 1 11 Guglielmo Verona . . . 25228 1 12 Michele Vendruscolo . . . 25228 1 13 Monica Stoppini . . . 25228 1 14 'Gian Gaetano' Tartaglia . . . 25228 1 15 Carlo Camilloni . . . 25228 1 16 John Christodoulou . . . 25228 1 17 Anthony Shapira . H.V. . 25228 1 18 Vittorio Bellotti . . . 25228 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25228 _Assembly.ID 1 _Assembly.Name 'aSyn H50Q 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 H50Q 1 $H50Q A . yes unfolded no no . . . 25228 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H50Q _Entity.Sf_category entity _Entity.Sf_framecode H50Q _Entity.Entry_ID 25228 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H50Q _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 GSKTKEGVVQGVATVAEKTK 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 H50Q _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 99.29 99.29 1.80e-88 . . . . 25228 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 3 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 1.47e-87 . . . . 25228 1 6 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 98.57 99.29 8.87e-88 . . . . 25228 1 7 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 25228 1 8 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 9 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 3.29e-87 . . . . 25228 1 10 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 1.47e-87 . . . . 25228 1 11 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 12 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 97.86 97.86 2.59e-86 . . . . 25228 1 13 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 97.86 1.43e-86 . . . . 25228 1 14 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 98.57 1.37e-86 . . . . 25228 1 15 no BMRB 17665 . aSyn . . . . . 100.00 150 99.29 99.29 1.00e-87 . . . . 25228 1 16 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 98.57 98.57 3.29e-87 . . . . 25228 1 17 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 97.86 1.43e-86 . . . . 25228 1 18 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 97.86 98.57 1.37e-86 . . . . 25228 1 19 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 3.29e-87 . . . . 25228 1 20 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 21 no BMRB 18860 . a-synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 22 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 23 no BMRB 19337 . aSyn . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 24 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 25228 1 25 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 98.57 99.29 6.39e-88 . . . . 25228 1 26 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 97.86 98.57 2.82e-87 . . . . 25228 1 27 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 28 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 25228 1 29 no BMRB 25227 . aSyn-WT . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 32 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 33 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 34 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 35 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 36 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 37 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 97.86 97.86 8.49e-87 . . . . 25228 1 38 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 39 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 40 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 41 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 42 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 43 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.14 97.14 3.18e-85 . . . . 25228 1 44 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 98.57 98.57 3.59e-87 . . . . 25228 1 45 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 46 no SP P37840 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 47 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 99.29 4.92e-88 . . . . 25228 1 48 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 25228 1 49 no SP P61142 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.86 99.29 6.82e-88 . . . . 25228 1 50 no SP P61143 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.86 99.29 6.82e-88 . . . . 25228 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 . 25228 1 2 2 ASP . 25228 1 3 3 VAL . 25228 1 4 4 PHE . 25228 1 5 5 MET . 25228 1 6 6 LYS . 25228 1 7 7 GLY . 25228 1 8 8 LEU . 25228 1 9 9 SER . 25228 1 10 10 LYS . 25228 1 11 11 ALA . 25228 1 12 12 LYS . 25228 1 13 13 GLU . 25228 1 14 14 GLY . 25228 1 15 15 VAL . 25228 1 16 16 VAL . 25228 1 17 17 ALA . 25228 1 18 18 ALA . 25228 1 19 19 ALA . 25228 1 20 20 GLU . 25228 1 21 21 LYS . 25228 1 22 22 THR . 25228 1 23 23 LYS . 25228 1 24 24 GLN . 25228 1 25 25 GLY . 25228 1 26 26 VAL . 25228 1 27 27 ALA . 25228 1 28 28 GLU . 25228 1 29 29 ALA . 25228 1 30 30 ALA . 25228 1 31 31 GLY . 25228 1 32 32 LYS . 25228 1 33 33 THR . 25228 1 34 34 LYS . 25228 1 35 35 GLU . 25228 1 36 36 GLY . 25228 1 37 37 VAL . 25228 1 38 38 LEU . 25228 1 39 39 TYR . 25228 1 40 40 VAL . 25228 1 41 41 GLY . 25228 1 42 42 SER . 25228 1 43 43 LYS . 25228 1 44 44 THR . 25228 1 45 45 LYS . 25228 1 46 46 GLU . 25228 1 47 47 GLY . 25228 1 48 48 VAL . 25228 1 49 49 VAL . 25228 1 50 50 GLN . 25228 1 51 51 GLY . 25228 1 52 52 VAL . 25228 1 53 53 ALA . 25228 1 54 54 THR . 25228 1 55 55 VAL . 25228 1 56 56 ALA . 25228 1 57 57 GLU . 25228 1 58 58 LYS . 25228 1 59 59 THR . 25228 1 60 60 LYS . 25228 1 61 61 GLU . 25228 1 62 62 GLN . 25228 1 63 63 VAL . 25228 1 64 64 THR . 25228 1 65 65 ASN . 25228 1 66 66 VAL . 25228 1 67 67 GLY . 25228 1 68 68 GLY . 25228 1 69 69 ALA . 25228 1 70 70 VAL . 25228 1 71 71 VAL . 25228 1 72 72 THR . 25228 1 73 73 GLY . 25228 1 74 74 VAL . 25228 1 75 75 THR . 25228 1 76 76 ALA . 25228 1 77 77 VAL . 25228 1 78 78 ALA . 25228 1 79 79 GLN . 25228 1 80 80 LYS . 25228 1 81 81 THR . 25228 1 82 82 VAL . 25228 1 83 83 GLU . 25228 1 84 84 GLY . 25228 1 85 85 ALA . 25228 1 86 86 GLY . 25228 1 87 87 SER . 25228 1 88 88 ILE . 25228 1 89 89 ALA . 25228 1 90 90 ALA . 25228 1 91 91 ALA . 25228 1 92 92 THR . 25228 1 93 93 GLY . 25228 1 94 94 PHE . 25228 1 95 95 VAL . 25228 1 96 96 LYS . 25228 1 97 97 LYS . 25228 1 98 98 ASP . 25228 1 99 99 GLN . 25228 1 100 100 LEU . 25228 1 101 101 GLY . 25228 1 102 102 LYS . 25228 1 103 103 ASN . 25228 1 104 104 GLU . 25228 1 105 105 GLU . 25228 1 106 106 GLY . 25228 1 107 107 ALA . 25228 1 108 108 PRO . 25228 1 109 109 GLN . 25228 1 110 110 GLU . 25228 1 111 111 GLY . 25228 1 112 112 ILE . 25228 1 113 113 LEU . 25228 1 114 114 GLU . 25228 1 115 115 ASP . 25228 1 116 116 MET . 25228 1 117 117 PRO . 25228 1 118 118 VAL . 25228 1 119 119 ASP . 25228 1 120 120 PRO . 25228 1 121 121 ASP . 25228 1 122 122 ASN . 25228 1 123 123 GLU . 25228 1 124 124 ALA . 25228 1 125 125 TYR . 25228 1 126 126 GLU . 25228 1 127 127 MET . 25228 1 128 128 PRO . 25228 1 129 129 SER . 25228 1 130 130 GLU . 25228 1 131 131 GLU . 25228 1 132 132 GLY . 25228 1 133 133 TYR . 25228 1 134 134 GLN . 25228 1 135 135 ASP . 25228 1 136 136 TYR . 25228 1 137 137 GLU . 25228 1 138 138 PRO . 25228 1 139 139 GLU . 25228 1 140 140 ALA . 25228 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 25228 1 . ASP 2 2 25228 1 . VAL 3 3 25228 1 . PHE 4 4 25228 1 . MET 5 5 25228 1 . LYS 6 6 25228 1 . GLY 7 7 25228 1 . LEU 8 8 25228 1 . SER 9 9 25228 1 . LYS 10 10 25228 1 . ALA 11 11 25228 1 . LYS 12 12 25228 1 . GLU 13 13 25228 1 . GLY 14 14 25228 1 . VAL 15 15 25228 1 . VAL 16 16 25228 1 . ALA 17 17 25228 1 . ALA 18 18 25228 1 . ALA 19 19 25228 1 . GLU 20 20 25228 1 . LYS 21 21 25228 1 . THR 22 22 25228 1 . LYS 23 23 25228 1 . GLN 24 24 25228 1 . GLY 25 25 25228 1 . VAL 26 26 25228 1 . ALA 27 27 25228 1 . GLU 28 28 25228 1 . ALA 29 29 25228 1 . ALA 30 30 25228 1 . GLY 31 31 25228 1 . LYS 32 32 25228 1 . THR 33 33 25228 1 . LYS 34 34 25228 1 . GLU 35 35 25228 1 . GLY 36 36 25228 1 . VAL 37 37 25228 1 . LEU 38 38 25228 1 . TYR 39 39 25228 1 . VAL 40 40 25228 1 . GLY 41 41 25228 1 . SER 42 42 25228 1 . LYS 43 43 25228 1 . THR 44 44 25228 1 . LYS 45 45 25228 1 . GLU 46 46 25228 1 . GLY 47 47 25228 1 . VAL 48 48 25228 1 . VAL 49 49 25228 1 . GLN 50 50 25228 1 . GLY 51 51 25228 1 . VAL 52 52 25228 1 . ALA 53 53 25228 1 . THR 54 54 25228 1 . VAL 55 55 25228 1 . ALA 56 56 25228 1 . GLU 57 57 25228 1 . LYS 58 58 25228 1 . THR 59 59 25228 1 . LYS 60 60 25228 1 . GLU 61 61 25228 1 . GLN 62 62 25228 1 . VAL 63 63 25228 1 . THR 64 64 25228 1 . ASN 65 65 25228 1 . VAL 66 66 25228 1 . GLY 67 67 25228 1 . GLY 68 68 25228 1 . ALA 69 69 25228 1 . VAL 70 70 25228 1 . VAL 71 71 25228 1 . THR 72 72 25228 1 . GLY 73 73 25228 1 . VAL 74 74 25228 1 . THR 75 75 25228 1 . ALA 76 76 25228 1 . VAL 77 77 25228 1 . ALA 78 78 25228 1 . GLN 79 79 25228 1 . LYS 80 80 25228 1 . THR 81 81 25228 1 . VAL 82 82 25228 1 . GLU 83 83 25228 1 . GLY 84 84 25228 1 . ALA 85 85 25228 1 . GLY 86 86 25228 1 . SER 87 87 25228 1 . ILE 88 88 25228 1 . ALA 89 89 25228 1 . ALA 90 90 25228 1 . ALA 91 91 25228 1 . THR 92 92 25228 1 . GLY 93 93 25228 1 . PHE 94 94 25228 1 . VAL 95 95 25228 1 . LYS 96 96 25228 1 . LYS 97 97 25228 1 . ASP 98 98 25228 1 . GLN 99 99 25228 1 . LEU 100 100 25228 1 . GLY 101 101 25228 1 . LYS 102 102 25228 1 . ASN 103 103 25228 1 . GLU 104 104 25228 1 . GLU 105 105 25228 1 . GLY 106 106 25228 1 . ALA 107 107 25228 1 . PRO 108 108 25228 1 . GLN 109 109 25228 1 . GLU 110 110 25228 1 . GLY 111 111 25228 1 . ILE 112 112 25228 1 . LEU 113 113 25228 1 . GLU 114 114 25228 1 . ASP 115 115 25228 1 . MET 116 116 25228 1 . PRO 117 117 25228 1 . VAL 118 118 25228 1 . ASP 119 119 25228 1 . PRO 120 120 25228 1 . ASP 121 121 25228 1 . ASN 122 122 25228 1 . GLU 123 123 25228 1 . ALA 124 124 25228 1 . TYR 125 125 25228 1 . GLU 126 126 25228 1 . MET 127 127 25228 1 . PRO 128 128 25228 1 . SER 129 129 25228 1 . GLU 130 130 25228 1 . GLU 131 131 25228 1 . GLY 132 132 25228 1 . TYR 133 133 25228 1 . GLN 134 134 25228 1 . ASP 135 135 25228 1 . TYR 136 136 25228 1 . GLU 137 137 25228 1 . PRO 138 138 25228 1 . GLU 139 139 25228 1 . ALA 140 140 25228 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 25228 _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 $H50Q . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SNCA 'H50Q variant' 25228 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 25228 _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 $H50Q . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . pT7.7 . . . 25228 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25228 _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 H50Q '[U-13C; U-15N]' . . 1 $H50Q . . 0.7 . . mM . . . . 25228 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 25228 1 3 NaCl 'natural abundance' . . . . . . 100.0 . . mM . . . . 25228 1 4 NaN3 'natural abundance' . . . . . . 1e-07 . . kg/m3 . . . . 25228 1 5 DSS 'natural abundance' . . . . . . 1e-08 . . kg/m3 . . . . 25228 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25228 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25228 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 25228 _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 25228 1 pressure 1.000 . atm 25228 1 temperature 283.000 . K 25228 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25228 _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 25228 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 25228 1 'peak picking' 25228 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 25228 _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 . . 25228 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 25228 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25228 _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' . . 25228 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25228 3 stop_ save_ save_manual_assignment _Method.Sf_category method _Method.Sf_framecode manual_assignment _Method.Entry_ID 25228 _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 25228 _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 25228 _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 25228 _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 25228 _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 . . . 25228 1 stop_ save_ save_TXI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TXI _NMR_spectrometer_probe.Entry_ID 25228 _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 25228 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 25228 _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 HA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 1 2 '3D BEST-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 1 3 '3D BEST-HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 1 5 '3D BEST-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 1 6 '3D BEST-iHNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 1 7 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 25228 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 25228 _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 . . . . . . . . . 25228 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25228 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25228 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 25228 _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 HA(CO)NH' 1 $sample_1 isotropic 25228 1 2 '3D BEST-HNCACB' 1 $sample_1 isotropic 25228 1 3 '3D BEST-HNCOCACB' 1 $sample_1 isotropic 25228 1 4 '3D HNHA' 1 $sample_1 isotropic 25228 1 5 '3D BEST-HNCO' 1 $sample_1 isotropic 25228 1 6 '3D BEST-iHNCO' 1 $sample_1 isotropic 25228 1 7 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 25228 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 25228 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 4.678 . . 1 . 722 . . 2 ASP HA . 25228 1 2 . 1 1 2 2 ASP C C 13 175.903 . . 1 . 288 . . 2 ASP C . 25228 1 3 . 1 1 2 2 ASP CA C 13 54.248 0.017 . 1 . 470 . . 2 ASP CA . 25228 1 4 . 1 1 2 2 ASP CB C 13 41.548 0.001 . 1 . 471 . . 2 ASP CB . 25228 1 5 . 1 1 3 3 VAL H H 1 8.322 0.001 . 1 . 7 . . 3 VAL H . 25228 1 6 . 1 1 3 3 VAL HA H 1 4.000 . . 1 . 767 . . 3 VAL HA . 25228 1 7 . 1 1 3 3 VAL C C 13 175.967 0.002 . 1 . 289 . . 3 VAL C . 25228 1 8 . 1 1 3 3 VAL CA C 13 62.622 0.016 . 1 . 469 . . 3 VAL CA . 25228 1 9 . 1 1 3 3 VAL CB C 13 32.664 0.009 . 1 . 472 . . 3 VAL CB . 25228 1 10 . 1 1 3 3 VAL N N 15 120.590 0.019 . 1 . 8 . . 3 VAL N . 25228 1 11 . 1 1 4 4 PHE H H 1 8.424 0.001 . 1 . 105 . . 4 PHE H . 25228 1 12 . 1 1 4 4 PHE HA H 1 4.582 . . 1 . 749 . . 4 PHE HA . 25228 1 13 . 1 1 4 4 PHE C C 13 175.884 0.0 . 1 . 338 . . 4 PHE C . 25228 1 14 . 1 1 4 4 PHE CA C 13 58.029 0.005 . 1 . 621 . . 4 PHE CA . 25228 1 15 . 1 1 4 4 PHE CB C 13 39.379 0.02 . 1 . 622 . . 4 PHE CB . 25228 1 16 . 1 1 4 4 PHE N N 15 123.761 0.018 . 1 . 106 . . 4 PHE N . 25228 1 17 . 1 1 5 5 MET H H 1 8.279 0.001 . 1 . 193 . . 5 MET H . 25228 1 18 . 1 1 5 5 MET HA H 1 4.372 . . 1 . 752 . . 5 MET HA . 25228 1 19 . 1 1 5 5 MET C C 13 175.990 0.0 . 1 . 317 . . 5 MET C . 25228 1 20 . 1 1 5 5 MET CA C 13 55.360 0.023 . 1 . 603 . . 5 MET CA . 25228 1 21 . 1 1 5 5 MET CB C 13 32.705 0.008 . 1 . 602 . . 5 MET CB . 25228 1 22 . 1 1 5 5 MET N N 15 122.515 0.014 . 1 . 194 . . 5 MET N . 25228 1 23 . 1 1 6 6 LYS H H 1 8.341 0.001 . 1 . 125 . . 6 LYS H . 25228 1 24 . 1 1 6 6 LYS HA H 1 4.179 . . 1 . 804 . . 6 LYS HA . 25228 1 25 . 1 1 6 6 LYS C C 13 177.218 0.002 . 1 . 320 . . 6 LYS C . 25228 1 26 . 1 1 6 6 LYS CA C 13 57.040 . . 1 . 612 . . 6 LYS CA . 25228 1 27 . 1 1 6 6 LYS CB C 13 32.856 0.016 . 1 . 648 . . 6 LYS CB . 25228 1 28 . 1 1 6 6 LYS N N 15 122.793 0.009 . 1 . 126 . . 6 LYS N . 25228 1 29 . 1 1 7 7 GLY H H 1 8.495 0.001 . 1 . 638 . . 7 GLY H . 25228 1 30 . 1 1 7 7 GLY HA2 H 1 3.922 . . 1 . 738 . . 7 GLY HA2 . 25228 1 31 . 1 1 7 7 GLY C C 13 174.264 0.009 . 1 . 307 . . 7 GLY C . 25228 1 32 . 1 1 7 7 GLY CA C 13 45.351 0.008 . 1 . 512 . . 7 GLY CA . 25228 1 33 . 1 1 7 7 GLY N N 15 110.047 0.012 . 1 . 639 . . 7 GLY N . 25228 1 34 . 1 1 8 8 LEU H H 1 8.125 0.001 . 1 . 127 . . 8 LEU H . 25228 1 35 . 1 1 8 8 LEU HA H 1 4.361 . . 1 . 696 . . 8 LEU HA . 25228 1 36 . 1 1 8 8 LEU C C 13 177.738 0.006 . 1 . 308 . . 8 LEU C . 25228 1 37 . 1 1 8 8 LEU CA C 13 55.224 0.037 . 1 . 513 . . 8 LEU CA . 25228 1 38 . 1 1 8 8 LEU CB C 13 42.495 0.001 . 1 . 511 . . 8 LEU CB . 25228 1 39 . 1 1 8 8 LEU N N 15 121.651 0.013 . 1 . 128 . . 8 LEU N . 25228 1 40 . 1 1 9 9 SER H H 1 8.393 0.001 . 1 . 1 . . 9 SER H . 25228 1 41 . 1 1 9 9 SER HA H 1 4.393 . . 1 . 768 . . 9 SER HA . 25228 1 42 . 1 1 9 9 SER C C 13 174.643 . . 1 . 339 . . 9 SER C . 25228 1 43 . 1 1 9 9 SER CA C 13 58.472 0.008 . 1 . 401 . . 9 SER CA . 25228 1 44 . 1 1 9 9 SER CB C 13 63.776 0.01 . 1 . 402 . . 9 SER CB . 25228 1 45 . 1 1 9 9 SER N N 15 116.815 0.018 . 1 . 2 . . 9 SER N . 25228 1 46 . 1 1 10 10 LYS H H 1 8.440 0.002 . 1 . 221 . . 10 LYS H . 25228 1 47 . 1 1 10 10 LYS HA H 1 4.289 . . 1 . 785 . . 10 LYS HA . 25228 1 48 . 1 1 10 10 LYS C C 13 176.557 0.004 . 1 . 632 . . 10 LYS C . 25228 1 49 . 1 1 10 10 LYS CA C 13 56.359 0.011 . 1 . 528 . . 10 LYS CA . 25228 1 50 . 1 1 10 10 LYS CB C 13 32.842 0.14 . 1 . 529 . . 10 LYS CB . 25228 1 51 . 1 1 10 10 LYS N N 15 123.756 0.039 . 1 . 222 . . 10 LYS N . 25228 1 52 . 1 1 11 11 ALA H H 1 8.362 0.001 . 1 . 165 . . 11 ALA H . 25228 1 53 . 1 1 11 11 ALA HA H 1 4.239 . . 1 . 731 . . 11 ALA HA . 25228 1 54 . 1 1 11 11 ALA C C 13 178.003 0.004 . 1 . 355 . . 11 ALA C . 25228 1 55 . 1 1 11 11 ALA CA C 13 52.738 0.015 . 1 . 487 . . 11 ALA CA . 25228 1 56 . 1 1 11 11 ALA CB C 13 19.147 0.015 . 1 . 485 . . 11 ALA CB . 25228 1 57 . 1 1 11 11 ALA N N 15 125.379 0.025 . 1 . 166 . . 11 ALA N . 25228 1 58 . 1 1 12 12 LYS H H 1 8.406 0.001 . 1 . 29 . . 12 LYS H . 25228 1 59 . 1 1 12 12 LYS HA H 1 4.246 . . 1 . 812 . . 12 LYS HA . 25228 1 60 . 1 1 12 12 LYS C C 13 176.791 0.001 . 1 . 297 . . 12 LYS C . 25228 1 61 . 1 1 12 12 LYS CA C 13 56.531 . . 1 . 488 . . 12 LYS CA . 25228 1 62 . 1 1 12 12 LYS CB C 13 32.995 . . 1 . 486 . . 12 LYS CB . 25228 1 63 . 1 1 12 12 LYS N N 15 120.993 0.019 . 1 . 30 . . 12 LYS N . 25228 1 64 . 1 1 13 13 GLU H H 1 8.500 0.002 . 1 . 669 . . 13 GLU H . 25228 1 65 . 1 1 13 13 GLU HA H 1 4.234 . . 1 . 806 . . 13 GLU HA . 25228 1 66 . 1 1 13 13 GLU C C 13 177.116 0.001 . 1 . 659 . . 13 GLU C . 25228 1 67 . 1 1 13 13 GLU CA C 13 56.993 . . 1 . 666 . . 13 GLU CA . 25228 1 68 . 1 1 13 13 GLU CB C 13 30.331 . . 1 . 663 . . 13 GLU CB . 25228 1 69 . 1 1 13 13 GLU N N 15 122.335 0.015 . 1 . 670 . . 13 GLU N . 25228 1 70 . 1 1 14 14 GLY H H 1 8.529 0.001 . 1 . 642 . . 14 GLY H . 25228 1 71 . 1 1 14 14 GLY HA2 H 1 3.935 . . 1 . 717 . . 14 GLY HA2 . 25228 1 72 . 1 1 14 14 GLY C C 13 174.094 0.007 . 1 . 281 . . 14 GLY C . 25228 1 73 . 1 1 14 14 GLY CA C 13 45.336 0.004 . 1 . 457 . . 14 GLY CA . 25228 1 74 . 1 1 14 14 GLY N N 15 110.238 0.023 . 1 . 643 . . 14 GLY N . 25228 1 75 . 1 1 15 15 VAL H H 1 8.039 0.001 . 1 . 223 . . 15 VAL H . 25228 1 76 . 1 1 15 15 VAL HA H 1 4.069 . . 1 . 786 . . 15 VAL HA . 25228 1 77 . 1 1 15 15 VAL C C 13 176.562 0.007 . 1 . 282 . . 15 VAL C . 25228 1 78 . 1 1 15 15 VAL CA C 13 62.674 0.003 . 1 . 456 . . 15 VAL CA . 25228 1 79 . 1 1 15 15 VAL CB C 13 32.711 . . 1 . 458 . . 15 VAL CB . 25228 1 80 . 1 1 15 15 VAL N N 15 120.303 0.016 . 1 . 224 . . 15 VAL N . 25228 1 81 . 1 1 16 16 VAL H H 1 8.367 0.002 . 1 . 161 . . 16 VAL H . 25228 1 82 . 1 1 16 16 VAL HA H 1 4.041 . . 1 . 802 . . 16 VAL HA . 25228 1 83 . 1 1 16 16 VAL C C 13 176.085 0.001 . 1 . 356 . . 16 VAL C . 25228 1 84 . 1 1 16 16 VAL CA C 13 62.521 0.034 . 1 . 633 . . 16 VAL CA . 25228 1 85 . 1 1 16 16 VAL CB C 13 32.678 0.007 . 1 . 634 . . 16 VAL CB . 25228 1 86 . 1 1 16 16 VAL N N 15 125.478 0.016 . 1 . 162 . . 16 VAL N . 25228 1 87 . 1 1 17 17 ALA H H 1 8.520 0.001 . 1 . 33 . . 17 ALA H . 25228 1 88 . 1 1 17 17 ALA HA H 1 4.242 . . 1 . 770 . . 17 ALA HA . 25228 1 89 . 1 1 17 17 ALA C C 13 177.770 0.005 . 1 . 373 . . 17 ALA C . 25228 1 90 . 1 1 17 17 ALA CA C 13 52.606 0.003 . 1 . 578 . . 17 ALA CA . 25228 1 91 . 1 1 17 17 ALA CB C 13 19.099 0.004 . 1 . 577 . . 17 ALA CB . 25228 1 92 . 1 1 17 17 ALA N N 15 128.567 0.014 . 1 . 34 . . 17 ALA N . 25228 1 93 . 1 1 18 18 ALA H H 1 8.385 0.001 . 1 . 167 . . 18 ALA H . 25228 1 94 . 1 1 18 18 ALA HA H 1 4.209 . . 1 . 758 . . 18 ALA HA . 25228 1 95 . 1 1 18 18 ALA C C 13 177.998 0.007 . 1 . 340 . . 18 ALA C . 25228 1 96 . 1 1 18 18 ALA CA C 13 52.797 0.025 . 1 . 623 . . 18 ALA CA . 25228 1 97 . 1 1 18 18 ALA CB C 13 19.061 0.008 . 1 . 624 . . 18 ALA CB . 25228 1 98 . 1 1 18 18 ALA N N 15 123.803 0.017 . 1 . 168 . . 18 ALA N . 25228 1 99 . 1 1 19 19 ALA H H 1 8.345 0.001 . 1 . 91 . . 19 ALA H . 25228 1 100 . 1 1 19 19 ALA HA H 1 4.243 . . 1 . 714 . . 19 ALA HA . 25228 1 101 . 1 1 19 19 ALA C C 13 178.276 0.004 . 1 . 329 . . 19 ALA C . 25228 1 102 . 1 1 19 19 ALA CA C 13 52.806 0.008 . 1 . 450 . . 19 ALA CA . 25228 1 103 . 1 1 19 19 ALA CB C 13 19.078 0.001 . 1 . 452 . . 19 ALA CB . 25228 1 104 . 1 1 19 19 ALA N N 15 123.213 0.013 . 1 . 92 . . 19 ALA N . 25228 1 105 . 1 1 20 20 GLU H H 1 8.392 0.0 . 1 . 173 . . 20 GLU H . 25228 1 106 . 1 1 20 20 GLU HA H 1 4.206 . . 1 . 748 . . 20 GLU HA . 25228 1 107 . 1 1 20 20 GLU C C 13 176.982 0.0 . 1 . 278 . . 20 GLU C . 25228 1 108 . 1 1 20 20 GLU CA C 13 56.864 0.022 . 1 . 449 . . 20 GLU CA . 25228 1 109 . 1 1 20 20 GLU CB C 13 30.235 0.014 . 1 . 451 . . 20 GLU CB . 25228 1 110 . 1 1 20 20 GLU N N 15 120.209 0.019 . 1 . 174 . . 20 GLU N . 25228 1 111 . 1 1 21 21 LYS H H 1 8.401 0.001 . 1 . 137 . . 21 LYS H . 25228 1 112 . 1 1 21 21 LYS HA H 1 4.310 . . 1 . 690 . . 21 LYS HA . 25228 1 113 . 1 1 21 21 LYS C C 13 177.218 0.002 . 1 . 316 . . 21 LYS C . 25228 1 114 . 1 1 21 21 LYS CA C 13 56.832 0.002 . 1 . 591 . . 21 LYS CA . 25228 1 115 . 1 1 21 21 LYS CB C 13 32.898 0.007 . 1 . 590 . . 21 LYS CB . 25228 1 116 . 1 1 21 21 LYS N N 15 122.438 0.015 . 1 . 138 . . 21 LYS N . 25228 1 117 . 1 1 22 22 THR H H 1 8.217 0.0 . 1 . 153 . . 22 THR H . 25228 1 118 . 1 1 22 22 THR HA H 1 4.261 . . 1 . 769 . . 22 THR HA . 25228 1 119 . 1 1 22 22 THR C C 13 174.763 0.002 . 1 . 256 . . 22 THR C . 25228 1 120 . 1 1 22 22 THR CA C 13 62.413 0.011 . 1 . 583 . . 22 THR CA . 25228 1 121 . 1 1 22 22 THR CB C 13 69.867 0.024 . 1 . 584 . . 22 THR CB . 25228 1 122 . 1 1 22 22 THR N N 15 115.543 0.016 . 1 . 154 . . 22 THR N . 25228 1 123 . 1 1 23 23 LYS H H 1 8.424 0.001 . 1 . 145 . . 23 LYS H . 25228 1 124 . 1 1 23 23 LYS HA H 1 4.273 . . 1 . 741 . . 23 LYS HA . 25228 1 125 . 1 1 23 23 LYS C C 13 176.810 0.007 . 1 . 344 . . 23 LYS C . 25228 1 126 . 1 1 23 23 LYS CA C 13 56.809 0.036 . 1 . 535 . . 23 LYS CA . 25228 1 127 . 1 1 23 23 LYS CB C 13 32.921 0.058 . 1 . 534 . . 23 LYS CB . 25228 1 128 . 1 1 23 23 LYS N N 15 123.950 0.023 . 1 . 146 . . 23 LYS N . 25228 1 129 . 1 1 24 24 GLN H H 1 8.505 0.001 . 1 . 27 . . 24 GLN H . 25228 1 130 . 1 1 24 24 GLN HA H 1 4.276 . . 1 . 681 . . 24 GLN HA . 25228 1 131 . 1 1 24 24 GLN C C 13 176.683 0.003 . 1 . 321 . . 24 GLN C . 25228 1 132 . 1 1 24 24 GLN CA C 13 56.242 0.032 . 1 . 384 . . 24 GLN CA . 25228 1 133 . 1 1 24 24 GLN CB C 13 29.426 0.041 . 1 . 383 . . 24 GLN CB . 25228 1 134 . 1 1 24 24 GLN N N 15 121.810 0.034 . 1 . 28 . . 24 GLN N . 25228 1 135 . 1 1 25 25 GLY H H 1 8.548 0.001 . 1 . 11 . . 25 GLY H . 25228 1 136 . 1 1 25 25 GLY HA2 H 1 3.928 . . 2 . 709 . . 25 GLY HA2 . 25228 1 137 . 1 1 25 25 GLY HA3 H 1 3.973 . . 2 . 710 . . 25 GLY HA3 . 25228 1 138 . 1 1 25 25 GLY C C 13 174.345 0.01 . 1 . 247 . . 25 GLY C . 25228 1 139 . 1 1 25 25 GLY CA C 13 45.400 0.024 . 1 . 439 . . 25 GLY CA . 25228 1 140 . 1 1 25 25 GLY N N 15 110.654 0.035 . 1 . 12 . . 25 GLY N . 25228 1 141 . 1 1 26 26 VAL H H 1 8.085 0.001 . 1 . 195 . . 26 VAL H . 25228 1 142 . 1 1 26 26 VAL HA H 1 4.050 . . 1 . 796 . . 26 VAL HA . 25228 1 143 . 1 1 26 26 VAL C C 13 176.475 0.004 . 1 . 273 . . 26 VAL C . 25228 1 144 . 1 1 26 26 VAL CA C 13 62.684 0.012 . 1 . 438 . . 26 VAL CA . 25228 1 145 . 1 1 26 26 VAL CB C 13 32.747 0.057 . 1 . 437 . . 26 VAL CB . 25228 1 146 . 1 1 26 26 VAL N N 15 119.948 0.016 . 1 . 196 . . 26 VAL N . 25228 1 147 . 1 1 27 27 ALA H H 1 8.490 0.001 . 1 . 185 . . 27 ALA H . 25228 1 148 . 1 1 27 27 ALA HA H 1 4.266 . . 1 . 724 . . 27 ALA HA . 25228 1 149 . 1 1 27 27 ALA C C 13 178.235 0.002 . 1 . 366 . . 27 ALA C . 25228 1 150 . 1 1 27 27 ALA CA C 13 52.838 0.02 . 1 . 594 . . 27 ALA CA . 25228 1 151 . 1 1 27 27 ALA CB C 13 19.035 0.01 . 1 . 568 . . 27 ALA CB . 25228 1 152 . 1 1 27 27 ALA N N 15 127.498 0.019 . 1 . 186 . . 27 ALA N . 25228 1 153 . 1 1 28 28 GLU H H 1 8.469 0.001 . 1 . 121 . . 28 GLU H . 25228 1 154 . 1 1 28 28 GLU HA H 1 4.176 . . 1 . 782 . . 28 GLU HA . 25228 1 155 . 1 1 28 28 GLU C C 13 176.749 0.004 . 1 . 291 . . 28 GLU C . 25228 1 156 . 1 1 28 28 GLU CA C 13 56.950 0.047 . 1 . 476 . . 28 GLU CA . 25228 1 157 . 1 1 28 28 GLU CB C 13 30.242 0.017 . 1 . 475 . . 28 GLU CB . 25228 1 158 . 1 1 28 28 GLU N N 15 120.665 0.015 . 1 . 122 . . 28 GLU N . 25228 1 159 . 1 1 29 29 ALA H H 1 8.364 0.001 . 1 . 59 . . 29 ALA H . 25228 1 160 . 1 1 29 29 ALA HA H 1 4.241 . . 1 . 757 . . 29 ALA HA . 25228 1 161 . 1 1 29 29 ALA C C 13 177.823 0.008 . 1 . 352 . . 29 ALA C . 25228 1 162 . 1 1 29 29 ALA CA C 13 52.790 0.003 . 1 . 549 . . 29 ALA CA . 25228 1 163 . 1 1 29 29 ALA CB C 13 19.058 0.001 . 1 . 548 . . 29 ALA CB . 25228 1 164 . 1 1 29 29 ALA N N 15 125.025 0.028 . 1 . 60 . . 29 ALA N . 25228 1 165 . 1 1 30 30 ALA H H 1 8.304 0.001 . 1 . 35 . . 30 ALA H . 25228 1 166 . 1 1 30 30 ALA HA H 1 4.267 . . 1 . 674 . . 30 ALA HA . 25228 1 167 . 1 1 30 30 ALA C C 13 178.526 0.002 . 1 . 328 . . 30 ALA C . 25228 1 168 . 1 1 30 30 ALA CA C 13 52.869 0.025 . 1 . 629 . . 30 ALA CA . 25228 1 169 . 1 1 30 30 ALA CB C 13 19.073 0.005 . 1 . 630 . . 30 ALA CB . 25228 1 170 . 1 1 30 30 ALA N N 15 123.157 0.019 . 1 . 36 . . 30 ALA N . 25228 1 171 . 1 1 31 31 GLY H H 1 8.376 0.001 . 1 . 181 . . 31 GLY H . 25228 1 172 . 1 1 31 31 GLY HA2 H 1 3.905 . . 2 . 726 . . 31 GLY HA2 . 25228 1 173 . 1 1 31 31 GLY HA3 H 1 3.947 . . 2 . 727 . . 31 GLY HA3 . 25228 1 174 . 1 1 31 31 GLY C C 13 174.242 0.003 . 1 . 241 . . 31 GLY C . 25228 1 175 . 1 1 31 31 GLY CA C 13 45.356 0.012 . 1 . 374 . . 31 GLY CA . 25228 1 176 . 1 1 31 31 GLY N N 15 107.888 0.019 . 1 . 182 . . 31 GLY N . 25228 1 177 . 1 1 32 32 LYS H H 1 8.182 0.001 . 1 . 57 . . 32 LYS H . 25228 1 178 . 1 1 32 32 LYS HA H 1 4.399 . . 1 . 693 . . 32 LYS HA . 25228 1 179 . 1 1 32 32 LYS C C 13 177.070 0.0 . 1 . 294 . . 32 LYS C . 25228 1 180 . 1 1 32 32 LYS CA C 13 56.304 0.011 . 1 . 480 . . 32 LYS CA . 25228 1 181 . 1 1 32 32 LYS CB C 13 33.227 0.009 . 1 . 479 . . 32 LYS CB . 25228 1 182 . 1 1 32 32 LYS N N 15 120.829 0.014 . 1 . 58 . . 32 LYS N . 25228 1 183 . 1 1 33 33 THR H H 1 8.309 0.003 . 1 . 133 . . 33 THR H . 25228 1 184 . 1 1 33 33 THR HA H 1 4.325 . . 1 . 775 . . 33 THR HA . 25228 1 185 . 1 1 33 33 THR C C 13 174.711 0.008 . 1 . 259 . . 33 THR C . 25228 1 186 . 1 1 33 33 THR CA C 13 62.005 0.03 . 1 . 396 . . 33 THR CA . 25228 1 187 . 1 1 33 33 THR CB C 13 70.063 0.022 . 1 . 395 . . 33 THR CB . 25228 1 188 . 1 1 33 33 THR N N 15 115.815 0.047 . 1 . 134 . . 33 THR N . 25228 1 189 . 1 1 34 34 LYS H H 1 8.551 0.001 . 1 . 71 . . 34 LYS H . 25228 1 190 . 1 1 34 34 LYS C C 13 176.601 . . 1 . 346 . . 34 LYS C . 25228 1 191 . 1 1 34 34 LYS CA C 13 56.568 . . 1 . 626 . . 34 LYS CA . 25228 1 192 . 1 1 34 34 LYS CB C 13 32.978 . . 1 . 625 . . 34 LYS CB . 25228 1 193 . 1 1 34 34 LYS N N 15 124.021 0.038 . 1 . 72 . . 34 LYS N . 25228 1 194 . 1 1 35 35 GLU HA H 1 4.228 . . 1 . 808 . . 35 GLU HA . 25228 1 195 . 1 1 35 35 GLU C C 13 177.010 . . 1 . 658 . . 35 GLU C . 25228 1 196 . 1 1 35 35 GLU CA C 13 56.954 . . 1 . 667 . . 35 GLU CA . 25228 1 197 . 1 1 35 35 GLU CB C 13 30.215 . . 1 . 665 . . 35 GLU CB . 25228 1 198 . 1 1 36 36 GLY H H 1 8.516 0.001 . 1 . 640 . . 36 GLY H . 25228 1 199 . 1 1 36 36 GLY HA2 H 1 3.919 . . 2 . 707 . . 36 GLY HA2 . 25228 1 200 . 1 1 36 36 GLY HA3 H 1 3.952 . . 2 . 708 . . 36 GLY HA3 . 25228 1 201 . 1 1 36 36 GLY C C 13 174.063 0.007 . 1 . 271 . . 36 GLY C . 25228 1 202 . 1 1 36 36 GLY CA C 13 45.321 0.001 . 1 . 435 . . 36 GLY CA . 25228 1 203 . 1 1 36 36 GLY N N 15 110.147 0.017 . 1 . 641 . . 36 GLY N . 25228 1 204 . 1 1 37 37 VAL H H 1 7.976 0.001 . 1 . 23 . . 37 VAL H . 25228 1 205 . 1 1 37 37 VAL HA H 1 4.044 . . 1 . 792 . . 37 VAL HA . 25228 1 206 . 1 1 37 37 VAL C C 13 175.991 0.0 . 1 . 272 . . 37 VAL C . 25228 1 207 . 1 1 37 37 VAL CA C 13 62.378 0.01 . 1 . 434 . . 37 VAL CA . 25228 1 208 . 1 1 37 37 VAL CB C 13 32.791 0.052 . 1 . 560 . . 37 VAL CB . 25228 1 209 . 1 1 37 37 VAL N N 15 119.713 0.022 . 1 . 24 . . 37 VAL N . 25228 1 210 . 1 1 38 38 LEU H H 1 8.358 0.001 . 1 . 143 . . 38 LEU H . 25228 1 211 . 1 1 38 38 LEU HA H 1 4.323 . . 1 . 750 . . 38 LEU HA . 25228 1 212 . 1 1 38 38 LEU C C 13 176.715 0.012 . 1 . 362 . . 38 LEU C . 25228 1 213 . 1 1 38 38 LEU CA C 13 55.089 0.065 . 1 . 562 . . 38 LEU CA . 25228 1 214 . 1 1 38 38 LEU CB C 13 42.471 0.013 . 1 . 561 . . 38 LEU CB . 25228 1 215 . 1 1 38 38 LEU N N 15 125.998 0.017 . 1 . 144 . . 38 LEU N . 25228 1 216 . 1 1 39 39 TYR H H 1 8.347 0.001 . 1 . 135 . . 39 TYR H . 25228 1 217 . 1 1 39 39 TYR HA H 1 4.557 . . 1 . 766 . . 39 TYR HA . 25228 1 218 . 1 1 39 39 TYR C C 13 175.622 0.004 . 1 . 318 . . 39 TYR C . 25228 1 219 . 1 1 39 39 TYR CA C 13 57.992 0.019 . 1 . 611 . . 39 TYR CA . 25228 1 220 . 1 1 39 39 TYR CB C 13 38.861 0.029 . 1 . 610 . . 39 TYR CB . 25228 1 221 . 1 1 39 39 TYR N N 15 122.665 0.019 . 1 . 136 . . 39 TYR N . 25228 1 222 . 1 1 40 40 VAL H H 1 8.149 0.001 . 1 . 53 . . 40 VAL H . 25228 1 223 . 1 1 40 40 VAL HA H 1 4.036 . . 1 . 686 . . 40 VAL HA . 25228 1 224 . 1 1 40 40 VAL C C 13 176.173 0.0 . 1 . 337 . . 40 VAL C . 25228 1 225 . 1 1 40 40 VAL CA C 13 62.221 0.006 . 1 . 527 . . 40 VAL CA . 25228 1 226 . 1 1 40 40 VAL CB C 13 32.839 0.019 . 1 . 526 . . 40 VAL CB . 25228 1 227 . 1 1 40 40 VAL N N 15 123.606 0.015 . 1 . 54 . . 40 VAL N . 25228 1 228 . 1 1 41 41 GLY H H 1 8.098 0.001 . 1 . 47 . . 41 GLY H . 25228 1 229 . 1 1 41 41 GLY HA2 H 1 3.914 . . 1 . 692 . . 41 GLY HA2 . 25228 1 230 . 1 1 41 41 GLY C C 13 173.981 0.002 . 1 . 252 . . 41 GLY C . 25228 1 231 . 1 1 41 41 GLY CA C 13 45.209 0.034 . 1 . 388 . . 41 GLY CA . 25228 1 232 . 1 1 41 41 GLY N N 15 112.299 0.02 . 1 . 48 . . 41 GLY N . 25228 1 233 . 1 1 42 42 SER H H 1 8.334 0.002 . 1 . 41 . . 42 SER H . 25228 1 234 . 1 1 42 42 SER HA H 1 4.429 . . 1 . 765 . . 42 SER HA . 25228 1 235 . 1 1 42 42 SER C C 13 174.827 . . 1 . 336 . . 42 SER C . 25228 1 236 . 1 1 42 42 SER CA C 13 58.472 0.002 . 1 . 393 . . 42 SER CA . 25228 1 237 . 1 1 42 42 SER CB C 13 63.908 0.007 . 1 . 394 . . 42 SER CB . 25228 1 238 . 1 1 42 42 SER N N 15 115.731 0.015 . 1 . 42 . . 42 SER N . 25228 1 239 . 1 1 43 43 LYS H H 1 8.561 0.001 . 1 . 157 . . 43 LYS H . 25228 1 240 . 1 1 43 43 LYS HA H 1 4.407 . . 1 . 691 . . 43 LYS HA . 25228 1 241 . 1 1 43 43 LYS C C 13 176.935 . . 1 . 257 . . 43 LYS C . 25228 1 242 . 1 1 43 43 LYS CA C 13 56.515 0.013 . 1 . 525 . . 43 LYS CA . 25228 1 243 . 1 1 43 43 LYS CB C 13 33.079 0.015 . 1 . 524 . . 43 LYS CB . 25228 1 244 . 1 1 43 43 LYS N N 15 123.587 0.015 . 1 . 158 . . 43 LYS N . 25228 1 245 . 1 1 44 44 THR H H 1 8.260 0.001 . 1 . 209 . . 44 THR H . 25228 1 246 . 1 1 44 44 THR HA H 1 4.301 . . 1 . 774 . . 44 THR HA . 25228 1 247 . 1 1 44 44 THR C C 13 174.649 0.002 . 1 . 258 . . 44 THR C . 25228 1 248 . 1 1 44 44 THR CA C 13 61.999 0.013 . 1 . 582 . . 44 THR CA . 25228 1 249 . 1 1 44 44 THR CB C 13 69.981 0.002 . 1 . 581 . . 44 THR CB . 25228 1 250 . 1 1 44 44 THR N N 15 115.636 0.021 . 1 . 210 . . 44 THR N . 25228 1 251 . 1 1 45 45 LYS H H 1 8.507 0.001 . 1 . 207 . . 45 LYS H . 25228 1 252 . 1 1 45 45 LYS C C 13 176.589 . . 1 . 345 . . 45 LYS C . 25228 1 253 . 1 1 45 45 LYS CA C 13 56.564 . . 1 . 537 . . 45 LYS CA . 25228 1 254 . 1 1 45 45 LYS CB C 13 32.958 . . 1 . 536 . . 45 LYS CB . 25228 1 255 . 1 1 45 45 LYS N N 15 123.954 0.024 . 1 . 208 . . 45 LYS N . 25228 1 256 . 1 1 46 46 GLU HA H 1 4.232 . . 1 . 809 . . 46 GLU HA . 25228 1 257 . 1 1 46 46 GLU C C 13 177.010 . . 1 . 660 . . 46 GLU C . 25228 1 258 . 1 1 46 46 GLU CA C 13 56.970 . . 1 . 668 . . 46 GLU CA . 25228 1 259 . 1 1 46 46 GLU CB C 13 30.215 . . 1 . 664 . . 46 GLU CB . 25228 1 260 . 1 1 47 47 GLY H H 1 8.506 0.002 . 1 . 646 . . 47 GLY H . 25228 1 261 . 1 1 47 47 GLY HA2 H 1 3.924 . . 1 . 712 . . 47 GLY HA2 . 25228 1 262 . 1 1 47 47 GLY C C 13 173.935 0.005 . 1 . 275 . . 47 GLY C . 25228 1 263 . 1 1 47 47 GLY CA C 13 45.293 0.003 . 1 . 445 . . 47 GLY CA . 25228 1 264 . 1 1 47 47 GLY N N 15 110.221 0.013 . 1 . 647 . . 47 GLY N . 25228 1 265 . 1 1 48 48 VAL H H 1 8.000 0.001 . 1 . 63 . . 48 VAL H . 25228 1 266 . 1 1 48 48 VAL HA H 1 4.103 . . 1 . 791 . . 48 VAL HA . 25228 1 267 . 1 1 48 48 VAL C C 13 176.335 0.004 . 1 . 276 . . 48 VAL C . 25228 1 268 . 1 1 48 48 VAL CA C 13 62.379 . . 1 . 446 . . 48 VAL CA . 25228 1 269 . 1 1 48 48 VAL CB C 13 32.829 0.003 . 1 . 444 . . 48 VAL CB . 25228 1 270 . 1 1 48 48 VAL N N 15 120.137 0.013 . 1 . 64 . . 48 VAL N . 25228 1 271 . 1 1 49 49 VAL H H 1 8.455 0.001 . 1 . 217 . . 49 VAL H . 25228 1 272 . 1 1 49 49 VAL HA H 1 4.071 . . 1 . 789 . . 49 VAL HA . 25228 1 273 . 1 1 49 49 VAL C C 13 176.129 0.001 . 1 . 361 . . 49 VAL C . 25228 1 274 . 1 1 49 49 VAL CA C 13 62.424 0.036 . 1 . 559 . . 49 VAL CA . 25228 1 275 . 1 1 49 49 VAL CB C 13 32.702 0.028 . 1 . 558 . . 49 VAL CB . 25228 1 276 . 1 1 49 49 VAL N N 15 125.894 0.034 . 1 . 218 . . 49 VAL N . 25228 1 277 . 1 1 50 50 GLN H H 1 8.669 0.001 . 1 . 213 . . 50 GLN H . 25228 1 278 . 1 1 50 50 GLN HA H 1 4.301 . . 1 . 684 . . 50 GLN HA . 25228 1 279 . 1 1 50 50 GLN C C 13 176.332 0.001 . 1 . 359 . . 50 GLN C . 25228 1 280 . 1 1 50 50 GLN CA C 13 55.910 0.008 . 1 . 386 . . 50 GLN CA . 25228 1 281 . 1 1 50 50 GLN CB C 13 29.609 0.016 . 1 . 385 . . 50 GLN CB . 25228 1 282 . 1 1 50 50 GLN N N 15 125.619 0.018 . 1 . 214 . . 50 GLN N . 25228 1 283 . 1 1 51 51 GLY H H 1 8.560 0.001 . 1 . 183 . . 51 GLY H . 25228 1 284 . 1 1 51 51 GLY HA2 H 1 3.916 . . 2 . 704 . . 51 GLY HA2 . 25228 1 285 . 1 1 51 51 GLY HA3 H 1 3.964 . . 2 . 705 . . 51 GLY HA3 . 25228 1 286 . 1 1 51 51 GLY C C 13 173.880 0.004 . 1 . 250 . . 51 GLY C . 25228 1 287 . 1 1 51 51 GLY CA C 13 45.249 0.03 . 1 . 431 . . 51 GLY CA . 25228 1 288 . 1 1 51 51 GLY N N 15 110.955 0.033 . 1 . 184 . . 51 GLY N . 25228 1 289 . 1 1 52 52 VAL H H 1 8.099 0.002 . 1 . 83 . . 52 VAL H . 25228 1 290 . 1 1 52 52 VAL HA H 1 4.111 . . 1 . 801 . . 52 VAL HA . 25228 1 291 . 1 1 52 52 VAL C C 13 176.018 0.006 . 1 . 269 . . 52 VAL C . 25228 1 292 . 1 1 52 52 VAL CA C 13 62.131 0.009 . 1 . 430 . . 52 VAL CA . 25228 1 293 . 1 1 52 52 VAL CB C 13 32.930 0.012 . 1 . 429 . . 52 VAL CB . 25228 1 294 . 1 1 52 52 VAL N N 15 119.674 0.045 . 1 . 84 . . 52 VAL N . 25228 1 295 . 1 1 53 53 ALA H H 1 8.559 0.001 . 1 . 235 . . 53 ALA H . 25228 1 296 . 1 1 53 53 ALA HA H 1 4.379 . . 1 . 689 . . 53 ALA HA . 25228 1 297 . 1 1 53 53 ALA C C 13 177.912 0.005 . 1 . 372 . . 53 ALA C . 25228 1 298 . 1 1 53 53 ALA CA C 13 52.475 0.007 . 1 . 576 . . 53 ALA CA . 25228 1 299 . 1 1 53 53 ALA CB C 13 19.287 0.001 . 1 . 575 . . 53 ALA CB . 25228 1 300 . 1 1 53 53 ALA N N 15 128.334 0.014 . 1 . 236 . . 53 ALA N . 25228 1 301 . 1 1 54 54 THR H H 1 8.301 0.001 . 1 . 179 . . 54 THR H . 25228 1 302 . 1 1 54 54 THR HA H 1 4.296 . . 1 . 761 . . 54 THR HA . 25228 1 303 . 1 1 54 54 THR C C 13 174.591 0.001 . 1 . 255 . . 54 THR C . 25228 1 304 . 1 1 54 54 THR CA C 13 61.975 0.016 . 1 . 391 . . 54 THR CA . 25228 1 305 . 1 1 54 54 THR CB C 13 70.014 0.011 . 1 . 392 . . 54 THR CB . 25228 1 306 . 1 1 54 54 THR N N 15 115.069 0.018 . 1 . 180 . . 54 THR N . 25228 1 307 . 1 1 55 55 VAL H H 1 8.319 0.001 . 1 . 15 . . 55 VAL H . 25228 1 308 . 1 1 55 55 VAL HA H 1 4.070 . . 1 . 799 . . 55 VAL HA . 25228 1 309 . 1 1 55 55 VAL C C 13 175.926 0.0 . 1 . 332 . . 55 VAL C . 25228 1 310 . 1 1 55 55 VAL CA C 13 62.348 0.016 . 1 . 618 . . 55 VAL CA . 25228 1 311 . 1 1 55 55 VAL CB C 13 32.853 0.011 . 1 . 617 . . 55 VAL CB . 25228 1 312 . 1 1 55 55 VAL N N 15 123.328 0.017 . 1 . 16 . . 55 VAL N . 25228 1 313 . 1 1 56 56 ALA H H 1 8.498 0.002 . 1 . 87 . . 56 ALA H . 25228 1 314 . 1 1 56 56 ALA HA H 1 4.270 . . 1 . 732 . . 56 ALA HA . 25228 1 315 . 1 1 56 56 ALA C C 13 177.846 . . 1 . 369 . . 56 ALA C . 25228 1 316 . 1 1 56 56 ALA CA C 13 52.571 0.02 . 1 . 574 . . 56 ALA CA . 25228 1 317 . 1 1 56 56 ALA CB C 13 19.234 0.005 . 1 . 573 . . 56 ALA CB . 25228 1 318 . 1 1 56 56 ALA N N 15 128.295 0.011 . 1 . 88 . . 56 ALA N . 25228 1 319 . 1 1 57 57 GLU H H 1 8.447 0.001 . 1 . 89 . . 57 GLU H . 25228 1 320 . 1 1 57 57 GLU HA H 1 4.199 . . 1 . 756 . . 57 GLU HA . 25228 1 321 . 1 1 57 57 GLU C C 13 176.764 0.01 . 1 . 298 . . 57 GLU C . 25228 1 322 . 1 1 57 57 GLU CA C 13 56.691 0.03 . 1 . 490 . . 57 GLU CA . 25228 1 323 . 1 1 57 57 GLU CB C 13 30.377 0.011 . 1 . 489 . . 57 GLU CB . 25228 1 324 . 1 1 57 57 GLU N N 15 121.034 0.015 . 1 . 90 . . 57 GLU N . 25228 1 325 . 1 1 58 58 LYS H H 1 8.506 0.001 . 1 . 65 . . 58 LYS H . 25228 1 326 . 1 1 58 58 LYS HA H 1 4.339 . . 1 . 695 . . 58 LYS HA . 25228 1 327 . 1 1 58 58 LYS C C 13 177.028 0.002 . 1 . 597 . . 58 LYS C . 25228 1 328 . 1 1 58 58 LYS CA C 13 56.559 0.021 . 1 . 399 . . 58 LYS CA . 25228 1 329 . 1 1 58 58 LYS CB C 13 33.054 0.011 . 1 . 400 . . 58 LYS CB . 25228 1 330 . 1 1 58 58 LYS N N 15 123.003 0.031 . 1 . 66 . . 58 LYS N . 25228 1 331 . 1 1 59 59 THR H H 1 8.292 0.001 . 1 . 189 . . 59 THR H . 25228 1 332 . 1 1 59 59 THR HA H 1 4.266 . . 1 . 773 . . 59 THR HA . 25228 1 333 . 1 1 59 59 THR C C 13 174.677 0.001 . 1 . 260 . . 59 THR C . 25228 1 334 . 1 1 59 59 THR CA C 13 62.223 0.012 . 1 . 397 . . 59 THR CA . 25228 1 335 . 1 1 59 59 THR CB C 13 69.865 0.011 . 1 . 398 . . 59 THR CB . 25228 1 336 . 1 1 59 59 THR N N 15 116.191 0.021 . 1 . 190 . . 59 THR N . 25228 1 337 . 1 1 60 60 LYS H H 1 8.460 0.001 . 1 . 93 . . 60 LYS H . 25228 1 338 . 1 1 60 60 LYS HA H 1 4.269 . . 1 . 811 . . 60 LYS HA . 25228 1 339 . 1 1 60 60 LYS C C 13 176.756 0.0 . 1 . 343 . . 60 LYS C . 25228 1 340 . 1 1 60 60 LYS CA C 13 56.673 . . 1 . 533 . . 60 LYS CA . 25228 1 341 . 1 1 60 60 LYS CB C 13 32.998 0.01 . 1 . 532 . . 60 LYS CB . 25228 1 342 . 1 1 60 60 LYS N N 15 123.881 0.023 . 1 . 94 . . 60 LYS N . 25228 1 343 . 1 1 61 61 GLU H H 1 8.504 0.001 . 1 . 651 . . 61 GLU H . 25228 1 344 . 1 1 61 61 GLU HA H 1 4.210 . . 1 . 742 . . 61 GLU HA . 25228 1 345 . 1 1 61 61 GLU C C 13 176.482 0.007 . 1 . 322 . . 61 GLU C . 25228 1 346 . 1 1 61 61 GLU CA C 13 56.839 . . 1 . 613 . . 61 GLU CA . 25228 1 347 . 1 1 61 61 GLU CB C 13 30.210 . . 1 . 614 . . 61 GLU CB . 25228 1 348 . 1 1 61 61 GLU N N 15 122.303 0.023 . 1 . 652 . . 61 GLU N . 25228 1 349 . 1 1 62 62 GLN H H 1 8.495 0.001 . 1 . 51 . . 62 GLN H . 25228 1 350 . 1 1 62 62 GLN HA H 1 4.326 . . 1 . 746 . . 62 GLN HA . 25228 1 351 . 1 1 62 62 GLN C C 13 176.033 0.005 . 1 . 323 . . 62 GLN C . 25228 1 352 . 1 1 62 62 GLN CA C 13 55.833 0.026 . 1 . 589 . . 62 GLN CA . 25228 1 353 . 1 1 62 62 GLN CB C 13 29.545 0.019 . 1 . 588 . . 62 GLN CB . 25228 1 354 . 1 1 62 62 GLN N N 15 121.977 0.03 . 1 . 52 . . 62 GLN N . 25228 1 355 . 1 1 63 63 VAL H H 1 8.365 0.001 . 1 . 211 . . 63 VAL H . 25228 1 356 . 1 1 63 63 VAL HA H 1 4.168 . . 1 . 699 . . 63 VAL HA . 25228 1 357 . 1 1 63 63 VAL C C 13 176.415 0.001 . 1 . 315 . . 63 VAL C . 25228 1 358 . 1 1 63 63 VAL CA C 13 62.430 0.055 . 1 . 413 . . 63 VAL CA . 25228 1 359 . 1 1 63 63 VAL CB C 13 32.794 0.038 . 1 . 416 . . 63 VAL CB . 25228 1 360 . 1 1 63 63 VAL N N 15 122.160 0.021 . 1 . 212 . . 63 VAL N . 25228 1 361 . 1 1 64 64 THR H H 1 8.375 0.001 . 1 . 169 . . 64 THR H . 25228 1 362 . 1 1 64 64 THR HA H 1 4.348 . . 1 . 743 . . 64 THR HA . 25228 1 363 . 1 1 64 64 THR C C 13 174.101 0.009 . 1 . 585 . . 64 THR C . 25228 1 364 . 1 1 64 64 THR CA C 13 61.935 0.056 . 1 . 414 . . 64 THR CA . 25228 1 365 . 1 1 64 64 THR CB C 13 69.947 0.008 . 1 . 415 . . 64 THR CB . 25228 1 366 . 1 1 64 64 THR N N 15 118.302 0.021 . 1 . 170 . . 64 THR N . 25228 1 367 . 1 1 65 65 ASN H H 1 8.594 0.001 . 1 . 103 . . 65 ASN H . 25228 1 368 . 1 1 65 65 ASN HA H 1 4.755 . . 1 . 730 . . 65 ASN HA . 25228 1 369 . 1 1 65 65 ASN C C 13 175.306 . . 1 . 295 . . 65 ASN C . 25228 1 370 . 1 1 65 65 ASN CA C 13 53.181 0.035 . 1 . 483 . . 65 ASN CA . 25228 1 371 . 1 1 65 65 ASN CB C 13 38.939 0.013 . 1 . 482 . . 65 ASN CB . 25228 1 372 . 1 1 65 65 ASN N N 15 121.958 0.016 . 1 . 104 . . 65 ASN N . 25228 1 373 . 1 1 66 66 VAL H H 1 8.314 0.001 . 1 . 233 . . 66 VAL H . 25228 1 374 . 1 1 66 66 VAL HA H 1 4.101 . . 1 . 687 . . 66 VAL HA . 25228 1 375 . 1 1 66 66 VAL C C 13 176.936 0.002 . 1 . 296 . . 66 VAL C . 25228 1 376 . 1 1 66 66 VAL CA C 13 62.721 0.017 . 1 . 484 . . 66 VAL CA . 25228 1 377 . 1 1 66 66 VAL CB C 13 32.500 0.01 . 1 . 481 . . 66 VAL CB . 25228 1 378 . 1 1 66 66 VAL N N 15 120.881 0.022 . 1 . 234 . . 66 VAL N . 25228 1 379 . 1 1 67 67 GLY H H 1 8.629 0.001 . 1 . 55 . . 67 GLY H . 25228 1 380 . 1 1 67 67 GLY HA2 H 1 3.938 . . 2 . 677 . . 67 GLY HA2 . 25228 1 381 . 1 1 67 67 GLY HA3 H 1 3.963 . . 2 . 678 . . 67 GLY HA3 . 25228 1 382 . 1 1 67 67 GLY C C 13 174.713 0.006 . 1 . 253 . . 67 GLY C . 25228 1 383 . 1 1 67 67 GLY CA C 13 45.357 0.008 . 1 . 389 . . 67 GLY CA . 25228 1 384 . 1 1 67 67 GLY N N 15 112.768 0.023 . 1 . 56 . . 67 GLY N . 25228 1 385 . 1 1 68 68 GLY H H 1 8.299 0.001 . 1 . 49 . . 68 GLY H . 25228 1 386 . 1 1 68 68 GLY HA2 H 1 3.929 . . 1 . 771 . . 68 GLY HA2 . 25228 1 387 . 1 1 68 68 GLY C C 13 173.772 0.002 . 1 . 244 . . 68 GLY C . 25228 1 388 . 1 1 68 68 GLY CA C 13 45.073 0.02 . 1 . 377 . . 68 GLY CA . 25228 1 389 . 1 1 68 68 GLY N N 15 108.928 0.013 . 1 . 50 . . 68 GLY N . 25228 1 390 . 1 1 69 69 ALA H H 1 8.232 0.001 . 1 . 111 . . 69 ALA H . 25228 1 391 . 1 1 69 69 ALA HA H 1 4.328 . . 1 . 725 . . 69 ALA HA . 25228 1 392 . 1 1 69 69 ALA C C 13 177.725 0.003 . 1 . 341 . . 69 ALA C . 25228 1 393 . 1 1 69 69 ALA CA C 13 52.341 0.003 . 1 . 531 . . 69 ALA CA . 25228 1 394 . 1 1 69 69 ALA CB C 13 19.341 0.01 . 1 . 530 . . 69 ALA CB . 25228 1 395 . 1 1 69 69 ALA N N 15 123.846 0.031 . 1 . 112 . . 69 ALA N . 25228 1 396 . 1 1 70 70 VAL H H 1 8.291 0.001 . 1 . 67 . . 70 VAL H . 25228 1 397 . 1 1 70 70 VAL HA H 1 4.071 . . 1 . 790 . . 70 VAL HA . 25228 1 398 . 1 1 70 70 VAL C C 13 176.399 0.0 . 1 . 292 . . 70 VAL C . 25228 1 399 . 1 1 70 70 VAL CA C 13 62.469 0.004 . 1 . 478 . . 70 VAL CA . 25228 1 400 . 1 1 70 70 VAL CB C 13 32.720 0.018 . 1 . 477 . . 70 VAL CB . 25228 1 401 . 1 1 70 70 VAL N N 15 120.675 0.02 . 1 . 68 . . 70 VAL N . 25228 1 402 . 1 1 71 71 VAL H H 1 8.469 0.001 . 1 . 25 . . 71 VAL H . 25228 1 403 . 1 1 71 71 VAL HA H 1 4.199 . . 1 . 700 . . 71 VAL HA . 25228 1 404 . 1 1 71 71 VAL C C 13 176.344 0.005 . 1 . 360 . . 71 VAL C . 25228 1 405 . 1 1 71 71 VAL CA C 13 62.208 0.005 . 1 . 628 . . 71 VAL CA . 25228 1 406 . 1 1 71 71 VAL CB C 13 32.826 0.008 . 1 . 418 . . 71 VAL CB . 25228 1 407 . 1 1 71 71 VAL N N 15 125.678 0.021 . 1 . 26 . . 71 VAL N . 25228 1 408 . 1 1 72 72 THR H H 1 8.385 0.001 . 1 . 175 . . 72 THR H . 25228 1 409 . 1 1 72 72 THR HA H 1 4.346 . . 1 . 685 . . 72 THR HA . 25228 1 410 . 1 1 72 72 THR C C 13 174.957 0.003 . 1 . 264 . . 72 THR C . 25228 1 411 . 1 1 72 72 THR CA C 13 61.964 0.012 . 1 . 417 . . 72 THR CA . 25228 1 412 . 1 1 72 72 THR CB C 13 69.937 0.018 . 1 . 419 . . 72 THR CB . 25228 1 413 . 1 1 72 72 THR N N 15 118.891 0.028 . 1 . 176 . . 72 THR N . 25228 1 414 . 1 1 73 73 GLY H H 1 8.510 0.001 . 1 . 237 . . 73 GLY H . 25228 1 415 . 1 1 73 73 GLY HA2 H 1 3.973 . . 1 . 706 . . 73 GLY HA2 . 25228 1 416 . 1 1 73 73 GLY C C 13 174.063 0.008 . 1 . 251 . . 73 GLY C . 25228 1 417 . 1 1 73 73 GLY CA C 13 45.285 0.005 . 1 . 387 . . 73 GLY CA . 25228 1 418 . 1 1 73 73 GLY N N 15 111.491 0.017 . 1 . 238 . . 73 GLY N . 25228 1 419 . 1 1 74 74 VAL H H 1 8.153 0.001 . 1 . 139 . . 74 VAL H . 25228 1 420 . 1 1 74 74 VAL HA H 1 4.166 . . 1 . 701 . . 74 VAL HA . 25228 1 421 . 1 1 74 74 VAL C C 13 176.629 0.008 . 1 . 270 . . 74 VAL C . 25228 1 422 . 1 1 74 74 VAL CA C 13 62.414 0.027 . 1 . 433 . . 74 VAL CA . 25228 1 423 . 1 1 74 74 VAL CB C 13 32.884 0.003 . 1 . 420 . . 74 VAL CB . 25228 1 424 . 1 1 74 74 VAL N N 15 119.674 0.015 . 1 . 140 . . 74 VAL N . 25228 1 425 . 1 1 75 75 THR H H 1 8.376 0.001 . 1 . 155 . . 75 THR H . 25228 1 426 . 1 1 75 75 THR HA H 1 4.292 . . 1 . 797 . . 75 THR HA . 25228 1 427 . 1 1 75 75 THR C C 13 174.129 0.009 . 1 . 268 . . 75 THR C . 25228 1 428 . 1 1 75 75 THR CA C 13 62.048 0.041 . 1 . 421 . . 75 THR CA . 25228 1 429 . 1 1 75 75 THR CB C 13 69.818 0.021 . 1 . 422 . . 75 THR CB . 25228 1 430 . 1 1 75 75 THR N N 15 119.228 0.009 . 1 . 156 . . 75 THR N . 25228 1 431 . 1 1 76 76 ALA H H 1 8.446 0.001 . 1 . 199 . . 76 ALA H . 25228 1 432 . 1 1 76 76 ALA HA H 1 4.323 . . 1 . 716 . . 76 ALA HA . 25228 1 433 . 1 1 76 76 ALA C C 13 177.635 0.001 . 1 . 367 . . 76 ALA C . 25228 1 434 . 1 1 76 76 ALA CA C 13 52.492 0.007 . 1 . 570 . . 76 ALA CA . 25228 1 435 . 1 1 76 76 ALA CB C 13 19.287 0.002 . 1 . 569 . . 76 ALA CB . 25228 1 436 . 1 1 76 76 ALA N N 15 127.580 0.015 . 1 . 200 . . 76 ALA N . 25228 1 437 . 1 1 77 77 VAL H H 1 8.222 0.001 . 1 . 159 . . 77 VAL H . 25228 1 438 . 1 1 77 77 VAL HA H 1 4.025 . . 1 . 800 . . 77 VAL HA . 25228 1 439 . 1 1 77 77 VAL C C 13 176.084 0.002 . 1 . 280 . . 77 VAL C . 25228 1 440 . 1 1 77 77 VAL CA C 13 62.270 0.011 . 1 . 592 . . 77 VAL CA . 25228 1 441 . 1 1 77 77 VAL CB C 13 32.850 0.011 . 1 . 593 . . 77 VAL CB . 25228 1 442 . 1 1 77 77 VAL N N 15 120.288 0.017 . 1 . 160 . . 77 VAL N . 25228 1 443 . 1 1 78 78 ALA H H 1 8.483 0.001 . 1 . 9 . . 78 ALA H . 25228 1 444 . 1 1 78 78 ALA HA H 1 4.276 . . 1 . 721 . . 78 ALA HA . 25228 1 445 . 1 1 78 78 ALA C C 13 177.704 0.007 . 1 . 371 . . 78 ALA C . 25228 1 446 . 1 1 78 78 ALA CA C 13 52.576 0.012 . 1 . 579 . . 78 ALA CA . 25228 1 447 . 1 1 78 78 ALA CB C 13 19.101 0.053 . 1 . 468 . . 78 ALA CB . 25228 1 448 . 1 1 78 78 ALA N N 15 128.351 0.007 . 1 . 10 . . 78 ALA N . 25228 1 449 . 1 1 79 79 GLN H H 1 8.465 0.0 . 1 . 113 . . 79 GLN H . 25228 1 450 . 1 1 79 79 GLN HA H 1 4.267 . . 1 . 762 . . 79 GLN HA . 25228 1 451 . 1 1 79 79 GLN C C 13 176.007 0.002 . 1 . 287 . . 79 GLN C . 25228 1 452 . 1 1 79 79 GLN CA C 13 55.791 0.047 . 1 . 466 . . 79 GLN CA . 25228 1 453 . 1 1 79 79 GLN CB C 13 29.647 0.021 . 1 . 467 . . 79 GLN CB . 25228 1 454 . 1 1 79 79 GLN N N 15 120.491 0.022 . 1 . 114 . . 79 GLN N . 25228 1 455 . 1 1 80 80 LYS H H 1 8.508 0.001 . 1 . 97 . . 80 LYS H . 25228 1 456 . 1 1 80 80 LYS HA H 1 4.349 . . 1 . 698 . . 80 LYS HA . 25228 1 457 . 1 1 80 80 LYS C C 13 176.760 0.006 . 1 . 333 . . 80 LYS C . 25228 1 458 . 1 1 80 80 LYS CA C 13 56.462 0.05 . 1 . 409 . . 80 LYS CA . 25228 1 459 . 1 1 80 80 LYS CB C 13 33.159 0.034 . 1 . 410 . . 80 LYS CB . 25228 1 460 . 1 1 80 80 LYS N N 15 123.437 0.027 . 1 . 98 . . 80 LYS N . 25228 1 461 . 1 1 81 81 THR H H 1 8.365 0.001 . 1 . 115 . . 81 THR H . 25228 1 462 . 1 1 81 81 THR HA H 1 4.326 . . 1 . 759 . . 81 THR HA . 25228 1 463 . 1 1 81 81 THR C C 13 174.488 0.001 . 1 . 263 . . 81 THR C . 25228 1 464 . 1 1 81 81 THR CA C 13 62.000 0.024 . 1 . 407 . . 81 THR CA . 25228 1 465 . 1 1 81 81 THR CB C 13 69.970 0.002 . 1 . 408 . . 81 THR CB . 25228 1 466 . 1 1 81 81 THR N N 15 117.092 0.021 . 1 . 116 . . 81 THR N . 25228 1 467 . 1 1 82 82 VAL H H 1 8.378 0.001 . 1 . 149 . . 82 VAL H . 25228 1 468 . 1 1 82 82 VAL HA H 1 4.100 . . 1 . 787 . . 82 VAL HA . 25228 1 469 . 1 1 82 82 VAL C C 13 176.216 0.001 . 1 . 330 . . 82 VAL C . 25228 1 470 . 1 1 82 82 VAL CA C 13 62.335 0.048 . 1 . 616 . . 82 VAL CA . 25228 1 471 . 1 1 82 82 VAL CB C 13 32.840 0.002 . 1 . 615 . . 82 VAL CB . 25228 1 472 . 1 1 82 82 VAL N N 15 123.284 0.015 . 1 . 150 . . 82 VAL N . 25228 1 473 . 1 1 83 83 GLU H H 1 8.646 0.001 . 1 . 187 . . 83 GLU H . 25228 1 474 . 1 1 83 83 GLU HA H 1 4.251 . . 1 . 683 . . 83 GLU HA . 25228 1 475 . 1 1 83 83 GLU C C 13 177.086 0.001 . 1 . 357 . . 83 GLU C . 25228 1 476 . 1 1 83 83 GLU CA C 13 56.885 0.025 . 1 . 555 . . 83 GLU CA . 25228 1 477 . 1 1 83 83 GLU CB C 13 30.264 0.004 . 1 . 554 . . 83 GLU CB . 25228 1 478 . 1 1 83 83 GLU N N 15 125.499 0.012 . 1 . 188 . . 83 GLU N . 25228 1 479 . 1 1 84 84 GLY H H 1 8.590 0.001 . 1 . 123 . . 84 GLY H . 25228 1 480 . 1 1 84 84 GLY HA2 H 1 3.926 . . 2 . 776 . . 84 GLY HA2 . 25228 1 481 . 1 1 84 84 GLY HA3 H 1 3.956 . . 2 . 777 . . 84 GLY HA3 . 25228 1 482 . 1 1 84 84 GLY C C 13 174.207 0.007 . 1 . 249 . . 84 GLY C . 25228 1 483 . 1 1 84 84 GLY CA C 13 45.305 0.009 . 1 . 382 . . 84 GLY CA . 25228 1 484 . 1 1 84 84 GLY N N 15 110.876 0.015 . 1 . 124 . . 84 GLY N . 25228 1 485 . 1 1 85 85 ALA H H 1 8.330 0.002 . 1 . 129 . . 85 ALA H . 25228 1 486 . 1 1 85 85 ALA HA H 1 4.292 . . 1 . 676 . . 85 ALA HA . 25228 1 487 . 1 1 85 85 ALA C C 13 178.568 0.002 . 1 . 347 . . 85 ALA C . 25228 1 488 . 1 1 85 85 ALA CA C 13 52.965 0.015 . 1 . 539 . . 85 ALA CA . 25228 1 489 . 1 1 85 85 ALA CB C 13 19.204 0.01 . 1 . 538 . . 85 ALA CB . 25228 1 490 . 1 1 85 85 ALA N N 15 124.043 0.016 . 1 . 130 . . 85 ALA N . 25228 1 491 . 1 1 86 86 GLY H H 1 8.568 0.001 . 1 . 43 . . 86 GLY H . 25228 1 492 . 1 1 86 86 GLY HA2 H 1 3.949 . . 1 . 694 . . 86 GLY HA2 . 25228 1 493 . 1 1 86 86 GLY C C 13 174.352 0.005 . 1 . 243 . . 86 GLY C . 25228 1 494 . 1 1 86 86 GLY CA C 13 45.313 0.008 . 1 . 378 . . 86 GLY CA . 25228 1 495 . 1 1 86 86 GLY N N 15 108.310 0.02 . 1 . 44 . . 86 GLY N . 25228 1 496 . 1 1 87 87 SER H H 1 8.217 0.001 . 1 . 81 . . 87 SER H . 25228 1 497 . 1 1 87 87 SER HA H 1 4.447 . . 1 . 754 . . 87 SER HA . 25228 1 498 . 1 1 87 87 SER C C 13 174.773 . . 1 . 325 . . 87 SER C . 25228 1 499 . 1 1 87 87 SER CA C 13 58.464 0.01 . 1 . 411 . . 87 SER CA . 25228 1 500 . 1 1 87 87 SER CB C 13 63.892 0.012 . 1 . 412 . . 87 SER CB . 25228 1 501 . 1 1 87 87 SER N N 15 115.815 0.015 . 1 . 82 . . 87 SER N . 25228 1 502 . 1 1 88 88 ILE H H 1 8.265 0.001 . 1 . 171 . . 88 ILE H . 25228 1 503 . 1 1 88 88 ILE HA H 1 4.144 . . 1 . 798 . . 88 ILE HA . 25228 1 504 . 1 1 88 88 ILE C C 13 176.354 0.002 . 1 . 326 . . 88 ILE C . 25228 1 505 . 1 1 88 88 ILE CA C 13 61.386 0.015 . 1 . 515 . . 88 ILE CA . 25228 1 506 . 1 1 88 88 ILE CB C 13 38.641 0.04 . 1 . 514 . . 88 ILE CB . 25228 1 507 . 1 1 88 88 ILE N N 15 122.932 0.013 . 1 . 172 . . 88 ILE N . 25228 1 508 . 1 1 89 89 ALA H H 1 8.422 0.001 . 1 . 99 . . 89 ALA H . 25228 1 509 . 1 1 89 89 ALA HA H 1 4.229 . . 1 . 763 . . 89 ALA HA . 25228 1 510 . 1 1 89 89 ALA C C 13 177.640 0.003 . 1 . 368 . . 89 ALA C . 25228 1 511 . 1 1 89 89 ALA CA C 13 52.649 0.001 . 1 . 572 . . 89 ALA CA . 25228 1 512 . 1 1 89 89 ALA CB C 13 19.054 0.0 . 1 . 571 . . 89 ALA CB . 25228 1 513 . 1 1 89 89 ALA N N 15 128.204 0.014 . 1 . 100 . . 89 ALA N . 25228 1 514 . 1 1 90 90 ALA H H 1 8.283 0.001 . 1 . 77 . . 90 ALA H . 25228 1 515 . 1 1 90 90 ALA HA H 1 4.229 . . 1 . 764 . . 90 ALA HA . 25228 1 516 . 1 1 90 90 ALA C C 13 177.798 0.009 . 1 . 334 . . 90 ALA C . 25228 1 517 . 1 1 90 90 ALA CA C 13 52.481 0.044 . 1 . 620 . . 90 ALA CA . 25228 1 518 . 1 1 90 90 ALA CB C 13 19.184 0.024 . 1 . 619 . . 90 ALA CB . 25228 1 519 . 1 1 90 90 ALA N N 15 123.462 0.016 . 1 . 78 . . 90 ALA N . 25228 1 520 . 1 1 91 91 ALA H H 1 8.359 0.001 . 1 . 69 . . 91 ALA H . 25228 1 521 . 1 1 91 91 ALA HA H 1 4.332 . . 1 . 688 . . 91 ALA HA . 25228 1 522 . 1 1 91 91 ALA C C 13 178.205 0.003 . 1 . 335 . . 91 ALA C . 25228 1 523 . 1 1 91 91 ALA CA C 13 52.689 0.054 . 1 . 522 . . 91 ALA CA . 25228 1 524 . 1 1 91 91 ALA CB C 13 19.115 0.016 . 1 . 523 . . 91 ALA CB . 25228 1 525 . 1 1 91 91 ALA N N 15 123.554 0.019 . 1 . 70 . . 91 ALA N . 25228 1 526 . 1 1 92 92 THR H H 1 8.171 0.001 . 1 . 19 . . 92 THR H . 25228 1 527 . 1 1 92 92 THR HA H 1 4.282 . . 1 . 682 . . 92 THR HA . 25228 1 528 . 1 1 92 92 THR C C 13 175.227 0.009 . 1 . 254 . . 92 THR C . 25228 1 529 . 1 1 92 92 THR CA C 13 62.138 0.018 . 1 . 390 . . 92 THR CA . 25228 1 530 . 1 1 92 92 THR CB C 13 69.912 0.013 . 1 . 580 . . 92 THR CB . 25228 1 531 . 1 1 92 92 THR N N 15 112.798 0.017 . 1 . 20 . . 92 THR N . 25228 1 532 . 1 1 93 93 GLY H H 1 8.377 0.001 . 1 . 73 . . 93 GLY H . 25228 1 533 . 1 1 93 93 GLY HA2 H 1 3.892 . . 1 . 720 . . 93 GLY HA2 . 25228 1 534 . 1 1 93 93 GLY C C 13 173.648 0.005 . 1 . 248 . . 93 GLY C . 25228 1 535 . 1 1 93 93 GLY CA C 13 45.206 0.027 . 1 . 381 . . 93 GLY CA . 25228 1 536 . 1 1 93 93 GLY N N 15 110.834 0.015 . 1 . 74 . . 93 GLY N . 25228 1 537 . 1 1 94 94 PHE H H 1 8.154 0.001 . 1 . 85 . . 94 PHE H . 25228 1 538 . 1 1 94 94 PHE HA H 1 4.588 . . 1 . 779 . . 94 PHE HA . 25228 1 539 . 1 1 94 94 PHE C C 13 175.530 0.004 . 1 . 286 . . 94 PHE C . 25228 1 540 . 1 1 94 94 PHE CA C 13 57.914 0.023 . 1 . 465 . . 94 PHE CA . 25228 1 541 . 1 1 94 94 PHE CB C 13 39.721 0.008 . 1 . 464 . . 94 PHE CB . 25228 1 542 . 1 1 94 94 PHE N N 15 120.457 0.025 . 1 . 86 . . 94 PHE N . 25228 1 543 . 1 1 95 95 VAL H H 1 8.123 0.001 . 1 . 17 . . 95 VAL H . 25228 1 544 . 1 1 95 95 VAL HA H 1 3.985 . . 1 . 794 . . 95 VAL HA . 25228 1 545 . 1 1 95 95 VAL C C 13 175.457 0.01 . 1 . 349 . . 95 VAL C . 25228 1 546 . 1 1 95 95 VAL CA C 13 62.036 0.018 . 1 . 543 . . 95 VAL CA . 25228 1 547 . 1 1 95 95 VAL CB C 13 33.109 0.017 . 1 . 542 . . 95 VAL CB . 25228 1 548 . 1 1 95 95 VAL N N 15 124.047 0.02 . 1 . 18 . . 95 VAL N . 25228 1 549 . 1 1 96 96 LYS H H 1 8.463 0.001 . 1 . 39 . . 96 LYS H . 25228 1 550 . 1 1 96 96 LYS HA H 1 4.197 . . 1 . 772 . . 96 LYS HA . 25228 1 551 . 1 1 96 96 LYS C C 13 176.577 0.01 . 1 . 364 . . 96 LYS C . 25228 1 552 . 1 1 96 96 LYS CA C 13 56.505 0.007 . 1 . 565 . . 96 LYS CA . 25228 1 553 . 1 1 96 96 LYS CB C 13 33.059 . . 1 . 627 . . 96 LYS CB . 25228 1 554 . 1 1 96 96 LYS N N 15 126.585 0.018 . 1 . 40 . . 96 LYS N . 25228 1 555 . 1 1 97 97 LYS H H 1 8.541 0.003 . 1 . 151 . . 97 LYS H . 25228 1 556 . 1 1 97 97 LYS HA H 1 4.259 . . 1 . 734 . . 97 LYS HA . 25228 1 557 . 1 1 97 97 LYS C C 13 176.454 0.001 . 1 . 342 . . 97 LYS C . 25228 1 558 . 1 1 97 97 LYS CA C 13 56.613 0.045 . 1 . 498 . . 97 LYS CA . 25228 1 559 . 1 1 97 97 LYS CB C 13 33.184 0.089 . 1 . 495 . . 97 LYS CB . 25228 1 560 . 1 1 97 97 LYS N N 15 123.854 0.04 . 1 . 152 . . 97 LYS N . 25228 1 561 . 1 1 98 98 ASP H H 1 8.468 0.001 . 1 . 147 . . 98 ASP H . 25228 1 562 . 1 1 98 98 ASP HA H 1 4.539 . . 1 . 718 . . 98 ASP HA . 25228 1 563 . 1 1 98 98 ASP C C 13 176.268 0.001 . 1 . 301 . . 98 ASP C . 25228 1 564 . 1 1 98 98 ASP CA C 13 54.518 0.022 . 1 . 497 . . 98 ASP CA . 25228 1 565 . 1 1 98 98 ASP CB C 13 41.055 0.01 . 1 . 496 . . 98 ASP CB . 25228 1 566 . 1 1 98 98 ASP N N 15 121.309 0.024 . 1 . 148 . . 98 ASP N . 25228 1 567 . 1 1 99 99 GLN H H 1 8.407 0.001 . 1 . 3 . . 99 GLN H . 25228 1 568 . 1 1 99 99 GLN HA H 1 4.297 . . 1 . 755 . . 99 GLN HA . 25228 1 569 . 1 1 99 99 GLN C C 13 176.095 0.005 . 1 . 283 . . 99 GLN C . 25228 1 570 . 1 1 99 99 GLN CA C 13 55.869 0.023 . 1 . 459 . . 99 GLN CA . 25228 1 571 . 1 1 99 99 GLN CB C 13 29.398 0.003 . 1 . 460 . . 99 GLN CB . 25228 1 572 . 1 1 99 99 GLN N N 15 120.328 0.018 . 1 . 4 . . 99 GLN N . 25228 1 573 . 1 1 100 100 LEU H H 1 8.362 0.001 . 1 . 177 . . 100 LEU H . 25228 1 574 . 1 1 100 100 LEU HA H 1 4.312 . . 1 . 679 . . 100 LEU HA . 25228 1 575 . 1 1 100 100 LEU C C 13 178.071 0.003 . 1 . 327 . . 100 LEU C . 25228 1 576 . 1 1 100 100 LEU CA C 13 55.448 0.031 . 1 . 609 . . 100 LEU CA . 25228 1 577 . 1 1 100 100 LEU CB C 13 42.231 0.006 . 1 . 380 . . 100 LEU CB . 25228 1 578 . 1 1 100 100 LEU N N 15 122.978 0.025 . 1 . 178 . . 100 LEU N . 25228 1 579 . 1 1 101 101 GLY H H 1 8.553 0.001 . 1 . 101 . . 101 GLY H . 25228 1 580 . 1 1 101 101 GLY HA2 H 1 3.897 . . 2 . 728 . . 101 GLY HA2 . 25228 1 581 . 1 1 101 101 GLY HA3 H 1 3.937 . . 2 . 729 . . 101 GLY HA3 . 25228 1 582 . 1 1 101 101 GLY C C 13 174.166 0.005 . 1 . 245 . . 101 GLY C . 25228 1 583 . 1 1 101 101 GLY CA C 13 45.326 0.01 . 1 . 379 . . 101 GLY CA . 25228 1 584 . 1 1 101 101 GLY N N 15 109.923 0.024 . 1 . 102 . . 101 GLY N . 25228 1 585 . 1 1 102 102 LYS H H 1 8.277 0.001 . 1 . 227 . . 102 LYS H . 25228 1 586 . 1 1 102 102 LYS HA H 1 4.304 . . 1 . 711 . . 102 LYS HA . 25228 1 587 . 1 1 102 102 LYS C C 13 176.551 0.005 . 1 . 293 . . 102 LYS C . 25228 1 588 . 1 1 102 102 LYS CA C 13 56.333 0.027 . 1 . 442 . . 102 LYS CA . 25228 1 589 . 1 1 102 102 LYS CB C 13 33.118 0.012 . 1 . 443 . . 102 LYS CB . 25228 1 590 . 1 1 102 102 LYS N N 15 120.871 0.017 . 1 . 228 . . 102 LYS N . 25228 1 591 . 1 1 103 103 ASN H H 1 8.689 0.001 . 1 . 191 . . 103 ASN H . 25228 1 592 . 1 1 103 103 ASN HA H 1 4.676 . . 1 . 736 . . 103 ASN HA . 25228 1 593 . 1 1 103 103 ASN C C 13 175.349 0.005 . 1 . 274 . . 103 ASN C . 25228 1 594 . 1 1 103 103 ASN CA C 13 53.348 . . 1 . 441 . . 103 ASN CA . 25228 1 595 . 1 1 103 103 ASN CB C 13 38.771 . . 1 . 440 . . 103 ASN CB . 25228 1 596 . 1 1 103 103 ASN N N 15 120.052 0.014 . 1 . 192 . . 103 ASN N . 25228 1 597 . 1 1 104 104 GLU H H 1 8.533 0.001 . 1 . 75 . . 104 GLU H . 25228 1 598 . 1 1 104 104 GLU HA H 1 4.265 . . 1 . 813 . . 104 GLU HA . 25228 1 599 . 1 1 104 104 GLU C C 13 176.620 0.014 . 1 . 304 . . 104 GLU C . 25228 1 600 . 1 1 104 104 GLU CA C 13 56.714 . . 1 . 506 . . 104 GLU CA . 25228 1 601 . 1 1 104 104 GLU CB C 13 30.259 . . 1 . 503 . . 104 GLU CB . 25228 1 602 . 1 1 104 104 GLU N N 15 121.531 0.025 . 1 . 76 . . 104 GLU N . 25228 1 603 . 1 1 105 105 GLU H H 1 8.539 0.002 . 1 . 655 . . 105 GLU H . 25228 1 604 . 1 1 105 105 GLU HA H 1 4.236 . . 1 . 807 . . 105 GLU HA . 25228 1 605 . 1 1 105 105 GLU C C 13 177.085 0.011 . 1 . 657 . . 105 GLU C . 25228 1 606 . 1 1 105 105 GLU CA C 13 56.954 . . 1 . 653 . . 105 GLU CA . 25228 1 607 . 1 1 105 105 GLU CB C 13 30.215 . . 1 . 654 . . 105 GLU CB . 25228 1 608 . 1 1 105 105 GLU N N 15 122.020 0.032 . 1 . 656 . . 105 GLU N . 25228 1 609 . 1 1 106 106 GLY H H 1 8.501 0.001 . 1 . 645 . . 106 GLY H . 25228 1 610 . 1 1 106 106 GLY HA2 H 1 3.909 . . 1 . 783 . . 106 GLY HA2 . 25228 1 611 . 1 1 106 106 GLY C C 13 173.468 0.002 . 1 . 353 . . 106 GLY C . 25228 1 612 . 1 1 106 106 GLY CA C 13 45.037 0.008 . 1 . 551 . . 106 GLY CA . 25228 1 613 . 1 1 106 106 GLY N N 15 110.350 0.018 . 1 . 644 . . 106 GLY N . 25228 1 614 . 1 1 107 107 ALA H H 1 8.197 0.001 . 1 . 131 . . 107 ALA H . 25228 1 615 . 1 1 107 107 ALA HA H 1 4.600 . . 1 . 814 . . 107 ALA HA . 25228 1 616 . 1 1 107 107 ALA C C 13 175.625 . . 1 . 354 . . 107 ALA C . 25228 1 617 . 1 1 107 107 ALA CA C 13 50.540 . . 1 . 552 . . 107 ALA CA . 25228 1 618 . 1 1 107 107 ALA CB C 13 18.129 . . 1 . 550 . . 107 ALA CB . 25228 1 619 . 1 1 107 107 ALA N N 15 125.052 0.018 . 1 . 132 . . 107 ALA N . 25228 1 620 . 1 1 108 108 PRO HA H 1 4.410 . . 1 . 735 . . 108 PRO HA . 25228 1 621 . 1 1 108 108 PRO C C 13 177.107 . . 1 . 302 . . 108 PRO C . 25228 1 622 . 1 1 108 108 PRO CA C 13 63.131 0.017 . 1 . 500 . . 108 PRO CA . 25228 1 623 . 1 1 108 108 PRO CB C 13 32.077 0.013 . 1 . 502 . . 108 PRO CB . 25228 1 624 . 1 1 109 109 GLN H H 1 8.667 0.001 . 1 . 203 . . 109 GLN H . 25228 1 625 . 1 1 109 109 GLN HA H 1 4.282 . . 1 . 751 . . 109 GLN HA . 25228 1 626 . 1 1 109 109 GLN C C 13 176.042 0.002 . 1 . 303 . . 109 GLN C . 25228 1 627 . 1 1 109 109 GLN CA C 13 55.757 0.012 . 1 . 499 . . 109 GLN CA . 25228 1 628 . 1 1 109 109 GLN CB C 13 29.618 0.007 . 1 . 501 . . 109 GLN CB . 25228 1 629 . 1 1 109 109 GLN N N 15 121.344 0.018 . 1 . 204 . . 109 GLN N . 25228 1 630 . 1 1 110 110 GLU H H 1 8.598 0.001 . 1 . 215 . . 110 GLU H . 25228 1 631 . 1 1 110 110 GLU HA H 1 4.277 . . 1 . 680 . . 110 GLU HA . 25228 1 632 . 1 1 110 110 GLU C C 13 176.909 0.007 . 1 . 319 . . 110 GLU C . 25228 1 633 . 1 1 110 110 GLU CA C 13 56.735 0.029 . 1 . 601 . . 110 GLU CA . 25228 1 634 . 1 1 110 110 GLU CB C 13 30.487 0.025 . 1 . 600 . . 110 GLU CB . 25228 1 635 . 1 1 110 110 GLU N N 15 122.699 0.019 . 1 . 216 . . 110 GLU N . 25228 1 636 . 1 1 111 111 GLY H H 1 8.556 0.001 . 1 . 201 . . 111 GLY H . 25228 1 637 . 1 1 111 111 GLY HA2 H 1 3.922 . . 1 . 715 . . 111 GLY HA2 . 25228 1 638 . 1 1 111 111 GLY C C 13 173.823 0.002 . 1 . 246 . . 111 GLY C . 25228 1 639 . 1 1 111 111 GLY CA C 13 45.286 0.011 . 1 . 454 . . 111 GLY CA . 25228 1 640 . 1 1 111 111 GLY N N 15 110.408 0.023 . 1 . 202 . . 111 GLY N . 25228 1 641 . 1 1 112 112 ILE H H 1 8.068 0.001 . 1 . 229 . . 112 ILE H . 25228 1 642 . 1 1 112 112 ILE HA H 1 4.148 . . 1 . 795 . . 112 ILE HA . 25228 1 643 . 1 1 112 112 ILE C C 13 176.348 0.005 . 1 . 279 . . 112 ILE C . 25228 1 644 . 1 1 112 112 ILE CA C 13 61.018 0.0 . 1 . 453 . . 112 ILE CA . 25228 1 645 . 1 1 112 112 ILE CB C 13 38.636 0.015 . 1 . 455 . . 112 ILE CB . 25228 1 646 . 1 1 112 112 ILE N N 15 120.282 0.015 . 1 . 230 . . 112 ILE N . 25228 1 647 . 1 1 113 113 LEU H H 1 8.481 0.001 . 1 . 95 . . 113 LEU H . 25228 1 648 . 1 1 113 113 LEU HA H 1 4.370 . . 1 . 747 . . 113 LEU HA . 25228 1 649 . 1 1 113 113 LEU C C 13 177.221 0.002 . 1 . 365 . . 113 LEU C . 25228 1 650 . 1 1 113 113 LEU CA C 13 55.080 0.021 . 1 . 567 . . 113 LEU CA . 25228 1 651 . 1 1 113 113 LEU CB C 13 42.335 0.017 . 1 . 566 . . 113 LEU CB . 25228 1 652 . 1 1 113 113 LEU N N 15 127.161 0.017 . 1 . 96 . . 113 LEU N . 25228 1 653 . 1 1 114 114 GLU H H 1 8.490 0.001 . 1 . 649 . . 114 GLU H . 25228 1 654 . 1 1 114 114 GLU HA H 1 4.229 . . 1 . 737 . . 114 GLU HA . 25228 1 655 . 1 1 114 114 GLU C C 13 175.930 0.005 . 1 . 305 . . 114 GLU C . 25228 1 656 . 1 1 114 114 GLU CA C 13 56.529 0.004 . 1 . 510 . . 114 GLU CA . 25228 1 657 . 1 1 114 114 GLU CB C 13 30.588 0.007 . 1 . 507 . . 114 GLU CB . 25228 1 658 . 1 1 114 114 GLU N N 15 122.378 0.023 . 1 . 650 . . 114 GLU N . 25228 1 659 . 1 1 115 115 ASP H H 1 8.428 0.001 . 1 . 13 . . 115 ASP H . 25228 1 660 . 1 1 115 115 ASP HA H 1 4.546 . . 1 . 745 . . 115 ASP HA . 25228 1 661 . 1 1 115 115 ASP C C 13 175.829 0.0 . 1 . 306 . . 115 ASP C . 25228 1 662 . 1 1 115 115 ASP CA C 13 54.295 0.024 . 1 . 509 . . 115 ASP CA . 25228 1 663 . 1 1 115 115 ASP CB C 13 41.116 0.005 . 1 . 508 . . 115 ASP CB . 25228 1 664 . 1 1 115 115 ASP N N 15 121.533 0.012 . 1 . 14 . . 115 ASP N . 25228 1 665 . 1 1 116 116 MET H H 1 8.325 0.001 . 1 . 219 . . 116 MET H . 25228 1 666 . 1 1 116 116 MET HA H 1 4.788 . . 1 . 815 . . 116 MET HA . 25228 1 667 . 1 1 116 116 MET C C 13 174.141 . . 1 . 313 . . 116 MET C . 25228 1 668 . 1 1 116 116 MET CA C 13 53.262 . . 1 . 587 . . 116 MET CA . 25228 1 669 . 1 1 116 116 MET CB C 13 32.392 . . 1 . 586 . . 116 MET CB . 25228 1 670 . 1 1 116 116 MET N N 15 122.131 0.013 . 1 . 220 . . 116 MET N . 25228 1 671 . 1 1 117 117 PRO HA H 1 4.436 . . 1 . 733 . . 117 PRO HA . 25228 1 672 . 1 1 117 117 PRO C C 13 176.758 . . 1 . 299 . . 117 PRO C . 25228 1 673 . 1 1 117 117 PRO CA C 13 62.960 0.014 . 1 . 494 . . 117 PRO CA . 25228 1 674 . 1 1 117 117 PRO CB C 13 32.173 0.009 . 1 . 491 . . 117 PRO CB . 25228 1 675 . 1 1 118 118 VAL H H 1 8.381 0.001 . 1 . 45 . . 118 VAL H . 25228 1 676 . 1 1 118 118 VAL HA H 1 4.038 . . 1 . 793 . . 118 VAL HA . 25228 1 677 . 1 1 118 118 VAL C C 13 175.810 0.0 . 1 . 300 . . 118 VAL C . 25228 1 678 . 1 1 118 118 VAL CA C 13 62.005 0.021 . 1 . 493 . . 118 VAL CA . 25228 1 679 . 1 1 118 118 VAL CB C 13 33.067 0.012 . 1 . 492 . . 118 VAL CB . 25228 1 680 . 1 1 118 118 VAL N N 15 121.046 0.017 . 1 . 46 . . 118 VAL N . 25228 1 681 . 1 1 119 119 ASP H H 1 8.597 0.001 . 1 . 197 . . 119 ASP H . 25228 1 682 . 1 1 119 119 ASP HA H 1 4.874 . . 1 . 816 . . 119 ASP HA . 25228 1 683 . 1 1 119 119 ASP C C 13 174.769 . . 1 . 363 . . 119 ASP C . 25228 1 684 . 1 1 119 119 ASP CA C 13 52.105 . . 1 . 564 . . 119 ASP CA . 25228 1 685 . 1 1 119 119 ASP CB C 13 41.112 . . 1 . 563 . . 119 ASP CB . 25228 1 686 . 1 1 119 119 ASP N N 15 126.136 0.016 . 1 . 198 . . 119 ASP N . 25228 1 687 . 1 1 120 120 PRO HA H 1 4.290 . . 1 . 703 . . 120 PRO HA . 25228 1 688 . 1 1 120 120 PRO C C 13 176.971 . . 1 . 265 . . 120 PRO C . 25228 1 689 . 1 1 120 120 PRO CA C 13 63.582 0.002 . 1 . 428 . . 120 PRO CA . 25228 1 690 . 1 1 120 120 PRO CB C 13 32.202 0.0 . 1 . 427 . . 120 PRO CB . 25228 1 691 . 1 1 121 121 ASP H H 1 8.440 0.001 . 1 . 163 . . 121 ASP H . 25228 1 692 . 1 1 121 121 ASP HA H 1 4.581 . . 1 . 702 . . 121 ASP HA . 25228 1 693 . 1 1 121 121 ASP C C 13 176.209 0.001 . 1 . 266 . . 121 ASP C . 25228 1 694 . 1 1 121 121 ASP CA C 13 54.620 0.016 . 1 . 426 . . 121 ASP CA . 25228 1 695 . 1 1 121 121 ASP CB C 13 40.901 0.004 . 1 . 425 . . 121 ASP CB . 25228 1 696 . 1 1 121 121 ASP N N 15 119.302 0.018 . 1 . 164 . . 121 ASP N . 25228 1 697 . 1 1 122 122 ASN H H 1 8.158 0.001 . 1 . 225 . . 122 ASN H . 25228 1 698 . 1 1 122 122 ASN HA H 1 4.658 . . 1 . 744 . . 122 ASN HA . 25228 1 699 . 1 1 122 122 ASN C C 13 175.469 0.006 . 1 . 267 . . 122 ASN C . 25228 1 700 . 1 1 122 122 ASN CA C 13 53.513 0.011 . 1 . 424 . . 122 ASN CA . 25228 1 701 . 1 1 122 122 ASN CB C 13 39.339 0.023 . 1 . 423 . . 122 ASN CB . 25228 1 702 . 1 1 122 122 ASN N N 15 119.219 0.015 . 1 . 226 . . 122 ASN N . 25228 1 703 . 1 1 123 123 GLU H H 1 8.457 0.001 . 1 . 109 . . 123 GLU H . 25228 1 704 . 1 1 123 123 GLU HA H 1 4.186 . . 1 . 781 . . 123 GLU HA . 25228 1 705 . 1 1 123 123 GLU C C 13 176.158 0.005 . 1 . 312 . . 123 GLU C . 25228 1 706 . 1 1 123 123 GLU CA C 13 56.960 0.015 . 1 . 595 . . 123 GLU CA . 25228 1 707 . 1 1 123 123 GLU CB C 13 30.094 0.01 . 1 . 596 . . 123 GLU CB . 25228 1 708 . 1 1 123 123 GLU N N 15 121.970 0.014 . 1 . 110 . . 123 GLU N . 25228 1 709 . 1 1 124 124 ALA H H 1 8.304 0.001 . 1 . 5 . . 124 ALA H . 25228 1 710 . 1 1 124 124 ALA HA H 1 4.262 . . 1 . 713 . . 124 ALA HA . 25228 1 711 . 1 1 124 124 ALA C C 13 177.280 0.003 . 1 . 351 . . 124 ALA C . 25228 1 712 . 1 1 124 124 ALA CA C 13 52.360 0.007 . 1 . 547 . . 124 ALA CA . 25228 1 713 . 1 1 124 124 ALA CB C 13 19.112 0.006 . 1 . 546 . . 124 ALA CB . 25228 1 714 . 1 1 124 124 ALA N N 15 124.454 0.016 . 1 . 6 . . 124 ALA N . 25228 1 715 . 1 1 125 125 TYR H H 1 8.092 0.001 . 1 . 119 . . 125 TYR H . 25228 1 716 . 1 1 125 125 TYR HA H 1 4.485 . . 1 . 780 . . 125 TYR HA . 25228 1 717 . 1 1 125 125 TYR C C 13 175.382 0.005 . 1 . 277 . . 125 TYR C . 25228 1 718 . 1 1 125 125 TYR CA C 13 57.928 0.008 . 1 . 448 . . 125 TYR CA . 25228 1 719 . 1 1 125 125 TYR CB C 13 38.981 0.011 . 1 . 447 . . 125 TYR CB . 25228 1 720 . 1 1 125 125 TYR N N 15 120.135 0.022 . 1 . 120 . . 125 TYR N . 25228 1 721 . 1 1 126 126 GLU H H 1 8.181 0.001 . 1 . 79 . . 126 GLU H . 25228 1 722 . 1 1 126 126 GLU HA H 1 4.223 . . 1 . 778 . . 126 GLU HA . 25228 1 723 . 1 1 126 126 GLU C C 13 175.433 0.004 . 1 . 350 . . 126 GLU C . 25228 1 724 . 1 1 126 126 GLU CA C 13 55.647 0.014 . 1 . 545 . . 126 GLU CA . 25228 1 725 . 1 1 126 126 GLU CB C 13 30.768 0.005 . 1 . 544 . . 126 GLU CB . 25228 1 726 . 1 1 126 126 GLU N N 15 124.067 0.017 . 1 . 80 . . 126 GLU N . 25228 1 727 . 1 1 127 127 MET H H 1 8.484 0.001 . 1 . 21 . . 127 MET H . 25228 1 728 . 1 1 127 127 MET HA H 1 4.673 . . 1 . 817 . . 127 MET HA . 25228 1 729 . 1 1 127 127 MET C C 13 174.316 . . 1 . 348 . . 127 MET C . 25228 1 730 . 1 1 127 127 MET CA C 13 53.350 . . 1 . 541 . . 127 MET CA . 25228 1 731 . 1 1 127 127 MET CB C 13 32.300 . . 1 . 540 . . 127 MET CB . 25228 1 732 . 1 1 127 127 MET N N 15 124.048 0.014 . 1 . 22 . . 127 MET N . 25228 1 733 . 1 1 128 128 PRO HA H 1 4.414 . . 1 . 697 . . 128 PRO HA . 25228 1 734 . 1 1 128 128 PRO C C 13 176.930 . . 1 . 261 . . 128 PRO C . 25228 1 735 . 1 1 128 128 PRO CA C 13 63.150 0.012 . 1 . 405 . . 128 PRO CA . 25228 1 736 . 1 1 128 128 PRO CB C 13 32.213 0.006 . 1 . 406 . . 128 PRO CB . 25228 1 737 . 1 1 129 129 SER H H 1 8.559 0.001 . 1 . 61 . . 129 SER H . 25228 1 738 . 1 1 129 129 SER HA H 1 4.393 . . 1 . 760 . . 129 SER HA . 25228 1 739 . 1 1 129 129 SER C C 13 174.854 0.004 . 1 . 262 . . 129 SER C . 25228 1 740 . 1 1 129 129 SER CA C 13 58.350 0.045 . 1 . 403 . . 129 SER CA . 25228 1 741 . 1 1 129 129 SER CB C 13 63.897 0.021 . 1 . 404 . . 129 SER CB . 25228 1 742 . 1 1 129 129 SER N N 15 116.906 0.015 . 1 . 62 . . 129 SER N . 25228 1 743 . 1 1 130 130 GLU H H 1 8.647 0.001 . 1 . 205 . . 130 GLU H . 25228 1 744 . 1 1 130 130 GLU HA H 1 4.280 . . 1 . 810 . . 130 GLU HA . 25228 1 745 . 1 1 130 130 GLU C C 13 176.591 0.005 . 1 . 331 . . 130 GLU C . 25228 1 746 . 1 1 130 130 GLU CA C 13 56.554 . . 1 . 598 . . 130 GLU CA . 25228 1 747 . 1 1 130 130 GLU CB C 13 30.315 . . 1 . 599 . . 130 GLU CB . 25228 1 748 . 1 1 130 130 GLU N N 15 123.284 0.016 . 1 . 206 . . 130 GLU N . 25228 1 749 . 1 1 131 131 GLU H H 1 8.528 0.0 . 1 . 671 . . 131 GLU H . 25228 1 750 . 1 1 131 131 GLU HA H 1 4.209 . . 1 . 805 . . 131 GLU HA . 25228 1 751 . 1 1 131 131 GLU C C 13 177.027 0.011 . 1 . 673 . . 131 GLU C . 25228 1 752 . 1 1 131 131 GLU CA C 13 57.018 . . 1 . 661 . . 131 GLU CA . 25228 1 753 . 1 1 131 131 GLU CB C 13 30.262 . . 1 . 662 . . 131 GLU CB . 25228 1 754 . 1 1 131 131 GLU N N 15 122.106 0.02 . 1 . 672 . . 131 GLU N . 25228 1 755 . 1 1 132 132 GLY H H 1 8.481 0.001 . 1 . 636 . . 132 GLY H . 25228 1 756 . 1 1 132 132 GLY HA2 H 1 3.887 . . 1 . 719 . . 132 GLY HA2 . 25228 1 757 . 1 1 132 132 GLY C C 13 173.911 0.006 . 1 . 284 . . 132 GLY C . 25228 1 758 . 1 1 132 132 GLY CA C 13 45.150 0.002 . 1 . 461 . . 132 GLY CA . 25228 1 759 . 1 1 132 132 GLY N N 15 110.109 0.014 . 1 . 637 . . 132 GLY N . 25228 1 760 . 1 1 133 133 TYR H H 1 8.124 0.001 . 1 . 37 . . 133 TYR H . 25228 1 761 . 1 1 133 133 TYR HA H 1 4.480 . . 1 . 753 . . 133 TYR HA . 25228 1 762 . 1 1 133 133 TYR C C 13 175.816 0.001 . 1 . 285 . . 133 TYR C . 25228 1 763 . 1 1 133 133 TYR CA C 13 58.258 0.025 . 1 . 463 . . 133 TYR CA . 25228 1 764 . 1 1 133 133 TYR CB C 13 38.753 0.008 . 1 . 462 . . 133 TYR CB . 25228 1 765 . 1 1 133 133 TYR N N 15 120.411 0.016 . 1 . 38 . . 133 TYR N . 25228 1 766 . 1 1 134 134 GLN H H 1 8.293 0.001 . 1 . 117 . . 134 GLN H . 25228 1 767 . 1 1 134 134 GLN HA H 1 4.224 . . 1 . 740 . . 134 GLN HA . 25228 1 768 . 1 1 134 134 GLN C C 13 174.915 0.0 . 1 . 324 . . 134 GLN C . 25228 1 769 . 1 1 134 134 GLN CA C 13 55.443 0.031 . 1 . 605 . . 134 GLN CA . 25228 1 770 . 1 1 134 134 GLN CB C 13 29.811 0.005 . 1 . 608 . . 134 GLN CB . 25228 1 771 . 1 1 134 134 GLN N N 15 122.862 0.019 . 1 . 118 . . 134 GLN N . 25228 1 772 . 1 1 135 135 ASP H H 1 8.296 0.001 . 1 . 31 . . 135 ASP H . 25228 1 773 . 1 1 135 135 ASP HA H 1 4.506 . . 1 . 723 . . 135 ASP HA . 25228 1 774 . 1 1 135 135 ASP C C 13 175.573 0.004 . 1 . 311 . . 135 ASP C . 25228 1 775 . 1 1 135 135 ASP CA C 13 54.275 0.009 . 1 . 521 . . 135 ASP CA . 25228 1 776 . 1 1 135 135 ASP CB C 13 41.153 0.02 . 1 . 520 . . 135 ASP CB . 25228 1 777 . 1 1 135 135 ASP N N 15 121.739 0.016 . 1 . 32 . . 135 ASP N . 25228 1 778 . 1 1 136 136 TYR H H 1 8.101 0.001 . 1 . 141 . . 136 TYR H . 25228 1 779 . 1 1 136 136 TYR HA H 1 4.530 . . 1 . 788 . . 136 TYR HA . 25228 1 780 . 1 1 136 136 TYR C C 13 175.134 0.0 . 1 . 290 . . 136 TYR C . 25228 1 781 . 1 1 136 136 TYR CA C 13 57.669 0.025 . 1 . 474 . . 136 TYR CA . 25228 1 782 . 1 1 136 136 TYR CB C 13 39.068 0.007 . 1 . 473 . . 136 TYR CB . 25228 1 783 . 1 1 136 136 TYR N N 15 120.610 0.019 . 1 . 142 . . 136 TYR N . 25228 1 784 . 1 1 137 137 GLU H H 1 8.309 0.002 . 1 . 107 . . 137 GLU H . 25228 1 785 . 1 1 137 137 GLU HA H 1 4.536 . . 1 . 818 . . 137 GLU HA . 25228 1 786 . 1 1 137 137 GLU C C 13 173.710 . . 1 . 358 . . 137 GLU C . 25228 1 787 . 1 1 137 137 GLU CA C 13 53.653 . . 1 . 557 . . 137 GLU CA . 25228 1 788 . 1 1 137 137 GLU CB C 13 30.286 . . 1 . 556 . . 137 GLU CB . 25228 1 789 . 1 1 137 137 GLU N N 15 125.554 0.043 . 1 . 108 . . 137 GLU N . 25228 1 790 . 1 1 138 138 PRO HA H 1 4.324 . . 1 . 739 . . 138 PRO HA . 25228 1 791 . 1 1 138 138 PRO C C 13 176.916 . . 1 . 309 . . 138 PRO C . 25228 1 792 . 1 1 138 138 PRO CA C 13 62.948 0.013 . 1 . 519 . . 138 PRO CA . 25228 1 793 . 1 1 138 138 PRO CB C 13 32.242 0.007 . 1 . 517 . . 138 PRO CB . 25228 1 794 . 1 1 139 139 GLU H H 1 8.592 0.001 . 1 . 239 . . 139 GLU H . 25228 1 795 . 1 1 139 139 GLU HA H 1 4.191 . . 1 . 675 . . 139 GLU HA . 25228 1 796 . 1 1 139 139 GLU C C 13 175.468 0.006 . 1 . 310 . . 139 GLU C . 25228 1 797 . 1 1 139 139 GLU CA C 13 56.604 0.018 . 1 . 518 . . 139 GLU CA . 25228 1 798 . 1 1 139 139 GLU CB C 13 30.307 0.005 . 1 . 516 . . 139 GLU CB . 25228 1 799 . 1 1 139 139 GLU N N 15 121.699 0.022 . 1 . 240 . . 139 GLU N . 25228 1 800 . 1 1 140 140 ALA H H 1 8.070 0.0 . 1 . 231 . . 140 ALA H . 25228 1 801 . 1 1 140 140 ALA HA H 1 4.095 . . 1 . 819 . . 140 ALA HA . 25228 1 802 . 1 1 140 140 ALA C C 13 176.657 . . 1 . 242 . . 140 ALA C . 25228 1 803 . 1 1 140 140 ALA CA C 13 53.862 . . 1 . 375 . . 140 ALA CA . 25228 1 804 . 1 1 140 140 ALA CB C 13 20.158 . . 1 . 376 . . 140 ALA CB . 25228 1 805 . 1 1 140 140 ALA N N 15 131.051 0.019 . 1 . 232 . . 140 ALA N . 25228 1 stop_ save_