data_19348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19348 _Entry.Title ; mouse alpha synuclein N87S mutant- mouse/human chimera ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-09 _Entry.Accession_date 2013-07-09 _Entry.Last_release_date 2013-09-25 _Entry.Original_release_date 2013-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jean Baum . . . 19348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 19348 '15N chemical shifts' 128 19348 '1H chemical shifts' 128 19348 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-09-25 2013-07-09 original author . 19348 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19337 'aSyn monomer' 19348 BMRB 19338 'aSyn A53T monomer' 19348 BMRB 19344 'aSyn S87N monomer' 19348 BMRB 19345 'aSyn A53T&S87N monomer' 19348 BMRB 19346 'aSyn mouse monomer' 19348 BMRB 19347 'aSyn mouse_T53A monomer' 19348 BMRB 19349 'aSyn mouse_T53A&N87S monomer' 19348 BMRB 19350 'acetylated aSyn monomer' 19348 BMRB 19351 'acetylated aSyn A53T monomer' 19348 stop_ save_ ############### # Citations # ############### save_asyn_mouse_N87S_PBS _Citation.Sf_category citations _Citation.Sf_framecode asyn_mouse_N87S_PBS _Citation.Entry_ID 19348 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24058647 _Citation.Full_citation . _Citation.Title 'Mechanistic Insight into the Relationship between N-Terminal Acetylation of -Synuclein and Fibril Formation Rates by NMR and Fluorescence.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e75018 _Citation.Page_last e75018 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lijuan Kang . . . 19348 1 2 Maria Janowska . K. . 19348 1 3 Gina Moriarty . M. . 19348 1 4 Jean Baum . . . 19348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19348 _Assembly.ID 1 _Assembly.Name 'aSyn mouse_N87S monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'aSyn mouse_N87S monomer' 1 $aSyn_mouse_N87S A . yes native no no . . . 19348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aSyn_mouse_N87S _Entity.Sf_category entity _Entity.Sf_framecode aSyn_mouse_N87S _Entity.Entry_ID 19348 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aSyn_mouse_N87S _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DVFMKGLSKAKEGVVAAAEK TKQGVAEAAGKTKEGVLYVG SKTKEGVVHGVTTVAEKTKE QVTNVGGAVVTGVTAVAQKT VEGAGSIAAATGFVKKDQMG KGEEGYPQEGILEDMPVDPG SEAYEMPSEEGYQDYEPEA ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18232 . mouse_alpha-synuclein . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 2 no BMRB 19346 . aSyn_mouse . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 3 no BMRB 19347 . aSyn_mouse_T53A . . . . . 100.00 140 98.56 99.28 1.18e-86 . . . . 19348 1 4 no BMRB 19349 . aSyn_mouse_T53A&N87S . . . . . 100.00 139 99.28 99.28 4.88e-87 . . . . 19348 1 5 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.66 122 99.01 100.00 1.79e-56 . . . . 19348 1 6 no DBJ BAE33670 . "unnamed protein product [Mus musculus]" . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 7 no GB AAB20688 . "synuclein SYN1 [Rattus sp.]" . . . . . 100.00 140 98.56 99.28 9.20e-87 . . . . 19348 1 8 no GB AAC00521 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 98.56 99.28 1.52e-86 . . . . 19348 1 9 no GB AAC16026 . "synuclein 1 [Rattus norvegicus]" . . . . . 100.00 140 98.56 99.28 9.20e-87 . . . . 19348 1 10 no GB AAD11254 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 11 no GB AAD56907 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 12 no REF NP_001035916 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 13 no REF NP_033247 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 14 no REF NP_062042 . "alpha-synuclein [Rattus norvegicus]" . . . . . 100.00 140 98.56 99.28 9.20e-87 . . . . 19348 1 15 no REF XP_003503776 . "PREDICTED: alpha-synuclein [Cricetulus griseus]" . . . . . 100.00 140 98.56 100.00 7.40e-87 . . . . 19348 1 16 no REF XP_005360611 . "PREDICTED: alpha-synuclein [Microtus ochrogaster]" . . . . . 100.00 140 98.56 99.28 9.20e-87 . . . . 19348 1 17 no SP O55042 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 100.00 140 99.28 100.00 2.04e-87 . . . . 19348 1 18 no SP P37377 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.56 99.28 9.20e-87 . . . . 19348 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 2 ASP . 19348 1 2 3 VAL . 19348 1 3 4 PHE . 19348 1 4 5 MET . 19348 1 5 6 LYS . 19348 1 6 7 GLY . 19348 1 7 8 LEU . 19348 1 8 9 SER . 19348 1 9 10 LYS . 19348 1 10 11 ALA . 19348 1 11 12 LYS . 19348 1 12 13 GLU . 19348 1 13 14 GLY . 19348 1 14 15 VAL . 19348 1 15 16 VAL . 19348 1 16 17 ALA . 19348 1 17 18 ALA . 19348 1 18 19 ALA . 19348 1 19 20 GLU . 19348 1 20 21 LYS . 19348 1 21 22 THR . 19348 1 22 23 LYS . 19348 1 23 24 GLN . 19348 1 24 25 GLY . 19348 1 25 26 VAL . 19348 1 26 27 ALA . 19348 1 27 28 GLU . 19348 1 28 29 ALA . 19348 1 29 30 ALA . 19348 1 30 31 GLY . 19348 1 31 32 LYS . 19348 1 32 33 THR . 19348 1 33 34 LYS . 19348 1 34 35 GLU . 19348 1 35 36 GLY . 19348 1 36 37 VAL . 19348 1 37 38 LEU . 19348 1 38 39 TYR . 19348 1 39 40 VAL . 19348 1 40 41 GLY . 19348 1 41 42 SER . 19348 1 42 43 LYS . 19348 1 43 44 THR . 19348 1 44 45 LYS . 19348 1 45 46 GLU . 19348 1 46 47 GLY . 19348 1 47 48 VAL . 19348 1 48 49 VAL . 19348 1 49 50 HIS . 19348 1 50 51 GLY . 19348 1 51 52 VAL . 19348 1 52 53 THR . 19348 1 53 54 THR . 19348 1 54 55 VAL . 19348 1 55 56 ALA . 19348 1 56 57 GLU . 19348 1 57 58 LYS . 19348 1 58 59 THR . 19348 1 59 60 LYS . 19348 1 60 61 GLU . 19348 1 61 62 GLN . 19348 1 62 63 VAL . 19348 1 63 64 THR . 19348 1 64 65 ASN . 19348 1 65 66 VAL . 19348 1 66 67 GLY . 19348 1 67 68 GLY . 19348 1 68 69 ALA . 19348 1 69 70 VAL . 19348 1 70 71 VAL . 19348 1 71 72 THR . 19348 1 72 73 GLY . 19348 1 73 74 VAL . 19348 1 74 75 THR . 19348 1 75 76 ALA . 19348 1 76 77 VAL . 19348 1 77 78 ALA . 19348 1 78 79 GLN . 19348 1 79 80 LYS . 19348 1 80 81 THR . 19348 1 81 82 VAL . 19348 1 82 83 GLU . 19348 1 83 84 GLY . 19348 1 84 85 ALA . 19348 1 85 86 GLY . 19348 1 86 87 SER . 19348 1 87 88 ILE . 19348 1 88 89 ALA . 19348 1 89 90 ALA . 19348 1 90 91 ALA . 19348 1 91 92 THR . 19348 1 92 93 GLY . 19348 1 93 94 PHE . 19348 1 94 95 VAL . 19348 1 95 96 LYS . 19348 1 96 97 LYS . 19348 1 97 98 ASP . 19348 1 98 99 GLN . 19348 1 99 100 MET . 19348 1 100 101 GLY . 19348 1 101 102 LYS . 19348 1 102 103 GLY . 19348 1 103 104 GLU . 19348 1 104 105 GLU . 19348 1 105 106 GLY . 19348 1 106 107 TYR . 19348 1 107 108 PRO . 19348 1 108 109 GLN . 19348 1 109 110 GLU . 19348 1 110 111 GLY . 19348 1 111 112 ILE . 19348 1 112 113 LEU . 19348 1 113 114 GLU . 19348 1 114 115 ASP . 19348 1 115 116 MET . 19348 1 116 117 PRO . 19348 1 117 118 VAL . 19348 1 118 119 ASP . 19348 1 119 120 PRO . 19348 1 120 121 GLY . 19348 1 121 122 SER . 19348 1 122 123 GLU . 19348 1 123 124 ALA . 19348 1 124 125 TYR . 19348 1 125 126 GLU . 19348 1 126 127 MET . 19348 1 127 128 PRO . 19348 1 128 129 SER . 19348 1 129 130 GLU . 19348 1 130 131 GLU . 19348 1 131 132 GLY . 19348 1 132 133 TYR . 19348 1 133 134 GLN . 19348 1 134 135 ASP . 19348 1 135 136 TYR . 19348 1 136 137 GLU . 19348 1 137 138 PRO . 19348 1 138 139 GLU . 19348 1 139 140 ALA . 19348 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 . ASP 1 1 19348 1 . VAL 2 2 19348 1 . PHE 3 3 19348 1 . MET 4 4 19348 1 . LYS 5 5 19348 1 . GLY 6 6 19348 1 . LEU 7 7 19348 1 . SER 8 8 19348 1 . LYS 9 9 19348 1 . ALA 10 10 19348 1 . LYS 11 11 19348 1 . GLU 12 12 19348 1 . GLY 13 13 19348 1 . VAL 14 14 19348 1 . VAL 15 15 19348 1 . ALA 16 16 19348 1 . ALA 17 17 19348 1 . ALA 18 18 19348 1 . GLU 19 19 19348 1 . LYS 20 20 19348 1 . THR 21 21 19348 1 . LYS 22 22 19348 1 . GLN 23 23 19348 1 . GLY 24 24 19348 1 . VAL 25 25 19348 1 . ALA 26 26 19348 1 . GLU 27 27 19348 1 . ALA 28 28 19348 1 . ALA 29 29 19348 1 . GLY 30 30 19348 1 . LYS 31 31 19348 1 . THR 32 32 19348 1 . LYS 33 33 19348 1 . GLU 34 34 19348 1 . GLY 35 35 19348 1 . VAL 36 36 19348 1 . LEU 37 37 19348 1 . TYR 38 38 19348 1 . VAL 39 39 19348 1 . GLY 40 40 19348 1 . SER 41 41 19348 1 . LYS 42 42 19348 1 . THR 43 43 19348 1 . LYS 44 44 19348 1 . GLU 45 45 19348 1 . GLY 46 46 19348 1 . VAL 47 47 19348 1 . VAL 48 48 19348 1 . HIS 49 49 19348 1 . GLY 50 50 19348 1 . VAL 51 51 19348 1 . THR 52 52 19348 1 . THR 53 53 19348 1 . VAL 54 54 19348 1 . ALA 55 55 19348 1 . GLU 56 56 19348 1 . LYS 57 57 19348 1 . THR 58 58 19348 1 . LYS 59 59 19348 1 . GLU 60 60 19348 1 . GLN 61 61 19348 1 . VAL 62 62 19348 1 . THR 63 63 19348 1 . ASN 64 64 19348 1 . VAL 65 65 19348 1 . GLY 66 66 19348 1 . GLY 67 67 19348 1 . ALA 68 68 19348 1 . VAL 69 69 19348 1 . VAL 70 70 19348 1 . THR 71 71 19348 1 . GLY 72 72 19348 1 . VAL 73 73 19348 1 . THR 74 74 19348 1 . ALA 75 75 19348 1 . VAL 76 76 19348 1 . ALA 77 77 19348 1 . GLN 78 78 19348 1 . LYS 79 79 19348 1 . THR 80 80 19348 1 . VAL 81 81 19348 1 . GLU 82 82 19348 1 . GLY 83 83 19348 1 . ALA 84 84 19348 1 . GLY 85 85 19348 1 . SER 86 86 19348 1 . ILE 87 87 19348 1 . ALA 88 88 19348 1 . ALA 89 89 19348 1 . ALA 90 90 19348 1 . THR 91 91 19348 1 . GLY 92 92 19348 1 . PHE 93 93 19348 1 . VAL 94 94 19348 1 . LYS 95 95 19348 1 . LYS 96 96 19348 1 . ASP 97 97 19348 1 . GLN 98 98 19348 1 . MET 99 99 19348 1 . GLY 100 100 19348 1 . LYS 101 101 19348 1 . GLY 102 102 19348 1 . GLU 103 103 19348 1 . GLU 104 104 19348 1 . GLY 105 105 19348 1 . TYR 106 106 19348 1 . PRO 107 107 19348 1 . GLN 108 108 19348 1 . GLU 109 109 19348 1 . GLY 110 110 19348 1 . ILE 111 111 19348 1 . LEU 112 112 19348 1 . GLU 113 113 19348 1 . ASP 114 114 19348 1 . MET 115 115 19348 1 . PRO 116 116 19348 1 . VAL 117 117 19348 1 . ASP 118 118 19348 1 . PRO 119 119 19348 1 . GLY 120 120 19348 1 . SER 121 121 19348 1 . GLU 122 122 19348 1 . ALA 123 123 19348 1 . TYR 124 124 19348 1 . GLU 125 125 19348 1 . MET 126 126 19348 1 . PRO 127 127 19348 1 . SER 128 128 19348 1 . GLU 129 129 19348 1 . GLU 130 130 19348 1 . GLY 131 131 19348 1 . TYR 132 132 19348 1 . GLN 133 133 19348 1 . ASP 134 134 19348 1 . TYR 135 135 19348 1 . GLU 136 136 19348 1 . PRO 137 137 19348 1 . GLU 138 138 19348 1 . ALA 139 139 19348 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 19348 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $aSyn_mouse_N87S . 10090 organism . 'Mus musculus' 'House Mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . 'mouse sequence of aSyn with human mutation N87S' . . 19348 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 19348 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $aSyn_mouse_N87S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . p7-T7 . . . . . . 19348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19348 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 aSyn_mouse_N87S '[U-100% 13C; U-100% 15N]' . . 1 $aSyn_mouse_N87S . . 350 . . uM . . . . 19348 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19348 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19348 1 4 Phosphate 'natural abundance' . . . . . . 10 . . mM . . . . 19348 1 5 NaCl 'natural abundance' . . . . . . 138 . . mM . . . . 19348 1 6 KCl 'natural abundance' . . . . . . 2 . . mM . . . . 19348 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 19348 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 19348 1 pH 7.4 . pH 19348 1 pressure 1 . atm 19348 1 temperature 273 . K 19348 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19348 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19348 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19348 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19348 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19348 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 19348 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 19348 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19348 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19348 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19348 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19348 1 5 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19348 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19348 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 19348 _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 . indirect 0.251449530 . . . . . . . . . 19348 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19348 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 19348 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19348 1 2 '3D CBCA(CO)NH' . . . 19348 1 3 '3D HNCO' . . . 19348 1 4 '3D HNCACB' . . . 19348 1 5 '3D HN(CA)CO' . . . 19348 1 6 '3D HNN' . . . 19348 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 1 1 ASP C C 13 176.028 0.1 . 1 . . . . 2 ASP C . 19348 1 2 . 1 1 1 1 ASP CA C 13 54.187 0.1 . 1 . . . . 2 ASP CA . 19348 1 3 . 1 1 1 1 ASP CB C 13 41.531 0.1 . 1 . . . . 2 ASP CB . 19348 1 4 . 1 1 2 2 VAL H H 1 8.252 0.02 . 1 . . . . 3 VAL H . 19348 1 5 . 1 1 2 2 VAL C C 13 175.976 0.1 . 1 . . . . 3 VAL C . 19348 1 6 . 1 1 2 2 VAL CA C 13 62.465 0.1 . 1 . . . . 3 VAL CA . 19348 1 7 . 1 1 2 2 VAL CB C 13 32.598 0.1 . 1 . . . . 3 VAL CB . 19348 1 8 . 1 1 2 2 VAL N N 15 120.347 0.07 . 1 . . . . 3 VAL N . 19348 1 9 . 1 1 3 3 PHE H H 1 8.366 0.02 . 1 . . . . 4 PHE H . 19348 1 10 . 1 1 3 3 PHE C C 13 175.900 0.1 . 1 . . . . 4 PHE C . 19348 1 11 . 1 1 3 3 PHE CA C 13 57.899 0.1 . 1 . . . . 4 PHE CA . 19348 1 12 . 1 1 3 3 PHE CB C 13 39.369 0.1 . 1 . . . . 4 PHE CB . 19348 1 13 . 1 1 3 3 PHE N N 15 123.497 0.07 . 1 . . . . 4 PHE N . 19348 1 14 . 1 1 4 4 MET H H 1 8.241 0.02 . 1 . . . . 5 MET H . 19348 1 15 . 1 1 4 4 MET C C 13 176.005 0.1 . 1 . . . . 5 MET C . 19348 1 16 . 1 1 4 4 MET CA C 13 55.291 0.1 . 1 . . . . 5 MET CA . 19348 1 17 . 1 1 4 4 MET CB C 13 32.631 0.1 . 1 . . . . 5 MET CB . 19348 1 18 . 1 1 4 4 MET N N 15 122.267 0.07 . 1 . . . . 5 MET N . 19348 1 19 . 1 1 5 5 LYS H H 1 8.296 0.02 . 1 . . . . 6 LYS H . 19348 1 20 . 1 1 5 5 LYS C C 13 177.160 0.1 . 1 . . . . 6 LYS C . 19348 1 21 . 1 1 5 5 LYS CA C 13 56.897 0.1 . 1 . . . . 6 LYS CA . 19348 1 22 . 1 1 5 5 LYS CB C 13 32.843 0.1 . 1 . . . . 6 LYS CB . 19348 1 23 . 1 1 5 5 LYS N N 15 122.631 0.07 . 1 . . . . 6 LYS N . 19348 1 24 . 1 1 6 6 GLY C C 13 174.208 0.1 . 1 . . . . 7 GLY C . 19348 1 25 . 1 1 6 6 GLY CA C 13 45.348 0.1 . 1 . . . . 7 GLY CA . 19348 1 26 . 1 1 7 7 LEU H H 1 8.080 0.02 . 1 . . . . 8 LEU H . 19348 1 27 . 1 1 7 7 LEU C C 13 177.650 0.1 . 1 . . . . 8 LEU C . 19348 1 28 . 1 1 7 7 LEU CA C 13 55.162 0.1 . 1 . . . . 8 LEU CA . 19348 1 29 . 1 1 7 7 LEU CB C 13 42.519 0.1 . 1 . . . . 8 LEU CB . 19348 1 30 . 1 1 7 7 LEU N N 15 121.597 0.07 . 1 . . . . 8 LEU N . 19348 1 31 . 1 1 8 8 SER H H 1 8.346 0.02 . 1 . . . . 9 SER H . 19348 1 32 . 1 1 8 8 SER C C 13 174.588 0.1 . 1 . . . . 9 SER C . 19348 1 33 . 1 1 8 8 SER CA C 13 58.396 0.1 . 1 . . . . 9 SER CA . 19348 1 34 . 1 1 8 8 SER CB C 13 63.695 0.1 . 1 . . . . 9 SER CB . 19348 1 35 . 1 1 8 8 SER N N 15 116.739 0.07 . 1 . . . . 9 SER N . 19348 1 36 . 1 1 9 9 LYS C C 13 176.691 0.1 . 1 . . . . 10 LYS C . 19348 1 37 . 1 1 9 9 LYS CA C 13 56.166 0.1 . 1 . . . . 10 LYS CA . 19348 1 38 . 1 1 9 9 LYS CB C 13 32.997 0.1 . 1 . . . . 10 LYS CB . 19348 1 39 . 1 1 10 10 ALA H H 1 8.323 0.02 . 1 . . . . 11 ALA H . 19348 1 40 . 1 1 10 10 ALA C C 13 177.916 0.1 . 1 . . . . 11 ALA C . 19348 1 41 . 1 1 10 10 ALA CA C 13 52.679 0.1 . 1 . . . . 11 ALA CA . 19348 1 42 . 1 1 10 10 ALA CB C 13 19.150 0.1 . 1 . . . . 11 ALA CB . 19348 1 43 . 1 1 10 10 ALA N N 15 125.382 0.07 . 1 . . . . 11 ALA N . 19348 1 44 . 1 1 11 11 LYS H H 1 8.367 0.02 . 1 . . . . 12 LYS H . 19348 1 45 . 1 1 11 11 LYS C C 13 176.691 0.1 . 1 . . . . 12 LYS C . 19348 1 46 . 1 1 11 11 LYS CA C 13 56.412 0.1 . 1 . . . . 12 LYS CA . 19348 1 47 . 1 1 11 11 LYS CB C 13 33.072 0.1 . 1 . . . . 12 LYS CB . 19348 1 48 . 1 1 11 11 LYS N N 15 120.931 0.07 . 1 . . . . 12 LYS N . 19348 1 49 . 1 1 12 12 GLU H H 1 8.460 0.02 . 1 . . . . 13 GLU H . 19348 1 50 . 1 1 12 12 GLU N N 15 122.312 0.07 . 1 . . . . 13 GLU N . 19348 1 51 . 1 1 13 13 GLY C C 13 174.034 0.1 . 1 . . . . 14 GLY C . 19348 1 52 . 1 1 13 13 GLY CA C 13 45.305 0.1 . 1 . . . . 14 GLY CA . 19348 1 53 . 1 1 14 14 VAL H H 1 8.004 0.02 . 1 . . . . 15 VAL H . 19348 1 54 . 1 1 14 14 VAL C C 13 176.458 0.1 . 1 . . . . 15 VAL C . 19348 1 55 . 1 1 14 14 VAL CA C 13 62.508 0.1 . 1 . . . . 15 VAL CA . 19348 1 56 . 1 1 14 14 VAL CB C 13 32.722 0.1 . 1 . . . . 15 VAL CB . 19348 1 57 . 1 1 14 14 VAL N N 15 120.180 0.07 . 1 . . . . 15 VAL N . 19348 1 58 . 1 1 15 15 VAL H H 1 8.335 0.02 . 1 . . . . 16 VAL H . 19348 1 59 . 1 1 15 15 VAL C C 13 176.002 0.1 . 1 . . . . 16 VAL C . 19348 1 60 . 1 1 15 15 VAL CA C 13 62.477 0.1 . 1 . . . . 16 VAL CA . 19348 1 61 . 1 1 15 15 VAL CB C 13 32.786 0.1 . 1 . . . . 16 VAL CB . 19348 1 62 . 1 1 15 15 VAL N N 15 125.354 0.07 . 1 . . . . 16 VAL N . 19348 1 63 . 1 1 16 16 ALA H H 1 8.476 0.02 . 1 . . . . 17 ALA H . 19348 1 64 . 1 1 16 16 ALA C C 13 177.672 0.1 . 1 . . . . 17 ALA C . 19348 1 65 . 1 1 16 16 ALA CA C 13 52.533 0.1 . 1 . . . . 17 ALA CA . 19348 1 66 . 1 1 16 16 ALA CB C 13 19.272 0.1 . 1 . . . . 17 ALA CB . 19348 1 67 . 1 1 16 16 ALA N N 15 128.528 0.07 . 1 . . . . 17 ALA N . 19348 1 68 . 1 1 17 17 ALA H H 1 8.342 0.02 . 1 . . . . 18 ALA H . 19348 1 69 . 1 1 17 17 ALA C C 13 177.913 0.1 . 1 . . . . 18 ALA C . 19348 1 70 . 1 1 17 17 ALA CA C 13 52.667 0.1 . 1 . . . . 18 ALA CA . 19348 1 71 . 1 1 17 17 ALA CB C 13 19.137 0.1 . 1 . . . . 18 ALA CB . 19348 1 72 . 1 1 17 17 ALA N N 15 123.742 0.07 . 1 . . . . 18 ALA N . 19348 1 73 . 1 1 18 18 ALA H H 1 8.300 0.02 . 1 . . . . 19 ALA H . 19348 1 74 . 1 1 18 18 ALA C C 13 178.200 0.1 . 1 . . . . 19 ALA C . 19348 1 75 . 1 1 18 18 ALA CA C 13 52.803 0.1 . 1 . . . . 19 ALA CA . 19348 1 76 . 1 1 18 18 ALA CB C 13 19.085 0.1 . 1 . . . . 19 ALA CB . 19348 1 77 . 1 1 18 18 ALA N N 15 123.200 0.07 . 1 . . . . 19 ALA N . 19348 1 78 . 1 1 19 19 GLU H H 1 8.362 0.02 . 1 . . . . 20 GLU H . 19348 1 79 . 1 1 19 19 GLU C C 13 176.944 0.1 . 1 . . . . 20 GLU C . 19348 1 80 . 1 1 19 19 GLU CA C 13 56.818 0.1 . 1 . . . . 20 GLU CA . 19348 1 81 . 1 1 19 19 GLU CB C 13 30.256 0.1 . 1 . . . . 20 GLU CB . 19348 1 82 . 1 1 19 19 GLU N N 15 120.144 0.07 . 1 . . . . 20 GLU N . 19348 1 83 . 1 1 20 20 LYS H H 1 8.368 0.02 . 1 . . . . 21 LYS H . 19348 1 84 . 1 1 20 20 LYS C C 13 177.152 0.1 . 1 . . . . 21 LYS C . 19348 1 85 . 1 1 20 20 LYS CA C 13 56.673 0.1 . 1 . . . . 21 LYS CA . 19348 1 86 . 1 1 20 20 LYS CB C 13 32.898 0.1 . 1 . . . . 21 LYS CB . 19348 1 87 . 1 1 20 20 LYS N N 15 122.321 0.07 . 1 . . . . 21 LYS N . 19348 1 88 . 1 1 21 21 THR H H 1 8.162 0.02 . 1 . . . . 22 THR H . 19348 1 89 . 1 1 21 21 THR C C 13 174.698 0.1 . 1 . . . . 22 THR C . 19348 1 90 . 1 1 21 21 THR CA C 13 62.334 0.1 . 1 . . . . 22 THR CA . 19348 1 91 . 1 1 21 21 THR CB C 13 69.736 0.1 . 1 . . . . 22 THR CB . 19348 1 92 . 1 1 21 21 THR N N 15 115.304 0.07 . 1 . . . . 22 THR N . 19348 1 93 . 1 1 22 22 LYS H H 1 8.376 0.02 . 1 . . . . 23 LYS H . 19348 1 94 . 1 1 22 22 LYS C C 13 176.686 0.1 . 1 . . . . 23 LYS C . 19348 1 95 . 1 1 22 22 LYS CA C 13 56.859 0.1 . 1 . . . . 23 LYS CA . 19348 1 96 . 1 1 22 22 LYS CB C 13 32.910 0.1 . 1 . . . . 23 LYS CB . 19348 1 97 . 1 1 22 22 LYS N N 15 123.825 0.07 . 1 . . . . 23 LYS N . 19348 1 98 . 1 1 23 23 GLN H H 1 8.452 0.02 . 1 . . . . 24 GLN H . 19348 1 99 . 1 1 23 23 GLN C C 13 176.606 0.1 . 1 . . . . 24 GLN C . 19348 1 100 . 1 1 23 23 GLN CA C 13 56.337 0.1 . 1 . . . . 24 GLN CA . 19348 1 101 . 1 1 23 23 GLN CB C 13 29.601 0.1 . 1 . . . . 24 GLN CB . 19348 1 102 . 1 1 23 23 GLN N N 15 121.816 0.07 . 1 . . . . 24 GLN N . 19348 1 103 . 1 1 24 24 GLY H H 1 8.518 0.02 . 1 . . . . 25 GLY H . 19348 1 104 . 1 1 24 24 GLY C C 13 174.262 0.1 . 1 . . . . 25 GLY C . 19348 1 105 . 1 1 24 24 GLY CA C 13 45.177 0.1 . 1 . . . . 25 GLY CA . 19348 1 106 . 1 1 24 24 GLY N N 15 110.579 0.07 . 1 . . . . 25 GLY N . 19348 1 107 . 1 1 25 25 VAL H H 1 8.045 0.02 . 1 . . . . 26 VAL H . 19348 1 108 . 1 1 25 25 VAL C C 13 176.375 0.1 . 1 . . . . 26 VAL C . 19348 1 109 . 1 1 25 25 VAL CA C 13 62.597 0.1 . 1 . . . . 26 VAL CA . 19348 1 110 . 1 1 25 25 VAL CB C 13 32.803 0.1 . 1 . . . . 26 VAL CB . 19348 1 111 . 1 1 25 25 VAL N N 15 119.862 0.07 . 1 . . . . 26 VAL N . 19348 1 112 . 1 1 26 26 ALA H H 1 8.458 0.02 . 1 . . . . 27 ALA H . 19348 1 113 . 1 1 26 26 ALA C C 13 178.131 0.1 . 1 . . . . 27 ALA C . 19348 1 114 . 1 1 26 26 ALA CA C 13 52.797 0.1 . 1 . . . . 27 ALA CA . 19348 1 115 . 1 1 26 26 ALA CB C 13 19.044 0.1 . 1 . . . . 27 ALA CB . 19348 1 116 . 1 1 26 26 ALA N N 15 127.467 0.07 . 1 . . . . 27 ALA N . 19348 1 117 . 1 1 27 27 GLU H H 1 8.436 0.02 . 1 . . . . 28 GLU H . 19348 1 118 . 1 1 27 27 GLU C C 13 176.672 0.1 . 1 . . . . 28 GLU C . 19348 1 119 . 1 1 27 27 GLU CA C 13 56.847 0.1 . 1 . . . . 28 GLU CA . 19348 1 120 . 1 1 27 27 GLU CB C 13 30.192 0.1 . 1 . . . . 28 GLU CB . 19348 1 121 . 1 1 27 27 GLU N N 15 120.627 0.07 . 1 . . . . 28 GLU N . 19348 1 122 . 1 1 28 28 ALA H H 1 8.328 0.02 . 1 . . . . 29 ALA H . 19348 1 123 . 1 1 28 28 ALA C C 13 177.747 0.1 . 1 . . . . 29 ALA C . 19348 1 124 . 1 1 28 28 ALA CA C 13 52.625 0.1 . 1 . . . . 29 ALA CA . 19348 1 125 . 1 1 28 28 ALA CB C 13 19.225 0.1 . 1 . . . . 29 ALA CB . 19348 1 126 . 1 1 28 28 ALA N N 15 125.006 0.07 . 1 . . . . 29 ALA N . 19348 1 127 . 1 1 29 29 ALA H H 1 8.263 0.02 . 1 . . . . 30 ALA H . 19348 1 128 . 1 1 29 29 ALA C C 13 178.472 0.1 . 1 . . . . 30 ALA C . 19348 1 129 . 1 1 29 29 ALA CA C 13 52.868 0.1 . 1 . . . . 30 ALA CA . 19348 1 130 . 1 1 29 29 ALA CB C 13 19.078 0.1 . 1 . . . . 30 ALA CB . 19348 1 131 . 1 1 29 29 ALA N N 15 123.102 0.07 . 1 . . . . 30 ALA N . 19348 1 132 . 1 1 30 30 GLY H H 1 8.346 0.02 . 1 . . . . 31 GLY H . 19348 1 133 . 1 1 30 30 GLY C C 13 174.217 0.1 . 1 . . . . 31 GLY C . 19348 1 134 . 1 1 30 30 GLY CA C 13 45.344 0.1 . 1 . . . . 31 GLY CA . 19348 1 135 . 1 1 30 30 GLY N N 15 107.839 0.07 . 1 . . . . 31 GLY N . 19348 1 136 . 1 1 31 31 LYS H H 1 8.142 0.02 . 1 . . . . 32 LYS H . 19348 1 137 . 1 1 31 31 LYS C C 13 177.016 0.1 . 1 . . . . 32 LYS C . 19348 1 138 . 1 1 31 31 LYS CA C 13 56.280 0.1 . 1 . . . . 32 LYS CA . 19348 1 139 . 1 1 31 31 LYS CB C 13 33.175 0.1 . 1 . . . . 32 LYS CB . 19348 1 140 . 1 1 31 31 LYS N N 15 120.759 0.07 . 1 . . . . 32 LYS N . 19348 1 141 . 1 1 32 32 THR H H 1 8.259 0.02 . 1 . . . . 33 THR H . 19348 1 142 . 1 1 32 32 THR C C 13 174.670 0.1 . 1 . . . . 33 THR C . 19348 1 143 . 1 1 32 32 THR CA C 13 61.811 0.1 . 1 . . . . 33 THR CA . 19348 1 144 . 1 1 32 32 THR CB C 13 69.910 0.1 . 1 . . . . 33 THR CB . 19348 1 145 . 1 1 32 32 THR N N 15 115.631 0.07 . 1 . . . . 33 THR N . 19348 1 146 . 1 1 33 33 LYS H H 1 8.489 0.02 . 1 . . . . 34 LYS H . 19348 1 147 . 1 1 33 33 LYS C C 13 176.489 0.1 . 1 . . . . 34 LYS C . 19348 1 148 . 1 1 33 33 LYS CA C 13 56.586 0.1 . 1 . . . . 34 LYS CA . 19348 1 149 . 1 1 33 33 LYS CB C 13 33.159 0.1 . 1 . . . . 34 LYS CB . 19348 1 150 . 1 1 33 33 LYS N N 15 123.877 0.07 . 1 . . . . 34 LYS N . 19348 1 151 . 1 1 34 34 GLU H H 1 8.471 0.02 . 1 . . . . 35 GLU H . 19348 1 152 . 1 1 34 34 GLU C C 13 176.950 0.1 . 1 . . . . 35 GLU C . 19348 1 153 . 1 1 34 34 GLU CA C 13 56.946 0.1 . 1 . . . . 35 GLU CA . 19348 1 154 . 1 1 34 34 GLU CB C 13 30.210 0.1 . 1 . . . . 35 GLU CB . 19348 1 155 . 1 1 34 34 GLU N N 15 122.202 0.07 . 1 . . . . 35 GLU N . 19348 1 156 . 1 1 35 35 GLY H H 1 8.465 0.02 . 1 . . . . 36 GLY H . 19348 1 157 . 1 1 35 35 GLY C C 13 174.027 0.1 . 1 . . . . 36 GLY C . 19348 1 158 . 1 1 35 35 GLY CA C 13 45.264 0.1 . 1 . . . . 36 GLY CA . 19348 1 159 . 1 1 35 35 GLY N N 15 110.060 0.07 . 1 . . . . 36 GLY N . 19348 1 160 . 1 1 36 36 VAL H H 1 7.936 0.02 . 1 . . . . 37 VAL H . 19348 1 161 . 1 1 36 36 VAL C C 13 175.920 0.1 . 1 . . . . 37 VAL C . 19348 1 162 . 1 1 36 36 VAL CA C 13 62.334 0.1 . 1 . . . . 37 VAL CA . 19348 1 163 . 1 1 36 36 VAL CB C 13 32.811 0.1 . 1 . . . . 37 VAL CB . 19348 1 164 . 1 1 36 36 VAL N N 15 119.602 0.07 . 1 . . . . 37 VAL N . 19348 1 165 . 1 1 37 37 LEU H H 1 8.313 0.02 . 1 . . . . 38 LEU H . 19348 1 166 . 1 1 37 37 LEU C C 13 176.657 0.1 . 1 . . . . 38 LEU C . 19348 1 167 . 1 1 37 37 LEU CA C 13 54.958 0.1 . 1 . . . . 38 LEU CA . 19348 1 168 . 1 1 37 37 LEU CB C 13 42.565 0.1 . 1 . . . . 38 LEU CB . 19348 1 169 . 1 1 37 37 LEU N N 15 125.875 0.07 . 1 . . . . 38 LEU N . 19348 1 170 . 1 1 38 38 TYR H H 1 8.297 0.02 . 1 . . . . 39 TYR H . 19348 1 171 . 1 1 38 38 TYR C C 13 175.590 0.1 . 1 . . . . 39 TYR C . 19348 1 172 . 1 1 38 38 TYR CA C 13 57.805 0.1 . 1 . . . . 39 TYR CA . 19348 1 173 . 1 1 38 38 TYR CB C 13 38.839 0.1 . 1 . . . . 39 TYR CB . 19348 1 174 . 1 1 38 38 TYR N N 15 122.518 0.07 . 1 . . . . 39 TYR N . 19348 1 175 . 1 1 39 39 VAL H H 1 8.113 0.02 . 1 . . . . 40 VAL H . 19348 1 176 . 1 1 39 39 VAL C C 13 176.161 0.1 . 1 . . . . 40 VAL C . 19348 1 177 . 1 1 39 39 VAL CA C 13 62.184 0.1 . 1 . . . . 40 VAL CA . 19348 1 178 . 1 1 39 39 VAL CB C 13 32.841 0.1 . 1 . . . . 40 VAL CB . 19348 1 179 . 1 1 39 39 VAL N N 15 123.368 0.07 . 1 . . . . 40 VAL N . 19348 1 180 . 1 1 40 40 GLY H H 1 8.078 0.02 . 1 . . . . 41 GLY H . 19348 1 181 . 1 1 40 40 GLY C C 13 173.949 0.1 . 1 . . . . 41 GLY C . 19348 1 182 . 1 1 40 40 GLY CA C 13 45.177 0.1 . 1 . . . . 41 GLY CA . 19348 1 183 . 1 1 40 40 GLY N N 15 112.208 0.07 . 1 . . . . 41 GLY N . 19348 1 184 . 1 1 41 41 SER C C 13 174.779 0.1 . 1 . . . . 42 SER C . 19348 1 185 . 1 1 41 41 SER CA C 13 58.388 0.1 . 1 . . . . 42 SER CA . 19348 1 186 . 1 1 41 41 SER CB C 13 63.831 0.1 . 1 . . . . 42 SER CB . 19348 1 187 . 1 1 42 42 LYS H H 1 8.511 0.02 . 1 . . . . 43 LYS H . 19348 1 188 . 1 1 42 42 LYS C C 13 176.869 0.1 . 1 . . . . 43 LYS C . 19348 1 189 . 1 1 42 42 LYS CA C 13 56.596 0.1 . 1 . . . . 43 LYS CA . 19348 1 190 . 1 1 42 42 LYS CB C 13 33.052 0.1 . 1 . . . . 43 LYS CB . 19348 1 191 . 1 1 42 42 LYS N N 15 123.491 0.07 . 1 . . . . 43 LYS N . 19348 1 192 . 1 1 43 43 THR H H 1 8.212 0.02 . 1 . . . . 44 THR H . 19348 1 193 . 1 1 43 43 THR C C 13 174.600 0.1 . 1 . . . . 44 THR C . 19348 1 194 . 1 1 43 43 THR CA C 13 61.851 0.1 . 1 . . . . 44 THR CA . 19348 1 195 . 1 1 43 43 THR CB C 13 69.910 0.1 . 1 . . . . 44 THR CB . 19348 1 196 . 1 1 43 43 THR N N 15 115.526 0.07 . 1 . . . . 44 THR N . 19348 1 197 . 1 1 44 44 LYS H H 1 8.460 0.02 . 1 . . . . 45 LYS H . 19348 1 198 . 1 1 44 44 LYS C C 13 176.489 0.1 . 1 . . . . 45 LYS C . 19348 1 199 . 1 1 44 44 LYS CA C 13 56.412 0.1 . 1 . . . . 45 LYS CA . 19348 1 200 . 1 1 44 44 LYS CB C 13 33.159 0.1 . 1 . . . . 45 LYS CB . 19348 1 201 . 1 1 44 44 LYS N N 15 123.865 0.07 . 1 . . . . 45 LYS N . 19348 1 202 . 1 1 45 45 GLU H H 1 8.489 0.02 . 1 . . . . 46 GLU H . 19348 1 203 . 1 1 45 45 GLU C C 13 176.922 0.1 . 1 . . . . 46 GLU C . 19348 1 204 . 1 1 45 45 GLU N N 15 122.221 0.07 . 1 . . . . 46 GLU N . 19348 1 205 . 1 1 46 46 GLY H H 1 8.495 0.02 . 1 . . . . 47 GLY H . 19348 1 206 . 1 1 46 46 GLY C C 13 173.859 0.1 . 1 . . . . 47 GLY C . 19348 1 207 . 1 1 46 46 GLY CA C 13 45.274 0.1 . 1 . . . . 47 GLY CA . 19348 1 208 . 1 1 46 46 GLY N N 15 110.234 0.07 . 1 . . . . 47 GLY N . 19348 1 209 . 1 1 47 47 VAL H H 1 7.941 0.02 . 1 . . . . 48 VAL H . 19348 1 210 . 1 1 47 47 VAL C C 13 176.008 0.1 . 1 . . . . 48 VAL C . 19348 1 211 . 1 1 47 47 VAL CA C 13 62.246 0.1 . 1 . . . . 48 VAL CA . 19348 1 212 . 1 1 47 47 VAL CB C 13 32.985 0.1 . 1 . . . . 48 VAL CB . 19348 1 213 . 1 1 47 47 VAL N N 15 120.002 0.07 . 1 . . . . 48 VAL N . 19348 1 214 . 1 1 48 48 VAL H H 1 8.318 0.02 . 1 . . . . 49 VAL H . 19348 1 215 . 1 1 48 48 VAL C C 13 175.859 0.1 . 1 . . . . 49 VAL C . 19348 1 216 . 1 1 48 48 VAL CA C 13 62.169 0.1 . 1 . . . . 49 VAL CA . 19348 1 217 . 1 1 48 48 VAL CB C 13 32.821 0.1 . 1 . . . . 49 VAL CB . 19348 1 218 . 1 1 48 48 VAL N N 15 125.273 0.07 . 1 . . . . 49 VAL N . 19348 1 219 . 1 1 49 49 HIS H H 1 8.514 0.02 . 1 . . . . 50 HIS H . 19348 1 220 . 1 1 49 49 HIS C C 13 175.841 0.1 . 1 . . . . 50 HIS C . 19348 1 221 . 1 1 49 49 HIS CA C 13 56.322 0.1 . 1 . . . . 50 HIS CA . 19348 1 222 . 1 1 49 49 HIS CB C 13 31.154 0.1 . 1 . . . . 50 HIS CB . 19348 1 223 . 1 1 49 49 HIS N N 15 124.849 0.07 . 1 . . . . 50 HIS N . 19348 1 224 . 1 1 50 50 GLY H H 1 8.437 0.02 . 1 . . . . 51 GLY H . 19348 1 225 . 1 1 50 50 GLY C C 13 173.841 0.1 . 1 . . . . 51 GLY C . 19348 1 226 . 1 1 50 50 GLY CA C 13 45.003 0.1 . 1 . . . . 51 GLY CA . 19348 1 227 . 1 1 50 50 GLY N N 15 110.704 0.07 . 1 . . . . 51 GLY N . 19348 1 228 . 1 1 51 51 VAL H H 1 8.127 0.02 . 1 . . . . 52 VAL H . 19348 1 229 . 1 1 51 51 VAL C C 13 176.542 0.1 . 1 . . . . 52 VAL C . 19348 1 230 . 1 1 51 51 VAL CA C 13 62.320 0.1 . 1 . . . . 52 VAL CA . 19348 1 231 . 1 1 51 51 VAL CB C 13 32.958 0.1 . 1 . . . . 52 VAL CB . 19348 1 232 . 1 1 51 51 VAL N N 15 119.633 0.07 . 1 . . . . 52 VAL N . 19348 1 233 . 1 1 52 52 THR H H 1 8.432 0.02 . 1 . . . . 53 THR H . 19348 1 234 . 1 1 52 52 THR C C 13 174.551 0.1 . 1 . . . . 53 THR C . 19348 1 235 . 1 1 52 52 THR CA C 13 61.928 0.1 . 1 . . . . 53 THR CA . 19348 1 236 . 1 1 52 52 THR CB C 13 69.731 0.1 . 1 . . . . 53 THR CB . 19348 1 237 . 1 1 52 52 THR N N 15 118.920 0.07 . 1 . . . . 53 THR N . 19348 1 238 . 1 1 53 53 THR H H 1 8.298 0.02 . 1 . . . . 54 THR H . 19348 1 239 . 1 1 53 53 THR C C 13 174.372 0.1 . 1 . . . . 54 THR C . 19348 1 240 . 1 1 53 53 THR CA C 13 61.847 0.1 . 1 . . . . 54 THR CA . 19348 1 241 . 1 1 53 53 THR CB C 13 69.906 0.1 . 1 . . . . 54 THR CB . 19348 1 242 . 1 1 53 53 THR N N 15 117.899 0.07 . 1 . . . . 54 THR N . 19348 1 243 . 1 1 54 54 VAL H H 1 8.289 0.02 . 1 . . . . 55 VAL H . 19348 1 244 . 1 1 54 54 VAL C C 13 175.876 0.1 . 1 . . . . 55 VAL C . 19348 1 245 . 1 1 54 54 VAL CA C 13 62.246 0.1 . 1 . . . . 55 VAL CA . 19348 1 246 . 1 1 54 54 VAL CB C 13 32.898 0.1 . 1 . . . . 55 VAL CB . 19348 1 247 . 1 1 54 54 VAL N N 15 123.237 0.07 . 1 . . . . 55 VAL N . 19348 1 248 . 1 1 55 55 ALA H H 1 8.454 0.02 . 1 . . . . 56 ALA H . 19348 1 249 . 1 1 55 55 ALA C C 13 177.779 0.1 . 1 . . . . 56 ALA C . 19348 1 250 . 1 1 55 55 ALA CA C 13 52.592 0.1 . 1 . . . . 56 ALA CA . 19348 1 251 . 1 1 55 55 ALA CB C 13 19.150 0.1 . 1 . . . . 56 ALA CB . 19348 1 252 . 1 1 55 55 ALA N N 15 128.257 0.07 . 1 . . . . 56 ALA N . 19348 1 253 . 1 1 56 56 GLU H H 1 8.410 0.02 . 1 . . . . 57 GLU H . 19348 1 254 . 1 1 56 56 GLU C C 13 176.710 0.1 . 1 . . . . 57 GLU C . 19348 1 255 . 1 1 56 56 GLU CA C 13 56.646 0.1 . 1 . . . . 57 GLU CA . 19348 1 256 . 1 1 56 56 GLU CB C 13 30.455 0.1 . 1 . . . . 57 GLU CB . 19348 1 257 . 1 1 56 56 GLU N N 15 120.928 0.07 . 1 . . . . 57 GLU N . 19348 1 258 . 1 1 57 57 LYS H H 1 8.455 0.02 . 1 . . . . 58 LYS H . 19348 1 259 . 1 1 57 57 LYS C C 13 176.971 0.1 . 1 . . . . 58 LYS C . 19348 1 260 . 1 1 57 57 LYS CA C 13 56.586 0.1 . 1 . . . . 58 LYS CA . 19348 1 261 . 1 1 57 57 LYS CB C 13 33.072 0.1 . 1 . . . . 58 LYS CB . 19348 1 262 . 1 1 57 57 LYS N N 15 122.893 0.07 . 1 . . . . 58 LYS N . 19348 1 263 . 1 1 58 58 THR H H 1 8.243 0.02 . 1 . . . . 59 THR H . 19348 1 264 . 1 1 58 58 THR C C 13 174.646 0.1 . 1 . . . . 59 THR C . 19348 1 265 . 1 1 58 58 THR CA C 13 62.087 0.1 . 1 . . . . 59 THR CA . 19348 1 266 . 1 1 58 58 THR CB C 13 69.768 0.1 . 1 . . . . 59 THR CB . 19348 1 267 . 1 1 58 58 THR N N 15 115.977 0.07 . 1 . . . . 59 THR N . 19348 1 268 . 1 1 59 59 LYS H H 1 8.415 0.02 . 1 . . . . 60 LYS H . 19348 1 269 . 1 1 59 59 LYS C C 13 176.681 0.1 . 1 . . . . 60 LYS C . 19348 1 270 . 1 1 59 59 LYS CA C 13 56.499 0.1 . 1 . . . . 60 LYS CA . 19348 1 271 . 1 1 59 59 LYS CB C 13 32.985 0.1 . 1 . . . . 60 LYS CB . 19348 1 272 . 1 1 59 59 LYS N N 15 123.749 0.07 . 1 . . . . 60 LYS N . 19348 1 273 . 1 1 60 60 GLU C C 13 176.427 0.1 . 1 . . . . 61 GLU C . 19348 1 274 . 1 1 61 61 GLN H H 1 8.452 0.02 . 1 . . . . 62 GLN H . 19348 1 275 . 1 1 61 61 GLN C C 13 175.972 0.1 . 1 . . . . 62 GLN C . 19348 1 276 . 1 1 61 61 GLN CA C 13 55.899 0.1 . 1 . . . . 62 GLN CA . 19348 1 277 . 1 1 61 61 GLN CB C 13 29.512 0.1 . 1 . . . . 62 GLN CB . 19348 1 278 . 1 1 61 61 GLN N N 15 121.816 0.07 . 1 . . . . 62 GLN N . 19348 1 279 . 1 1 62 62 VAL H H 1 8.315 0.02 . 1 . . . . 63 VAL H . 19348 1 280 . 1 1 62 62 VAL C C 13 176.341 0.1 . 1 . . . . 63 VAL C . 19348 1 281 . 1 1 62 62 VAL CA C 13 62.334 0.1 . 1 . . . . 63 VAL CA . 19348 1 282 . 1 1 62 62 VAL CB C 13 32.898 0.1 . 1 . . . . 63 VAL CB . 19348 1 283 . 1 1 62 62 VAL N N 15 122.001 0.07 . 1 . . . . 63 VAL N . 19348 1 284 . 1 1 63 63 THR H H 1 8.329 0.02 . 1 . . . . 64 THR H . 19348 1 285 . 1 1 63 63 THR C C 13 174.057 0.1 . 1 . . . . 64 THR C . 19348 1 286 . 1 1 63 63 THR CA C 13 61.877 0.1 . 1 . . . . 64 THR CA . 19348 1 287 . 1 1 63 63 THR CB C 13 69.823 0.1 . 1 . . . . 64 THR CB . 19348 1 288 . 1 1 63 63 THR N N 15 118.144 0.07 . 1 . . . . 64 THR N . 19348 1 289 . 1 1 64 64 ASN H H 1 8.552 0.02 . 1 . . . . 65 ASN H . 19348 1 290 . 1 1 64 64 ASN C C 13 175.247 0.1 . 1 . . . . 65 ASN C . 19348 1 291 . 1 1 64 64 ASN CA C 13 53.134 0.1 . 1 . . . . 65 ASN CA . 19348 1 292 . 1 1 64 64 ASN CB C 13 38.935 0.1 . 1 . . . . 65 ASN CB . 19348 1 293 . 1 1 64 64 ASN N N 15 121.877 0.07 . 1 . . . . 65 ASN N . 19348 1 294 . 1 1 65 65 VAL H H 1 8.271 0.02 . 1 . . . . 66 VAL H . 19348 1 295 . 1 1 65 65 VAL C C 13 176.862 0.1 . 1 . . . . 66 VAL C . 19348 1 296 . 1 1 65 65 VAL CA C 13 62.716 0.1 . 1 . . . . 66 VAL CA . 19348 1 297 . 1 1 65 65 VAL CB C 13 32.521 0.1 . 1 . . . . 66 VAL CB . 19348 1 298 . 1 1 65 65 VAL N N 15 120.776 0.07 . 1 . . . . 66 VAL N . 19348 1 299 . 1 1 66 66 GLY H H 1 8.587 0.02 . 1 . . . . 67 GLY H . 19348 1 300 . 1 1 66 66 GLY C C 13 174.674 0.1 . 1 . . . . 67 GLY C . 19348 1 301 . 1 1 66 66 GLY CA C 13 45.351 0.1 . 1 . . . . 67 GLY CA . 19348 1 302 . 1 1 66 66 GLY N N 15 112.677 0.07 . 1 . . . . 67 GLY N . 19348 1 303 . 1 1 67 67 GLY H H 1 8.264 0.02 . 1 . . . . 68 GLY H . 19348 1 304 . 1 1 67 67 GLY C C 13 173.738 0.1 . 1 . . . . 68 GLY C . 19348 1 305 . 1 1 67 67 GLY CA C 13 45.090 0.1 . 1 . . . . 68 GLY CA . 19348 1 306 . 1 1 67 67 GLY N N 15 108.879 0.07 . 1 . . . . 68 GLY N . 19348 1 307 . 1 1 68 68 ALA H H 1 8.194 0.02 . 1 . . . . 69 ALA H . 19348 1 308 . 1 1 68 68 ALA C C 13 177.660 0.1 . 1 . . . . 69 ALA C . 19348 1 309 . 1 1 68 68 ALA CA C 13 52.318 0.1 . 1 . . . . 69 ALA CA . 19348 1 310 . 1 1 68 68 ALA CB C 13 19.401 0.1 . 1 . . . . 69 ALA CB . 19348 1 311 . 1 1 68 68 ALA N N 15 123.836 0.07 . 1 . . . . 69 ALA N . 19348 1 312 . 1 1 69 69 VAL H H 1 8.245 0.02 . 1 . . . . 70 VAL H . 19348 1 313 . 1 1 69 69 VAL C C 13 176.336 0.1 . 1 . . . . 70 VAL C . 19348 1 314 . 1 1 69 69 VAL CA C 13 62.454 0.1 . 1 . . . . 70 VAL CA . 19348 1 315 . 1 1 69 69 VAL CB C 13 32.701 0.1 . 1 . . . . 70 VAL CB . 19348 1 316 . 1 1 69 69 VAL N N 15 120.537 0.07 . 1 . . . . 70 VAL N . 19348 1 317 . 1 1 70 70 VAL H H 1 8.420 0.02 . 1 . . . . 71 VAL H . 19348 1 318 . 1 1 70 70 VAL C C 13 176.276 0.1 . 1 . . . . 71 VAL C . 19348 1 319 . 1 1 70 70 VAL CA C 13 62.203 0.1 . 1 . . . . 71 VAL CA . 19348 1 320 . 1 1 70 70 VAL CB C 13 32.777 0.1 . 1 . . . . 71 VAL CB . 19348 1 321 . 1 1 70 70 VAL N N 15 125.445 0.07 . 1 . . . . 71 VAL N . 19348 1 322 . 1 1 71 71 THR H H 1 8.335 0.02 . 1 . . . . 72 THR H . 19348 1 323 . 1 1 71 71 THR C C 13 174.916 0.1 . 1 . . . . 72 THR C . 19348 1 324 . 1 1 71 71 THR CA C 13 61.898 0.1 . 1 . . . . 72 THR CA . 19348 1 325 . 1 1 71 71 THR CB C 13 69.910 0.1 . 1 . . . . 72 THR CB . 19348 1 326 . 1 1 71 71 THR N N 15 118.684 0.07 . 1 . . . . 72 THR N . 19348 1 327 . 1 1 72 72 GLY H H 1 8.468 0.02 . 1 . . . . 73 GLY H . 19348 1 328 . 1 1 72 72 GLY C C 13 174.028 0.1 . 1 . . . . 73 GLY C . 19348 1 329 . 1 1 72 72 GLY CA C 13 45.275 0.1 . 1 . . . . 73 GLY CA . 19348 1 330 . 1 1 72 72 GLY N N 15 111.402 0.07 . 1 . . . . 73 GLY N . 19348 1 331 . 1 1 73 73 VAL H H 1 8.112 0.02 . 1 . . . . 74 VAL H . 19348 1 332 . 1 1 73 73 VAL C C 13 176.560 0.1 . 1 . . . . 74 VAL C . 19348 1 333 . 1 1 73 73 VAL CA C 13 62.419 0.1 . 1 . . . . 74 VAL CA . 19348 1 334 . 1 1 73 73 VAL CB C 13 32.881 0.1 . 1 . . . . 74 VAL CB . 19348 1 335 . 1 1 73 73 VAL N N 15 119.584 0.07 . 1 . . . . 74 VAL N . 19348 1 336 . 1 1 74 74 THR H H 1 8.326 0.02 . 1 . . . . 75 THR H . 19348 1 337 . 1 1 74 74 THR C C 13 174.084 0.1 . 1 . . . . 75 THR C . 19348 1 338 . 1 1 74 74 THR CA C 13 61.898 0.1 . 1 . . . . 75 THR CA . 19348 1 339 . 1 1 74 74 THR CB C 13 69.910 0.1 . 1 . . . . 75 THR CB . 19348 1 340 . 1 1 74 74 THR N N 15 118.974 0.07 . 1 . . . . 75 THR N . 19348 1 341 . 1 1 75 75 ALA H H 1 8.399 0.02 . 1 . . . . 76 ALA H . 19348 1 342 . 1 1 75 75 ALA C C 13 177.576 0.1 . 1 . . . . 76 ALA C . 19348 1 343 . 1 1 75 75 ALA CA C 13 52.473 0.1 . 1 . . . . 76 ALA CA . 19348 1 344 . 1 1 75 75 ALA CB C 13 19.319 0.1 . 1 . . . . 76 ALA CB . 19348 1 345 . 1 1 75 75 ALA N N 15 127.451 0.07 . 1 . . . . 76 ALA N . 19348 1 346 . 1 1 76 76 VAL H H 1 8.168 0.02 . 1 . . . . 77 VAL H . 19348 1 347 . 1 1 76 76 VAL C C 13 176.023 0.1 . 1 . . . . 77 VAL C . 19348 1 348 . 1 1 76 76 VAL CA C 13 62.205 0.1 . 1 . . . . 77 VAL CA . 19348 1 349 . 1 1 76 76 VAL CB C 13 32.801 0.1 . 1 . . . . 77 VAL CB . 19348 1 350 . 1 1 76 76 VAL N N 15 120.116 0.07 . 1 . . . . 77 VAL N . 19348 1 351 . 1 1 77 77 ALA H H 1 8.435 0.02 . 1 . . . . 78 ALA H . 19348 1 352 . 1 1 77 77 ALA C C 13 177.637 0.1 . 1 . . . . 78 ALA C . 19348 1 353 . 1 1 77 77 ALA CA C 13 52.592 0.1 . 1 . . . . 78 ALA CA . 19348 1 354 . 1 1 77 77 ALA CB C 13 19.150 0.1 . 1 . . . . 78 ALA CB . 19348 1 355 . 1 1 77 77 ALA N N 15 128.202 0.07 . 1 . . . . 78 ALA N . 19348 1 356 . 1 1 78 78 GLN H H 1 8.418 0.02 . 1 . . . . 79 GLN H . 19348 1 357 . 1 1 78 78 GLN C C 13 175.953 0.1 . 1 . . . . 79 GLN C . 19348 1 358 . 1 1 78 78 GLN CA C 13 55.727 0.1 . 1 . . . . 79 GLN CA . 19348 1 359 . 1 1 78 78 GLN CB C 13 29.688 0.1 . 1 . . . . 79 GLN CB . 19348 1 360 . 1 1 78 78 GLN N N 15 120.384 0.07 . 1 . . . . 79 GLN N . 19348 1 361 . 1 1 79 79 LYS H H 1 8.464 0.02 . 1 . . . . 80 LYS H . 19348 1 362 . 1 1 79 79 LYS C C 13 176.690 0.1 . 1 . . . . 80 LYS C . 19348 1 363 . 1 1 79 79 LYS CA C 13 56.237 0.1 . 1 . . . . 80 LYS CA . 19348 1 364 . 1 1 79 79 LYS CB C 13 33.159 0.1 . 1 . . . . 80 LYS CB . 19348 1 365 . 1 1 79 79 LYS N N 15 123.315 0.07 . 1 . . . . 80 LYS N . 19348 1 366 . 1 1 80 80 THR H H 1 8.319 0.02 . 1 . . . . 81 THR H . 19348 1 367 . 1 1 80 80 THR C C 13 174.445 0.1 . 1 . . . . 81 THR C . 19348 1 368 . 1 1 80 80 THR CA C 13 61.898 0.1 . 1 . . . . 81 THR CA . 19348 1 369 . 1 1 80 80 THR CB C 13 69.823 0.1 . 1 . . . . 81 THR CB . 19348 1 370 . 1 1 80 80 THR N N 15 116.961 0.07 . 1 . . . . 81 THR N . 19348 1 371 . 1 1 81 81 VAL H H 1 8.328 0.02 . 1 . . . . 82 VAL H . 19348 1 372 . 1 1 81 81 VAL C C 13 176.156 0.1 . 1 . . . . 82 VAL C . 19348 1 373 . 1 1 81 81 VAL CA C 13 62.333 0.1 . 1 . . . . 82 VAL CA . 19348 1 374 . 1 1 81 81 VAL CB C 13 32.816 0.1 . 1 . . . . 82 VAL CB . 19348 1 375 . 1 1 81 81 VAL N N 15 123.099 0.07 . 1 . . . . 82 VAL N . 19348 1 376 . 1 1 82 82 GLU H H 1 8.609 0.02 . 1 . . . . 83 GLU H . 19348 1 377 . 1 1 82 82 GLU C C 13 177.043 0.1 . 1 . . . . 83 GLU C . 19348 1 378 . 1 1 82 82 GLU CA C 13 56.758 0.1 . 1 . . . . 83 GLU CA . 19348 1 379 . 1 1 82 82 GLU CB C 13 30.370 0.1 . 1 . . . . 83 GLU CB . 19348 1 380 . 1 1 82 82 GLU N N 15 125.401 0.07 . 1 . . . . 83 GLU N . 19348 1 381 . 1 1 83 83 GLY H H 1 8.544 0.02 . 1 . . . . 84 GLY H . 19348 1 382 . 1 1 83 83 GLY C C 13 174.160 0.1 . 1 . . . . 84 GLY C . 19348 1 383 . 1 1 83 83 GLY CA C 13 45.351 0.1 . 1 . . . . 84 GLY CA . 19348 1 384 . 1 1 83 83 GLY N N 15 110.773 0.07 . 1 . . . . 84 GLY N . 19348 1 385 . 1 1 84 84 ALA H H 1 8.289 0.02 . 1 . . . . 85 ALA H . 19348 1 386 . 1 1 84 84 ALA C C 13 178.497 0.1 . 1 . . . . 85 ALA C . 19348 1 387 . 1 1 84 84 ALA CA C 13 52.754 0.1 . 1 . . . . 85 ALA CA . 19348 1 388 . 1 1 84 84 ALA CB C 13 19.312 0.1 . 1 . . . . 85 ALA CB . 19348 1 389 . 1 1 84 84 ALA N N 15 123.989 0.07 . 1 . . . . 85 ALA N . 19348 1 390 . 1 1 85 85 GLY H H 1 8.522 0.02 . 1 . . . . 86 GLY H . 19348 1 391 . 1 1 85 85 GLY C C 13 174.310 0.1 . 1 . . . . 86 GLY C . 19348 1 392 . 1 1 85 85 GLY CA C 13 45.177 0.1 . 1 . . . . 86 GLY CA . 19348 1 393 . 1 1 85 85 GLY N N 15 108.235 0.07 . 1 . . . . 86 GLY N . 19348 1 394 . 1 1 86 86 SER H H 1 8.177 0.02 . 1 . . . . 87 SER H . 19348 1 395 . 1 1 86 86 SER C C 13 174.725 0.1 . 1 . . . . 87 SER C . 19348 1 396 . 1 1 86 86 SER CA C 13 58.326 0.1 . 1 . . . . 87 SER CA . 19348 1 397 . 1 1 86 86 SER CB C 13 63.899 0.1 . 1 . . . . 87 SER CB . 19348 1 398 . 1 1 86 86 SER N N 15 115.743 0.07 . 1 . . . . 87 SER N . 19348 1 399 . 1 1 87 87 ILE H H 1 8.221 0.02 . 1 . . . . 88 ILE H . 19348 1 400 . 1 1 87 87 ILE C C 13 176.276 0.1 . 1 . . . . 88 ILE C . 19348 1 401 . 1 1 87 87 ILE CA C 13 61.371 0.1 . 1 . . . . 88 ILE CA . 19348 1 402 . 1 1 87 87 ILE CB C 13 38.624 0.1 . 1 . . . . 88 ILE CB . 19348 1 403 . 1 1 87 87 ILE N N 15 122.821 0.07 . 1 . . . . 88 ILE N . 19348 1 404 . 1 1 88 88 ALA H H 1 8.374 0.02 . 1 . . . . 89 ALA H . 19348 1 405 . 1 1 88 88 ALA C C 13 177.570 0.1 . 1 . . . . 89 ALA C . 19348 1 406 . 1 1 88 88 ALA CA C 13 52.580 0.1 . 1 . . . . 89 ALA CA . 19348 1 407 . 1 1 88 88 ALA CB C 13 19.138 0.1 . 1 . . . . 89 ALA CB . 19348 1 408 . 1 1 88 88 ALA N N 15 128.122 0.07 . 1 . . . . 89 ALA N . 19348 1 409 . 1 1 89 89 ALA H H 1 8.236 0.02 . 1 . . . . 90 ALA H . 19348 1 410 . 1 1 89 89 ALA C C 13 177.724 0.1 . 1 . . . . 90 ALA C . 19348 1 411 . 1 1 89 89 ALA CA C 13 52.454 0.1 . 1 . . . . 90 ALA CA . 19348 1 412 . 1 1 89 89 ALA CB C 13 19.191 0.1 . 1 . . . . 90 ALA CB . 19348 1 413 . 1 1 89 89 ALA N N 15 123.424 0.07 . 1 . . . . 90 ALA N . 19348 1 414 . 1 1 90 90 ALA H H 1 8.316 0.02 . 1 . . . . 91 ALA H . 19348 1 415 . 1 1 90 90 ALA C C 13 178.136 0.1 . 1 . . . . 91 ALA C . 19348 1 416 . 1 1 90 90 ALA CA C 13 52.657 0.1 . 1 . . . . 91 ALA CA . 19348 1 417 . 1 1 90 90 ALA CB C 13 19.128 0.1 . 1 . . . . 91 ALA CB . 19348 1 418 . 1 1 90 90 ALA N N 15 123.455 0.07 . 1 . . . . 91 ALA N . 19348 1 419 . 1 1 91 91 THR H H 1 8.120 0.02 . 1 . . . . 92 THR H . 19348 1 420 . 1 1 91 91 THR C C 13 175.158 0.1 . 1 . . . . 92 THR C . 19348 1 421 . 1 1 91 91 THR CA C 13 61.951 0.1 . 1 . . . . 92 THR CA . 19348 1 422 . 1 1 91 91 THR CB C 13 69.774 0.1 . 1 . . . . 92 THR CB . 19348 1 423 . 1 1 91 91 THR N N 15 112.669 0.07 . 1 . . . . 92 THR N . 19348 1 424 . 1 1 92 92 GLY H H 1 8.334 0.02 . 1 . . . . 93 GLY H . 19348 1 425 . 1 1 92 92 GLY C C 13 173.622 0.1 . 1 . . . . 93 GLY C . 19348 1 426 . 1 1 92 92 GLY CA C 13 45.177 0.1 . 1 . . . . 93 GLY CA . 19348 1 427 . 1 1 92 92 GLY N N 15 110.744 0.07 . 1 . . . . 93 GLY N . 19348 1 428 . 1 1 93 93 PHE H H 1 8.109 0.02 . 1 . . . . 94 PHE H . 19348 1 429 . 1 1 93 93 PHE C C 13 175.480 0.1 . 1 . . . . 94 PHE C . 19348 1 430 . 1 1 93 93 PHE CA C 13 57.787 0.1 . 1 . . . . 94 PHE CA . 19348 1 431 . 1 1 93 93 PHE CB C 13 39.733 0.1 . 1 . . . . 94 PHE CB . 19348 1 432 . 1 1 93 93 PHE N N 15 120.367 0.07 . 1 . . . . 94 PHE N . 19348 1 433 . 1 1 94 94 VAL H H 1 8.089 0.02 . 1 . . . . 95 VAL H . 19348 1 434 . 1 1 94 94 VAL C C 13 175.417 0.1 . 1 . . . . 95 VAL C . 19348 1 435 . 1 1 94 94 VAL CA C 13 61.968 0.1 . 1 . . . . 95 VAL CA . 19348 1 436 . 1 1 94 94 VAL CB C 13 33.116 0.1 . 1 . . . . 95 VAL CB . 19348 1 437 . 1 1 94 94 VAL N N 15 123.775 0.07 . 1 . . . . 95 VAL N . 19348 1 438 . 1 1 95 95 LYS H H 1 8.418 0.02 . 1 . . . . 96 LYS H . 19348 1 439 . 1 1 95 95 LYS C C 13 176.500 0.1 . 1 . . . . 96 LYS C . 19348 1 440 . 1 1 95 95 LYS CA C 13 56.349 0.1 . 1 . . . . 96 LYS CA . 19348 1 441 . 1 1 95 95 LYS CB C 13 33.067 0.1 . 1 . . . . 96 LYS CB . 19348 1 442 . 1 1 95 95 LYS N N 15 126.410 0.07 . 1 . . . . 96 LYS N . 19348 1 443 . 1 1 96 96 LYS H H 1 8.494 0.02 . 1 . . . . 97 LYS H . 19348 1 444 . 1 1 96 96 LYS C C 13 176.395 0.1 . 1 . . . . 97 LYS C . 19348 1 445 . 1 1 96 96 LYS CA C 13 56.412 0.1 . 1 . . . . 97 LYS CA . 19348 1 446 . 1 1 96 96 LYS CB C 13 33.159 0.1 . 1 . . . . 97 LYS CB . 19348 1 447 . 1 1 96 96 LYS N N 15 123.891 0.07 . 1 . . . . 97 LYS N . 19348 1 448 . 1 1 97 97 ASP H H 1 8.438 0.02 . 1 . . . . 98 ASP H . 19348 1 449 . 1 1 97 97 ASP C C 13 176.270 0.1 . 1 . . . . 98 ASP C . 19348 1 450 . 1 1 97 97 ASP CA C 13 54.595 0.1 . 1 . . . . 98 ASP CA . 19348 1 451 . 1 1 97 97 ASP CB C 13 41.096 0.1 . 1 . . . . 98 ASP CB . 19348 1 452 . 1 1 97 97 ASP N N 15 121.237 0.07 . 1 . . . . 98 ASP N . 19348 1 453 . 1 1 98 98 GLN H H 1 8.372 0.02 . 1 . . . . 99 GLN H . 19348 1 454 . 1 1 98 98 GLN C C 13 176.108 0.1 . 1 . . . . 99 GLN C . 19348 1 455 . 1 1 98 98 GLN CA C 13 56.063 0.1 . 1 . . . . 99 GLN CA . 19348 1 456 . 1 1 98 98 GLN CB C 13 29.763 0.1 . 1 . . . . 99 GLN CB . 19348 1 457 . 1 1 98 98 GLN N N 15 120.166 0.07 . 1 . . . . 99 GLN N . 19348 1 458 . 1 1 99 99 MET H H 1 8.436 0.02 . 1 . . . . 100 MET H . 19348 1 459 . 1 1 99 99 MET C C 13 176.858 0.1 . 1 . . . . 100 MET C . 19348 1 460 . 1 1 99 99 MET CA C 13 55.802 0.1 . 1 . . . . 100 MET CA . 19348 1 461 . 1 1 99 99 MET CB C 13 32.898 0.1 . 1 . . . . 100 MET CB . 19348 1 462 . 1 1 99 99 MET N N 15 120.974 0.07 . 1 . . . . 100 MET N . 19348 1 463 . 1 1 100 100 GLY H H 1 8.520 0.02 . 1 . . . . 101 GLY H . 19348 1 464 . 1 1 100 100 GLY C C 13 174.102 0.1 . 1 . . . . 101 GLY C . 19348 1 465 . 1 1 100 100 GLY CA C 13 45.310 0.1 . 1 . . . . 101 GLY CA . 19348 1 466 . 1 1 100 100 GLY N N 15 110.284 0.07 . 1 . . . . 101 GLY N . 19348 1 467 . 1 1 101 101 LYS H H 1 8.298 0.02 . 1 . . . . 102 LYS H . 19348 1 468 . 1 1 101 101 LYS C C 13 177.303 0.1 . 1 . . . . 102 LYS C . 19348 1 469 . 1 1 101 101 LYS CA C 13 56.324 0.1 . 1 . . . . 102 LYS CA . 19348 1 470 . 1 1 101 101 LYS CB C 13 32.985 0.1 . 1 . . . . 102 LYS CB . 19348 1 471 . 1 1 101 101 LYS N N 15 120.910 0.07 . 1 . . . . 102 LYS N . 19348 1 472 . 1 1 102 102 GLY H H 1 8.575 0.02 . 1 . . . . 103 GLY H . 19348 1 473 . 1 1 102 102 GLY C C 13 174.310 0.1 . 1 . . . . 103 GLY C . 19348 1 474 . 1 1 102 102 GLY CA C 13 45.329 0.1 . 1 . . . . 103 GLY CA . 19348 1 475 . 1 1 102 102 GLY N N 15 110.649 0.07 . 1 . . . . 103 GLY N . 19348 1 476 . 1 1 103 103 GLU H H 1 8.349 0.02 . 1 . . . . 104 GLU H . 19348 1 477 . 1 1 103 103 GLU C C 13 176.761 0.1 . 1 . . . . 104 GLU C . 19348 1 478 . 1 1 103 103 GLU CA C 13 56.324 0.1 . 1 . . . . 104 GLU CA . 19348 1 479 . 1 1 103 103 GLU CB C 13 30.332 0.1 . 1 . . . . 104 GLU CB . 19348 1 480 . 1 1 103 103 GLU N N 15 120.667 0.07 . 1 . . . . 104 GLU N . 19348 1 481 . 1 1 104 104 GLU H H 1 8.620 0.02 . 1 . . . . 105 GLU H . 19348 1 482 . 1 1 104 104 GLU C C 13 176.909 0.1 . 1 . . . . 105 GLU C . 19348 1 483 . 1 1 104 104 GLU CA C 13 57.044 0.1 . 1 . . . . 105 GLU CA . 19348 1 484 . 1 1 104 104 GLU CB C 13 30.124 0.1 . 1 . . . . 105 GLU CB . 19348 1 485 . 1 1 104 104 GLU N N 15 121.798 0.07 . 1 . . . . 105 GLU N . 19348 1 486 . 1 1 105 105 GLY H H 1 8.399 0.02 . 1 . . . . 106 GLY H . 19348 1 487 . 1 1 105 105 GLY C C 13 173.449 0.1 . 1 . . . . 106 GLY C . 19348 1 488 . 1 1 105 105 GLY CA C 13 44.837 0.1 . 1 . . . . 106 GLY CA . 19348 1 489 . 1 1 105 105 GLY N N 15 109.619 0.07 . 1 . . . . 106 GLY N . 19348 1 490 . 1 1 106 106 TYR H H 1 8.054 0.02 . 1 . . . . 107 TYR H . 19348 1 491 . 1 1 106 106 TYR C C 13 174.055 0.1 . 1 . . . . 107 TYR C . 19348 1 492 . 1 1 106 106 TYR CA C 13 55.802 0.1 . 1 . . . . 107 TYR CA . 19348 1 493 . 1 1 106 106 TYR CB C 13 38.105 0.1 . 1 . . . . 107 TYR CB . 19348 1 494 . 1 1 106 106 TYR N N 15 121.305 0.07 . 1 . . . . 107 TYR N . 19348 1 495 . 1 1 107 107 PRO C C 13 176.882 0.1 . 1 . . . . 108 PRO C . 19348 1 496 . 1 1 107 107 PRO CA C 13 63.304 0.1 . 1 . . . . 108 PRO CA . 19348 1 497 . 1 1 107 107 PRO CB C 13 32.074 0.1 . 1 . . . . 108 PRO CB . 19348 1 498 . 1 1 108 108 GLN H H 1 8.573 0.02 . 1 . . . . 109 GLN H . 19348 1 499 . 1 1 108 108 GLN C C 13 176.058 0.1 . 1 . . . . 109 GLN C . 19348 1 500 . 1 1 108 108 GLN CA C 13 55.886 0.1 . 1 . . . . 109 GLN CA . 19348 1 501 . 1 1 108 108 GLN CB C 13 29.672 0.1 . 1 . . . . 109 GLN CB . 19348 1 502 . 1 1 108 108 GLN N N 15 121.317 0.07 . 1 . . . . 109 GLN N . 19348 1 503 . 1 1 109 109 GLU H H 1 8.565 0.02 . 1 . . . . 110 GLU H . 19348 1 504 . 1 1 109 109 GLU C C 13 176.848 0.1 . 1 . . . . 110 GLU C . 19348 1 505 . 1 1 109 109 GLU CA C 13 56.673 0.1 . 1 . . . . 110 GLU CA . 19348 1 506 . 1 1 109 109 GLU CB C 13 30.634 0.1 . 1 . . . . 110 GLU CB . 19348 1 507 . 1 1 109 109 GLU N N 15 122.292 0.07 . 1 . . . . 110 GLU N . 19348 1 508 . 1 1 110 110 GLY H H 1 8.510 0.02 . 1 . . . . 111 GLY H . 19348 1 509 . 1 1 110 110 GLY C C 13 173.737 0.1 . 1 . . . . 111 GLY C . 19348 1 510 . 1 1 110 110 GLY CA C 13 45.177 0.1 . 1 . . . . 111 GLY CA . 19348 1 511 . 1 1 110 110 GLY N N 15 110.272 0.07 . 1 . . . . 111 GLY N . 19348 1 512 . 1 1 111 111 ILE H H 1 8.011 0.02 . 1 . . . . 112 ILE H . 19348 1 513 . 1 1 111 111 ILE C C 13 176.244 0.1 . 1 . . . . 112 ILE C . 19348 1 514 . 1 1 111 111 ILE CA C 13 60.984 0.1 . 1 . . . . 112 ILE CA . 19348 1 515 . 1 1 111 111 ILE CB C 13 38.648 0.1 . 1 . . . . 112 ILE CB . 19348 1 516 . 1 1 111 111 ILE N N 15 120.163 0.07 . 1 . . . . 112 ILE N . 19348 1 517 . 1 1 112 112 LEU H H 1 8.433 0.02 . 1 . . . . 113 LEU H . 19348 1 518 . 1 1 112 112 LEU C C 13 177.161 0.1 . 1 . . . . 113 LEU C . 19348 1 519 . 1 1 112 112 LEU CA C 13 54.987 0.1 . 1 . . . . 113 LEU CA . 19348 1 520 . 1 1 112 112 LEU CB C 13 42.357 0.1 . 1 . . . . 113 LEU CB . 19348 1 521 . 1 1 112 112 LEU N N 15 127.065 0.07 . 1 . . . . 113 LEU N . 19348 1 522 . 1 1 113 113 GLU H H 1 8.453 0.02 . 1 . . . . 114 GLU H . 19348 1 523 . 1 1 113 113 GLU C C 13 175.881 0.1 . 1 . . . . 114 GLU C . 19348 1 524 . 1 1 113 113 GLU CA C 13 56.586 0.1 . 1 . . . . 114 GLU CA . 19348 1 525 . 1 1 113 113 GLU CB C 13 30.460 0.1 . 1 . . . . 114 GLU CB . 19348 1 526 . 1 1 113 113 GLU N N 15 122.304 0.07 . 1 . . . . 114 GLU N . 19348 1 527 . 1 1 114 114 ASP H H 1 8.388 0.02 . 1 . . . . 115 ASP H . 19348 1 528 . 1 1 114 114 ASP C C 13 175.781 0.1 . 1 . . . . 115 ASP C . 19348 1 529 . 1 1 114 114 ASP CA C 13 54.321 0.1 . 1 . . . . 115 ASP CA . 19348 1 530 . 1 1 114 114 ASP CB C 13 41.162 0.1 . 1 . . . . 115 ASP CB . 19348 1 531 . 1 1 114 114 ASP N N 15 121.456 0.07 . 1 . . . . 115 ASP N . 19348 1 532 . 1 1 115 115 MET H H 1 8.279 0.02 . 1 . . . . 116 MET H . 19348 1 533 . 1 1 115 115 MET C C 13 174.067 0.1 . 1 . . . . 116 MET C . 19348 1 534 . 1 1 115 115 MET CA C 13 53.363 0.1 . 1 . . . . 116 MET CA . 19348 1 535 . 1 1 115 115 MET CB C 13 32.550 0.1 . 1 . . . . 116 MET CB . 19348 1 536 . 1 1 115 115 MET N N 15 122.045 0.07 . 1 . . . . 116 MET N . 19348 1 537 . 1 1 116 116 PRO C C 13 176.747 0.1 . 1 . . . . 117 PRO C . 19348 1 538 . 1 1 116 116 PRO CA C 13 62.883 0.1 . 1 . . . . 117 PRO CA . 19348 1 539 . 1 1 116 116 PRO CB C 13 32.133 0.1 . 1 . . . . 117 PRO CB . 19348 1 540 . 1 1 117 117 VAL H H 1 8.334 0.02 . 1 . . . . 118 VAL H . 19348 1 541 . 1 1 117 117 VAL C C 13 175.801 0.1 . 1 . . . . 118 VAL C . 19348 1 542 . 1 1 117 117 VAL CA C 13 62.023 0.1 . 1 . . . . 118 VAL CA . 19348 1 543 . 1 1 117 117 VAL CB C 13 32.986 0.1 . 1 . . . . 118 VAL CB . 19348 1 544 . 1 1 117 117 VAL N N 15 120.970 0.07 . 1 . . . . 118 VAL N . 19348 1 545 . 1 1 118 118 ASP H H 1 8.584 0.02 . 1 . . . . 119 ASP H . 19348 1 546 . 1 1 118 118 ASP C C 13 174.848 0.1 . 1 . . . . 119 ASP C . 19348 1 547 . 1 1 118 118 ASP CA C 13 51.978 0.1 . 1 . . . . 119 ASP CA . 19348 1 548 . 1 1 118 118 ASP CB C 13 41.288 0.1 . 1 . . . . 119 ASP CB . 19348 1 549 . 1 1 118 118 ASP N N 15 126.159 0.07 . 1 . . . . 119 ASP N . 19348 1 550 . 1 1 119 119 PRO C C 13 177.639 0.1 . 1 . . . . 120 PRO C . 19348 1 551 . 1 1 119 119 PRO CA C 13 63.701 0.1 . 1 . . . . 120 PRO CA . 19348 1 552 . 1 1 119 119 PRO CB C 13 32.138 0.1 . 1 . . . . 120 PRO CB . 19348 1 553 . 1 1 120 120 GLY H H 1 8.577 0.02 . 1 . . . . 121 GLY H . 19348 1 554 . 1 1 120 120 GLY C C 13 174.567 0.1 . 1 . . . . 121 GLY C . 19348 1 555 . 1 1 120 120 GLY CA C 13 45.325 0.1 . 1 . . . . 121 GLY CA . 19348 1 556 . 1 1 120 120 GLY N N 15 108.991 0.07 . 1 . . . . 121 GLY N . 19348 1 557 . 1 1 121 121 SER H H 1 8.134 0.02 . 1 . . . . 122 SER H . 19348 1 558 . 1 1 121 121 SER C C 13 174.806 0.1 . 1 . . . . 122 SER C . 19348 1 559 . 1 1 121 121 SER CA C 13 58.548 0.1 . 1 . . . . 122 SER CA . 19348 1 560 . 1 1 121 121 SER CB C 13 63.878 0.1 . 1 . . . . 122 SER CB . 19348 1 561 . 1 1 121 121 SER N N 15 115.706 0.07 . 1 . . . . 122 SER N . 19348 1 562 . 1 1 122 122 GLU H H 1 8.553 0.02 . 1 . . . . 123 GLU H . 19348 1 563 . 1 1 122 122 GLU C C 13 176.154 0.1 . 1 . . . . 123 GLU C . 19348 1 564 . 1 1 122 122 GLU CA C 13 56.712 0.1 . 1 . . . . 123 GLU CA . 19348 1 565 . 1 1 122 122 GLU CB C 13 30.009 0.1 . 1 . . . . 123 GLU CB . 19348 1 566 . 1 1 122 122 GLU N N 15 122.976 0.07 . 1 . . . . 123 GLU N . 19348 1 567 . 1 1 123 123 ALA H H 1 8.227 0.02 . 1 . . . . 124 ALA H . 19348 1 568 . 1 1 123 123 ALA C C 13 177.156 0.1 . 1 . . . . 124 ALA C . 19348 1 569 . 1 1 123 123 ALA CA C 13 52.294 0.1 . 1 . . . . 124 ALA CA . 19348 1 570 . 1 1 123 123 ALA CB C 13 19.229 0.1 . 1 . . . . 124 ALA CB . 19348 1 571 . 1 1 123 123 ALA N N 15 124.432 0.07 . 1 . . . . 124 ALA N . 19348 1 572 . 1 1 124 124 TYR H H 1 8.043 0.02 . 1 . . . . 125 TYR H . 19348 1 573 . 1 1 124 124 TYR C C 13 175.328 0.1 . 1 . . . . 125 TYR C . 19348 1 574 . 1 1 124 124 TYR CA C 13 57.702 0.1 . 1 . . . . 125 TYR CA . 19348 1 575 . 1 1 124 124 TYR CB C 13 38.962 0.1 . 1 . . . . 125 TYR CB . 19348 1 576 . 1 1 124 124 TYR N N 15 119.955 0.07 . 1 . . . . 125 TYR N . 19348 1 577 . 1 1 125 125 GLU H H 1 8.168 0.02 . 1 . . . . 126 GLU H . 19348 1 578 . 1 1 125 125 GLU C C 13 175.456 0.1 . 1 . . . . 126 GLU C . 19348 1 579 . 1 1 125 125 GLU CA C 13 55.655 0.1 . 1 . . . . 126 GLU CA . 19348 1 580 . 1 1 125 125 GLU CB C 13 30.762 0.1 . 1 . . . . 126 GLU CB . 19348 1 581 . 1 1 125 125 GLU N N 15 123.813 0.07 . 1 . . . . 126 GLU N . 19348 1 582 . 1 1 126 126 MET H H 1 8.445 0.02 . 1 . . . . 127 MET H . 19348 1 583 . 1 1 126 126 MET C C 13 174.239 0.1 . 1 . . . . 127 MET C . 19348 1 584 . 1 1 126 126 MET CA C 13 53.226 0.1 . 1 . . . . 127 MET CA . 19348 1 585 . 1 1 126 126 MET CB C 13 32.463 0.1 . 1 . . . . 127 MET CB . 19348 1 586 . 1 1 126 126 MET N N 15 123.888 0.07 . 1 . . . . 127 MET N . 19348 1 587 . 1 1 127 127 PRO C C 13 176.893 0.1 . 1 . . . . 128 PRO C . 19348 1 588 . 1 1 127 127 PRO CA C 13 63.070 0.1 . 1 . . . . 128 PRO CA . 19348 1 589 . 1 1 127 127 PRO CB C 13 32.200 0.1 . 1 . . . . 128 PRO CB . 19348 1 590 . 1 1 128 128 SER H H 1 8.515 0.02 . 1 . . . . 129 SER H . 19348 1 591 . 1 1 128 128 SER C C 13 174.809 0.1 . 1 . . . . 129 SER C . 19348 1 592 . 1 1 128 128 SER CA C 13 58.290 0.1 . 1 . . . . 129 SER CA . 19348 1 593 . 1 1 128 128 SER CB C 13 63.870 0.1 . 1 . . . . 129 SER CB . 19348 1 594 . 1 1 128 128 SER N N 15 116.835 0.07 . 1 . . . . 129 SER N . 19348 1 595 . 1 1 129 129 GLU H H 1 8.609 0.02 . 1 . . . . 130 GLU H . 19348 1 596 . 1 1 129 129 GLU C C 13 176.521 0.1 . 1 . . . . 130 GLU C . 19348 1 597 . 1 1 129 129 GLU CA C 13 56.541 0.1 . 1 . . . . 130 GLU CA . 19348 1 598 . 1 1 129 129 GLU CB C 13 30.321 0.1 . 1 . . . . 130 GLU CB . 19348 1 599 . 1 1 129 129 GLU N N 15 123.263 0.07 . 1 . . . . 130 GLU N . 19348 1 600 . 1 1 130 130 GLU H H 1 8.496 0.02 . 1 . . . . 131 GLU H . 19348 1 601 . 1 1 130 130 GLU C C 13 176.962 0.1 . 1 . . . . 131 GLU C . 19348 1 602 . 1 1 130 130 GLU CA C 13 57.033 0.1 . 1 . . . . 131 GLU CA . 19348 1 603 . 1 1 130 130 GLU CB C 13 30.210 0.1 . 1 . . . . 131 GLU CB . 19348 1 604 . 1 1 130 130 GLU N N 15 122.050 0.07 . 1 . . . . 131 GLU N . 19348 1 605 . 1 1 131 131 GLY H H 1 8.441 0.02 . 1 . . . . 132 GLY H . 19348 1 606 . 1 1 131 131 GLY C C 13 173.845 0.1 . 1 . . . . 132 GLY C . 19348 1 607 . 1 1 131 131 GLY CA C 13 45.102 0.1 . 1 . . . . 132 GLY CA . 19348 1 608 . 1 1 131 131 GLY N N 15 110.019 0.07 . 1 . . . . 132 GLY N . 19348 1 609 . 1 1 132 132 TYR H H 1 8.098 0.02 . 1 . . . . 133 TYR H . 19348 1 610 . 1 1 132 132 TYR C C 13 175.749 0.1 . 1 . . . . 133 TYR C . 19348 1 611 . 1 1 132 132 TYR CA C 13 58.340 0.1 . 1 . . . . 133 TYR CA . 19348 1 612 . 1 1 132 132 TYR CB C 13 38.778 0.1 . 1 . . . . 133 TYR CB . 19348 1 613 . 1 1 132 132 TYR N N 15 120.379 0.07 . 1 . . . . 133 TYR N . 19348 1 614 . 1 1 133 133 GLN H H 1 8.256 0.02 . 1 . . . . 134 GLN H . 19348 1 615 . 1 1 133 133 GLN C C 13 174.871 0.1 . 1 . . . . 134 GLN C . 19348 1 616 . 1 1 133 133 GLN CA C 13 55.409 0.1 . 1 . . . . 134 GLN CA . 19348 1 617 . 1 1 133 133 GLN CB C 13 29.845 0.1 . 1 . . . . 134 GLN CB . 19348 1 618 . 1 1 133 133 GLN N N 15 122.814 0.07 . 1 . . . . 134 GLN N . 19348 1 619 . 1 1 134 134 ASP H H 1 8.264 0.02 . 1 . . . . 135 ASP H . 19348 1 620 . 1 1 134 134 ASP C C 13 175.521 0.1 . 1 . . . . 135 ASP C . 19348 1 621 . 1 1 134 134 ASP CA C 13 54.334 0.1 . 1 . . . . 135 ASP CA . 19348 1 622 . 1 1 134 134 ASP CB C 13 41.194 0.1 . 1 . . . . 135 ASP CB . 19348 1 623 . 1 1 134 134 ASP N N 15 121.772 0.07 . 1 . . . . 135 ASP N . 19348 1 624 . 1 1 135 135 TYR H H 1 8.064 0.02 . 1 . . . . 136 TYR H . 19348 1 625 . 1 1 135 135 TYR C C 13 175.077 0.1 . 1 . . . . 136 TYR C . 19348 1 626 . 1 1 135 135 TYR CA C 13 57.607 0.1 . 1 . . . . 136 TYR CA . 19348 1 627 . 1 1 135 135 TYR CB C 13 39.138 0.1 . 1 . . . . 136 TYR CB . 19348 1 628 . 1 1 135 135 TYR N N 15 120.576 0.07 . 1 . . . . 136 TYR N . 19348 1 629 . 1 1 136 136 GLU H H 1 8.285 0.02 . 1 . . . . 137 GLU H . 19348 1 630 . 1 1 136 136 GLU C C 13 173.708 0.1 . 1 . . . . 137 GLU C . 19348 1 631 . 1 1 136 136 GLU CA C 13 53.567 0.1 . 1 . . . . 137 GLU CA . 19348 1 632 . 1 1 136 136 GLU CB C 13 30.290 0.1 . 1 . . . . 137 GLU CB . 19348 1 633 . 1 1 136 136 GLU N N 15 125.501 0.07 . 1 . . . . 137 GLU N . 19348 1 634 . 1 1 137 137 PRO C C 13 176.878 0.1 . 1 . . . . 138 PRO C . 19348 1 635 . 1 1 137 137 PRO CA C 13 63.042 0.1 . 1 . . . . 138 PRO CA . 19348 1 636 . 1 1 137 137 PRO CB C 13 32.213 0.1 . 1 . . . . 138 PRO CB . 19348 1 637 . 1 1 138 138 GLU H H 1 8.554 0.02 . 1 . . . . 139 GLU H . 19348 1 638 . 1 1 138 138 GLU C C 13 175.405 0.1 . 1 . . . . 139 GLU C . 19348 1 639 . 1 1 138 138 GLU CA C 13 56.627 0.1 . 1 . . . . 139 GLU CA . 19348 1 640 . 1 1 138 138 GLU CB C 13 30.320 0.1 . 1 . . . . 139 GLU CB . 19348 1 641 . 1 1 138 138 GLU N N 15 121.667 0.07 . 1 . . . . 139 GLU N . 19348 1 642 . 1 1 139 139 ALA H H 1 8.023 0.02 . 1 . . . . 140 ALA H . 19348 1 643 . 1 1 139 139 ALA CA C 13 53.802 0.1 . 1 . . . . 140 ALA CA . 19348 1 644 . 1 1 139 139 ALA CB C 13 20.233 0.1 . 1 . . . . 140 ALA CB . 19348 1 645 . 1 1 139 139 ALA N N 15 130.996 0.07 . 1 . . . . 140 ALA N . 19348 1 stop_ save_