data_19349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19349 _Entry.Title ; mouse alpha synuclein T53A & 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 . . . 19349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 19349 '15N chemical shifts' 122 19349 '1H chemical shifts' 122 19349 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 . 19349 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19337 'aSyn monomer' 19349 BMRB 19338 'aSyn A53T monomer' 19349 BMRB 19344 'aSyn S87N monomer' 19349 BMRB 19345 'aSyn A53T&S87N monomer' 19349 BMRB 19346 'aSyn mouse monomer' 19349 BMRB 19347 'aSyn mouse_T53A monomer' 19349 BMRB 19348 'aSyn mouse_N87S monomer' 19349 BMRB 19350 'acetylated aSyn monomer' 19349 BMRB 19351 'acetylated aSyn A53T monomer' 19349 stop_ save_ ############### # Citations # ############### save_asyn_mouse_T53A-N87S_PBS _Citation.Sf_category citations _Citation.Sf_framecode asyn_mouse_T53A-N87S_PBS _Citation.Entry_ID 19349 _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 . . . 19349 1 2 Maria Janowska . K. . 19349 1 3 Gina Moriarty . M. . 19349 1 4 Jean Baum . . . 19349 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19349 _Assembly.ID 1 _Assembly.Name 'aSyn mouse_T53A&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_T53A&N87S monomer' 1 $aSyn_mouse_T53A-N87S A . yes native no no . . . 19349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aSyn_mouse_T53A-N87S _Entity.Sf_category entity _Entity.Sf_framecode aSyn_mouse_T53A-N87S _Entity.Entry_ID 19349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aSyn_mouse_T53A&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 SKTKEGVVHGVATVAEKTKE 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 98.56 99.28 1.22e-86 . . . . 19349 1 2 no BMRB 19346 . aSyn_mouse . . . . . 100.00 140 98.56 99.28 1.22e-86 . . . . 19349 1 3 no BMRB 19347 . aSyn_mouse_T53A . . . . . 100.00 140 99.28 100.00 2.83e-87 . . . . 19349 1 4 no BMRB 19348 . aSyn_mouse_N87S . . . . . 100.00 139 99.28 99.28 4.88e-87 . . . . 19349 1 5 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.66 122 98.02 99.01 9.47e-56 . . . . 19349 1 6 no DBJ BAE33670 . "unnamed protein product [Mus musculus]" . . . . . 100.00 140 98.56 99.28 1.22e-86 . . . . 19349 1 7 no GB AAB20688 . "synuclein SYN1 [Rattus sp.]" . . . . . 100.00 140 97.84 98.56 5.16e-86 . . . . 19349 1 8 no GB AAC00521 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 97.84 98.56 6.56e-86 . . . . 19349 1 9 no GB AAC16026 . "synuclein 1 [Rattus norvegicus]" . . . . . 100.00 140 97.84 98.56 5.16e-86 . . . . 19349 1 10 no GB AAD11254 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 98.56 99.28 1.22e-86 . . . . 19349 1 11 no GB AAD56907 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 98.56 99.28 1.22e-86 . . . . 19349 1 12 no REF NP_001035916 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 98.56 99.28 1.22e-86 . . . . 19349 1 13 no REF NP_033247 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 98.56 99.28 1.22e-86 . . . . 19349 1 14 no REF NP_062042 . "alpha-synuclein [Rattus norvegicus]" . . . . . 100.00 140 97.84 98.56 5.16e-86 . . . . 19349 1 15 no REF XP_003503776 . "PREDICTED: alpha-synuclein [Cricetulus griseus]" . . . . . 100.00 140 97.84 99.28 3.09e-86 . . . . 19349 1 16 no REF XP_005360611 . "PREDICTED: alpha-synuclein [Microtus ochrogaster]" . . . . . 100.00 140 97.84 98.56 5.16e-86 . . . . 19349 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 98.56 99.28 1.22e-86 . . . . 19349 1 18 no SP P37377 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 97.84 98.56 5.16e-86 . . . . 19349 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 . 19349 1 2 3 VAL . 19349 1 3 4 PHE . 19349 1 4 5 MET . 19349 1 5 6 LYS . 19349 1 6 7 GLY . 19349 1 7 8 LEU . 19349 1 8 9 SER . 19349 1 9 10 LYS . 19349 1 10 11 ALA . 19349 1 11 12 LYS . 19349 1 12 13 GLU . 19349 1 13 14 GLY . 19349 1 14 15 VAL . 19349 1 15 16 VAL . 19349 1 16 17 ALA . 19349 1 17 18 ALA . 19349 1 18 19 ALA . 19349 1 19 20 GLU . 19349 1 20 21 LYS . 19349 1 21 22 THR . 19349 1 22 23 LYS . 19349 1 23 24 GLN . 19349 1 24 25 GLY . 19349 1 25 26 VAL . 19349 1 26 27 ALA . 19349 1 27 28 GLU . 19349 1 28 29 ALA . 19349 1 29 30 ALA . 19349 1 30 31 GLY . 19349 1 31 32 LYS . 19349 1 32 33 THR . 19349 1 33 34 LYS . 19349 1 34 35 GLU . 19349 1 35 36 GLY . 19349 1 36 37 VAL . 19349 1 37 38 LEU . 19349 1 38 39 TYR . 19349 1 39 40 VAL . 19349 1 40 41 GLY . 19349 1 41 42 SER . 19349 1 42 43 LYS . 19349 1 43 44 THR . 19349 1 44 45 LYS . 19349 1 45 46 GLU . 19349 1 46 47 GLY . 19349 1 47 48 VAL . 19349 1 48 49 VAL . 19349 1 49 50 HIS . 19349 1 50 51 GLY . 19349 1 51 52 VAL . 19349 1 52 53 ALA . 19349 1 53 54 THR . 19349 1 54 55 VAL . 19349 1 55 56 ALA . 19349 1 56 57 GLU . 19349 1 57 58 LYS . 19349 1 58 59 THR . 19349 1 59 60 LYS . 19349 1 60 61 GLU . 19349 1 61 62 GLN . 19349 1 62 63 VAL . 19349 1 63 64 THR . 19349 1 64 65 ASN . 19349 1 65 66 VAL . 19349 1 66 67 GLY . 19349 1 67 68 GLY . 19349 1 68 69 ALA . 19349 1 69 70 VAL . 19349 1 70 71 VAL . 19349 1 71 72 THR . 19349 1 72 73 GLY . 19349 1 73 74 VAL . 19349 1 74 75 THR . 19349 1 75 76 ALA . 19349 1 76 77 VAL . 19349 1 77 78 ALA . 19349 1 78 79 GLN . 19349 1 79 80 LYS . 19349 1 80 81 THR . 19349 1 81 82 VAL . 19349 1 82 83 GLU . 19349 1 83 84 GLY . 19349 1 84 85 ALA . 19349 1 85 86 GLY . 19349 1 86 87 SER . 19349 1 87 88 ILE . 19349 1 88 89 ALA . 19349 1 89 90 ALA . 19349 1 90 91 ALA . 19349 1 91 92 THR . 19349 1 92 93 GLY . 19349 1 93 94 PHE . 19349 1 94 95 VAL . 19349 1 95 96 LYS . 19349 1 96 97 LYS . 19349 1 97 98 ASP . 19349 1 98 99 GLN . 19349 1 99 100 MET . 19349 1 100 101 GLY . 19349 1 101 102 LYS . 19349 1 102 103 GLY . 19349 1 103 104 GLU . 19349 1 104 105 GLU . 19349 1 105 106 GLY . 19349 1 106 107 TYR . 19349 1 107 108 PRO . 19349 1 108 109 GLN . 19349 1 109 110 GLU . 19349 1 110 111 GLY . 19349 1 111 112 ILE . 19349 1 112 113 LEU . 19349 1 113 114 GLU . 19349 1 114 115 ASP . 19349 1 115 116 MET . 19349 1 116 117 PRO . 19349 1 117 118 VAL . 19349 1 118 119 ASP . 19349 1 119 120 PRO . 19349 1 120 121 GLY . 19349 1 121 122 SER . 19349 1 122 123 GLU . 19349 1 123 124 ALA . 19349 1 124 125 TYR . 19349 1 125 126 GLU . 19349 1 126 127 MET . 19349 1 127 128 PRO . 19349 1 128 129 SER . 19349 1 129 130 GLU . 19349 1 130 131 GLU . 19349 1 131 132 GLY . 19349 1 132 133 TYR . 19349 1 133 134 GLN . 19349 1 134 135 ASP . 19349 1 135 136 TYR . 19349 1 136 137 GLU . 19349 1 137 138 PRO . 19349 1 138 139 GLU . 19349 1 139 140 ALA . 19349 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 19349 1 . VAL 2 2 19349 1 . PHE 3 3 19349 1 . MET 4 4 19349 1 . LYS 5 5 19349 1 . GLY 6 6 19349 1 . LEU 7 7 19349 1 . SER 8 8 19349 1 . LYS 9 9 19349 1 . ALA 10 10 19349 1 . LYS 11 11 19349 1 . GLU 12 12 19349 1 . GLY 13 13 19349 1 . VAL 14 14 19349 1 . VAL 15 15 19349 1 . ALA 16 16 19349 1 . ALA 17 17 19349 1 . ALA 18 18 19349 1 . GLU 19 19 19349 1 . LYS 20 20 19349 1 . THR 21 21 19349 1 . LYS 22 22 19349 1 . GLN 23 23 19349 1 . GLY 24 24 19349 1 . VAL 25 25 19349 1 . ALA 26 26 19349 1 . GLU 27 27 19349 1 . ALA 28 28 19349 1 . ALA 29 29 19349 1 . GLY 30 30 19349 1 . LYS 31 31 19349 1 . THR 32 32 19349 1 . LYS 33 33 19349 1 . GLU 34 34 19349 1 . GLY 35 35 19349 1 . VAL 36 36 19349 1 . LEU 37 37 19349 1 . TYR 38 38 19349 1 . VAL 39 39 19349 1 . GLY 40 40 19349 1 . SER 41 41 19349 1 . LYS 42 42 19349 1 . THR 43 43 19349 1 . LYS 44 44 19349 1 . GLU 45 45 19349 1 . GLY 46 46 19349 1 . VAL 47 47 19349 1 . VAL 48 48 19349 1 . HIS 49 49 19349 1 . GLY 50 50 19349 1 . VAL 51 51 19349 1 . ALA 52 52 19349 1 . THR 53 53 19349 1 . VAL 54 54 19349 1 . ALA 55 55 19349 1 . GLU 56 56 19349 1 . LYS 57 57 19349 1 . THR 58 58 19349 1 . LYS 59 59 19349 1 . GLU 60 60 19349 1 . GLN 61 61 19349 1 . VAL 62 62 19349 1 . THR 63 63 19349 1 . ASN 64 64 19349 1 . VAL 65 65 19349 1 . GLY 66 66 19349 1 . GLY 67 67 19349 1 . ALA 68 68 19349 1 . VAL 69 69 19349 1 . VAL 70 70 19349 1 . THR 71 71 19349 1 . GLY 72 72 19349 1 . VAL 73 73 19349 1 . THR 74 74 19349 1 . ALA 75 75 19349 1 . VAL 76 76 19349 1 . ALA 77 77 19349 1 . GLN 78 78 19349 1 . LYS 79 79 19349 1 . THR 80 80 19349 1 . VAL 81 81 19349 1 . GLU 82 82 19349 1 . GLY 83 83 19349 1 . ALA 84 84 19349 1 . GLY 85 85 19349 1 . SER 86 86 19349 1 . ILE 87 87 19349 1 . ALA 88 88 19349 1 . ALA 89 89 19349 1 . ALA 90 90 19349 1 . THR 91 91 19349 1 . GLY 92 92 19349 1 . PHE 93 93 19349 1 . VAL 94 94 19349 1 . LYS 95 95 19349 1 . LYS 96 96 19349 1 . ASP 97 97 19349 1 . GLN 98 98 19349 1 . MET 99 99 19349 1 . GLY 100 100 19349 1 . LYS 101 101 19349 1 . GLY 102 102 19349 1 . GLU 103 103 19349 1 . GLU 104 104 19349 1 . GLY 105 105 19349 1 . TYR 106 106 19349 1 . PRO 107 107 19349 1 . GLN 108 108 19349 1 . GLU 109 109 19349 1 . GLY 110 110 19349 1 . ILE 111 111 19349 1 . LEU 112 112 19349 1 . GLU 113 113 19349 1 . ASP 114 114 19349 1 . MET 115 115 19349 1 . PRO 116 116 19349 1 . VAL 117 117 19349 1 . ASP 118 118 19349 1 . PRO 119 119 19349 1 . GLY 120 120 19349 1 . SER 121 121 19349 1 . GLU 122 122 19349 1 . ALA 123 123 19349 1 . TYR 124 124 19349 1 . GLU 125 125 19349 1 . MET 126 126 19349 1 . PRO 127 127 19349 1 . SER 128 128 19349 1 . GLU 129 129 19349 1 . GLU 130 130 19349 1 . GLY 131 131 19349 1 . TYR 132 132 19349 1 . GLN 133 133 19349 1 . ASP 134 134 19349 1 . TYR 135 135 19349 1 . GLU 136 136 19349 1 . PRO 137 137 19349 1 . GLU 138 138 19349 1 . ALA 139 139 19349 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 19349 _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_T53A-N87S . 10090 organism . 'Mus musculus' 'House Mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . 'mouse sequence of aSyn with human mutation A53T & N87S' . . 19349 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 19349 _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_T53A-N87S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . p7-T7 . . . . . . 19349 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19349 _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_T53A&N87S '[U-100% 13C; U-100% 15N]' . . 1 $aSyn_mouse_T53A-N87S . . 350 . . uM . . . . 19349 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19349 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19349 1 4 Phosphate 'natural abundance' . . . . . . 10 . . mM . . . . 19349 1 5 NaCl 'natural abundance' . . . . . . 138 . . mM . . . . 19349 1 6 KCl 'natural abundance' . . . . . . 2 . . mM . . . . 19349 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 19349 _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 19349 1 pH 7.4 . pH 19349 1 pressure 1 . atm 19349 1 temperature 273 . K 19349 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19349 _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 . . 19349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19349 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 19349 _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 19349 _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 . . . 19349 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 19349 _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 . . . . . . . . . . . . . . . . 19349 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19349 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19349 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19349 1 5 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19349 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19349 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 19349 _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 . . . . . . . . . 19349 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19349 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 19349 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 19349 _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' . . . 19349 1 2 '3D CBCA(CO)NH' . . . 19349 1 3 '3D HNCO' . . . 19349 1 4 '3D HNCACB' . . . 19349 1 5 '3D HN(CA)CO' . . . 19349 1 6 '3D HNN' . . . 19349 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 13 176.033 0.1 . 1 . . . . 2 ASP C . 19349 1 2 . 1 1 1 1 ASP CA C 13 54.319 0.1 . 1 . . . . 2 ASP CA . 19349 1 3 . 1 1 1 1 ASP CB C 13 41.452 0.1 . 1 . . . . 2 ASP CB . 19349 1 4 . 1 1 2 2 VAL H H 1 8.249 0.02 . 1 . . . . 3 VAL H . 19349 1 5 . 1 1 2 2 VAL C C 13 175.996 0.1 . 1 . . . . 3 VAL C . 19349 1 6 . 1 1 2 2 VAL CA C 13 62.572 0.1 . 1 . . . . 3 VAL CA . 19349 1 7 . 1 1 2 2 VAL CB C 13 32.519 0.1 . 1 . . . . 3 VAL CB . 19349 1 8 . 1 1 2 2 VAL N N 15 120.347 0.07 . 1 . . . . 3 VAL N . 19349 1 9 . 1 1 3 3 PHE H H 1 8.361 0.02 . 1 . . . . 4 PHE H . 19349 1 10 . 1 1 3 3 PHE C C 13 175.909 0.1 . 1 . . . . 4 PHE C . 19349 1 11 . 1 1 3 3 PHE CA C 13 57.961 0.1 . 1 . . . . 4 PHE CA . 19349 1 12 . 1 1 3 3 PHE CB C 13 39.309 0.1 . 1 . . . . 4 PHE CB . 19349 1 13 . 1 1 3 3 PHE N N 15 123.492 0.07 . 1 . . . . 4 PHE N . 19349 1 14 . 1 1 4 4 MET H H 1 8.236 0.02 . 1 . . . . 5 MET H . 19349 1 15 . 1 1 4 4 MET C C 13 176.010 0.1 . 1 . . . . 5 MET C . 19349 1 16 . 1 1 4 4 MET CA C 13 55.381 0.1 . 1 . . . . 5 MET CA . 19349 1 17 . 1 1 4 4 MET CB C 13 32.723 0.1 . 1 . . . . 5 MET CB . 19349 1 18 . 1 1 4 4 MET N N 15 122.281 0.07 . 1 . . . . 5 MET N . 19349 1 19 . 1 1 5 5 LYS C C 13 177.185 0.1 . 1 . . . . 6 LYS C . 19349 1 20 . 1 1 5 5 LYS CA C 13 56.672 0.1 . 1 . . . . 6 LYS CA . 19349 1 21 . 1 1 5 5 LYS CB C 13 32.810 0.1 . 1 . . . . 6 LYS CB . 19349 1 22 . 1 1 6 6 GLY C C 13 174.222 0.1 . 1 . . . . 7 GLY C . 19349 1 23 . 1 1 6 6 GLY CA C 13 45.269 0.1 . 1 . . . . 7 GLY CA . 19349 1 24 . 1 1 7 7 LEU H H 1 8.073 0.02 . 1 . . . . 8 LEU H . 19349 1 25 . 1 1 7 7 LEU C C 13 177.679 0.1 . 1 . . . . 8 LEU C . 19349 1 26 . 1 1 7 7 LEU CA C 13 55.161 0.1 . 1 . . . . 8 LEU CA . 19349 1 27 . 1 1 7 7 LEU CB C 13 42.518 0.1 . 1 . . . . 8 LEU CB . 19349 1 28 . 1 1 7 7 LEU N N 15 121.600 0.07 . 1 . . . . 8 LEU N . 19349 1 29 . 1 1 8 8 SER H H 1 8.338 0.02 . 1 . . . . 9 SER H . 19349 1 30 . 1 1 8 8 SER C C 13 174.585 0.1 . 1 . . . . 9 SER C . 19349 1 31 . 1 1 8 8 SER CA C 13 58.395 0.1 . 1 . . . . 9 SER CA . 19349 1 32 . 1 1 8 8 SER CB C 13 63.694 0.1 . 1 . . . . 9 SER CB . 19349 1 33 . 1 1 8 8 SER N N 15 116.736 0.07 . 1 . . . . 9 SER N . 19349 1 34 . 1 1 9 9 LYS CA C 13 56.456 0.1 . 1 . . . . 10 LYS CA . 19349 1 35 . 1 1 9 9 LYS CB C 13 32.917 0.1 . 1 . . . . 10 LYS CB . 19349 1 36 . 1 1 10 10 ALA H H 1 8.324 0.02 . 1 . . . . 11 ALA H . 19349 1 37 . 1 1 10 10 ALA C C 13 177.940 0.1 . 1 . . . . 11 ALA C . 19349 1 38 . 1 1 10 10 ALA CA C 13 52.600 0.1 . 1 . . . . 11 ALA CA . 19349 1 39 . 1 1 10 10 ALA CB C 13 19.070 0.1 . 1 . . . . 11 ALA CB . 19349 1 40 . 1 1 10 10 ALA N N 15 125.383 0.07 . 1 . . . . 11 ALA N . 19349 1 41 . 1 1 11 11 LYS H H 1 8.361 0.02 . 1 . . . . 12 LYS H . 19349 1 42 . 1 1 11 11 LYS C C 13 176.712 0.1 . 1 . . . . 12 LYS C . 19349 1 43 . 1 1 11 11 LYS CA C 13 56.411 0.1 . 1 . . . . 12 LYS CA . 19349 1 44 . 1 1 11 11 LYS CB C 13 32.953 0.1 . 1 . . . . 12 LYS CB . 19349 1 45 . 1 1 11 11 LYS N N 15 120.930 0.07 . 1 . . . . 12 LYS N . 19349 1 46 . 1 1 13 13 GLY C C 13 174.051 0.1 . 1 . . . . 14 GLY C . 19349 1 47 . 1 1 13 13 GLY CA C 13 45.226 0.1 . 1 . . . . 14 GLY CA . 19349 1 48 . 1 1 14 14 VAL H H 1 8.005 0.02 . 1 . . . . 15 VAL H . 19349 1 49 . 1 1 14 14 VAL C C 13 176.491 0.1 . 1 . . . . 15 VAL C . 19349 1 50 . 1 1 14 14 VAL CA C 13 62.450 0.1 . 1 . . . . 15 VAL CA . 19349 1 51 . 1 1 14 14 VAL CB C 13 32.721 0.1 . 1 . . . . 15 VAL CB . 19349 1 52 . 1 1 14 14 VAL N N 15 120.154 0.07 . 1 . . . . 15 VAL N . 19349 1 53 . 1 1 15 15 VAL H H 1 8.317 0.02 . 1 . . . . 16 VAL H . 19349 1 54 . 1 1 15 15 VAL C C 13 176.026 0.1 . 1 . . . . 16 VAL C . 19349 1 55 . 1 1 15 15 VAL CA C 13 62.333 0.1 . 1 . . . . 16 VAL CA . 19349 1 56 . 1 1 15 15 VAL CB C 13 32.897 0.1 . 1 . . . . 16 VAL CB . 19349 1 57 . 1 1 15 15 VAL N N 15 125.322 0.07 . 1 . . . . 16 VAL N . 19349 1 58 . 1 1 16 16 ALA H H 1 8.472 0.02 . 1 . . . . 17 ALA H . 19349 1 59 . 1 1 16 16 ALA C C 13 177.698 0.1 . 1 . . . . 17 ALA C . 19349 1 60 . 1 1 16 16 ALA CA C 13 52.587 0.1 . 1 . . . . 17 ALA CA . 19349 1 61 . 1 1 16 16 ALA CB C 13 19.163 0.1 . 1 . . . . 17 ALA CB . 19349 1 62 . 1 1 16 16 ALA N N 15 128.523 0.07 . 1 . . . . 17 ALA N . 19349 1 63 . 1 1 17 17 ALA H H 1 8.338 0.02 . 1 . . . . 18 ALA H . 19349 1 64 . 1 1 17 17 ALA C C 13 177.938 0.1 . 1 . . . . 18 ALA C . 19349 1 65 . 1 1 17 17 ALA CA C 13 52.666 0.1 . 1 . . . . 18 ALA CA . 19349 1 66 . 1 1 17 17 ALA CB C 13 19.136 0.1 . 1 . . . . 18 ALA CB . 19349 1 67 . 1 1 17 17 ALA N N 15 123.751 0.07 . 1 . . . . 18 ALA N . 19349 1 68 . 1 1 18 18 ALA H H 1 8.288 0.02 . 1 . . . . 19 ALA H . 19349 1 69 . 1 1 18 18 ALA C C 13 178.221 0.1 . 1 . . . . 19 ALA C . 19349 1 70 . 1 1 18 18 ALA CA C 13 52.753 0.1 . 1 . . . . 19 ALA CA . 19349 1 71 . 1 1 18 18 ALA CB C 13 19.005 0.1 . 1 . . . . 19 ALA CB . 19349 1 72 . 1 1 18 18 ALA N N 15 123.129 0.07 . 1 . . . . 19 ALA N . 19349 1 73 . 1 1 19 19 GLU H H 1 8.358 0.02 . 1 . . . . 20 GLU H . 19349 1 74 . 1 1 19 19 GLU C C 13 176.966 0.1 . 1 . . . . 20 GLU C . 19349 1 75 . 1 1 19 19 GLU CA C 13 56.739 0.1 . 1 . . . . 20 GLU CA . 19349 1 76 . 1 1 19 19 GLU CB C 13 30.176 0.1 . 1 . . . . 20 GLU CB . 19349 1 77 . 1 1 19 19 GLU N N 15 120.145 0.07 . 1 . . . . 20 GLU N . 19349 1 78 . 1 1 20 20 LYS H H 1 8.363 0.02 . 1 . . . . 21 LYS H . 19349 1 79 . 1 1 20 20 LYS C C 13 177.179 0.1 . 1 . . . . 21 LYS C . 19349 1 80 . 1 1 20 20 LYS CA C 13 56.699 0.1 . 1 . . . . 21 LYS CA . 19349 1 81 . 1 1 20 20 LYS CB C 13 32.897 0.1 . 1 . . . . 21 LYS CB . 19349 1 82 . 1 1 20 20 LYS N N 15 122.317 0.07 . 1 . . . . 21 LYS N . 19349 1 83 . 1 1 21 21 THR H H 1 8.154 0.02 . 1 . . . . 22 THR H . 19349 1 84 . 1 1 21 21 THR C C 13 174.723 0.1 . 1 . . . . 22 THR C . 19349 1 85 . 1 1 21 21 THR CA C 13 62.364 0.1 . 1 . . . . 22 THR CA . 19349 1 86 . 1 1 21 21 THR CB C 13 69.767 0.1 . 1 . . . . 22 THR CB . 19349 1 87 . 1 1 21 21 THR N N 15 115.302 0.07 . 1 . . . . 22 THR N . 19349 1 88 . 1 1 22 22 LYS H H 1 8.373 0.02 . 1 . . . . 23 LYS H . 19349 1 89 . 1 1 22 22 LYS C C 13 176.711 0.1 . 1 . . . . 23 LYS C . 19349 1 90 . 1 1 22 22 LYS CA C 13 56.780 0.1 . 1 . . . . 23 LYS CA . 19349 1 91 . 1 1 22 22 LYS CB C 13 32.831 0.1 . 1 . . . . 23 LYS CB . 19349 1 92 . 1 1 22 22 LYS N N 15 123.812 0.07 . 1 . . . . 23 LYS N . 19349 1 93 . 1 1 23 23 GLN H H 1 8.452 0.02 . 1 . . . . 24 GLN H . 19349 1 94 . 1 1 23 23 GLN C C 13 176.621 0.1 . 1 . . . . 24 GLN C . 19349 1 95 . 1 1 23 23 GLN CA C 13 56.157 0.1 . 1 . . . . 24 GLN CA . 19349 1 96 . 1 1 23 23 GLN CB C 13 29.521 0.1 . 1 . . . . 24 GLN CB . 19349 1 97 . 1 1 23 23 GLN N N 15 121.812 0.07 . 1 . . . . 24 GLN N . 19349 1 98 . 1 1 24 24 GLY H H 1 8.511 0.02 . 1 . . . . 25 GLY H . 19349 1 99 . 1 1 24 24 GLY C C 13 174.278 0.1 . 1 . . . . 25 GLY C . 19349 1 100 . 1 1 24 24 GLY CA C 13 45.176 0.1 . 1 . . . . 25 GLY CA . 19349 1 101 . 1 1 24 24 GLY N N 15 110.593 0.07 . 1 . . . . 25 GLY N . 19349 1 102 . 1 1 25 25 VAL H H 1 8.035 0.02 . 1 . . . . 26 VAL H . 19349 1 103 . 1 1 25 25 VAL C C 13 176.399 0.1 . 1 . . . . 26 VAL C . 19349 1 104 . 1 1 25 25 VAL CA C 13 62.594 0.1 . 1 . . . . 26 VAL CA . 19349 1 105 . 1 1 25 25 VAL CB C 13 32.897 0.1 . 1 . . . . 26 VAL CB . 19349 1 106 . 1 1 25 25 VAL N N 15 119.849 0.07 . 1 . . . . 26 VAL N . 19349 1 107 . 1 1 26 26 ALA H H 1 8.454 0.02 . 1 . . . . 27 ALA H . 19349 1 108 . 1 1 26 26 ALA C C 13 178.157 0.1 . 1 . . . . 27 ALA C . 19349 1 109 . 1 1 26 26 ALA CA C 13 52.809 0.1 . 1 . . . . 27 ALA CA . 19349 1 110 . 1 1 26 26 ALA CB C 13 19.096 0.1 . 1 . . . . 27 ALA CB . 19349 1 111 . 1 1 26 26 ALA N N 15 127.465 0.07 . 1 . . . . 27 ALA N . 19349 1 112 . 1 1 27 27 GLU H H 1 8.429 0.02 . 1 . . . . 28 GLU H . 19349 1 113 . 1 1 27 27 GLU C C 13 176.691 0.1 . 1 . . . . 28 GLU C . 19349 1 114 . 1 1 27 27 GLU CA C 13 56.846 0.1 . 1 . . . . 28 GLU CA . 19349 1 115 . 1 1 27 27 GLU CB C 13 30.191 0.1 . 1 . . . . 28 GLU CB . 19349 1 116 . 1 1 27 27 GLU N N 15 120.633 0.07 . 1 . . . . 28 GLU N . 19349 1 117 . 1 1 28 28 ALA H H 1 8.326 0.02 . 1 . . . . 29 ALA H . 19349 1 118 . 1 1 28 28 ALA C C 13 177.772 0.1 . 1 . . . . 29 ALA C . 19349 1 119 . 1 1 28 28 ALA CA C 13 52.666 0.1 . 1 . . . . 29 ALA CA . 19349 1 120 . 1 1 28 28 ALA CB C 13 19.311 0.1 . 1 . . . . 29 ALA CB . 19349 1 121 . 1 1 28 28 ALA N N 15 125.123 0.07 . 1 . . . . 29 ALA N . 19349 1 122 . 1 1 29 29 ALA H H 1 8.260 0.02 . 1 . . . . 30 ALA H . 19349 1 123 . 1 1 29 29 ALA C C 13 178.495 0.1 . 1 . . . . 30 ALA C . 19349 1 124 . 1 1 29 29 ALA CA C 13 52.789 0.1 . 1 . . . . 30 ALA CA . 19349 1 125 . 1 1 29 29 ALA CB C 13 18.999 0.1 . 1 . . . . 30 ALA CB . 19349 1 126 . 1 1 29 29 ALA N N 15 123.099 0.07 . 1 . . . . 30 ALA N . 19349 1 127 . 1 1 30 30 GLY H H 1 8.343 0.02 . 1 . . . . 31 GLY H . 19349 1 128 . 1 1 30 30 GLY C C 13 174.237 0.1 . 1 . . . . 31 GLY C . 19349 1 129 . 1 1 30 30 GLY CA C 13 45.343 0.1 . 1 . . . . 31 GLY CA . 19349 1 130 . 1 1 30 30 GLY N N 15 107.835 0.07 . 1 . . . . 31 GLY N . 19349 1 131 . 1 1 31 31 LYS H H 1 8.133 0.02 . 1 . . . . 32 LYS H . 19349 1 132 . 1 1 31 31 LYS C C 13 177.031 0.1 . 1 . . . . 32 LYS C . 19349 1 133 . 1 1 31 31 LYS CA C 13 56.239 0.1 . 1 . . . . 32 LYS CA . 19349 1 134 . 1 1 31 31 LYS CB C 13 33.196 0.1 . 1 . . . . 32 LYS CB . 19349 1 135 . 1 1 31 31 LYS N N 15 120.754 0.07 . 1 . . . . 32 LYS N . 19349 1 136 . 1 1 32 32 THR H H 1 8.255 0.02 . 1 . . . . 33 THR H . 19349 1 137 . 1 1 32 32 THR C C 13 174.680 0.1 . 1 . . . . 33 THR C . 19349 1 138 . 1 1 32 32 THR CA C 13 62.059 0.1 . 1 . . . . 33 THR CA . 19349 1 139 . 1 1 32 32 THR CB C 13 69.909 0.1 . 1 . . . . 33 THR CB . 19349 1 140 . 1 1 32 32 THR N N 15 115.644 0.07 . 1 . . . . 33 THR N . 19349 1 141 . 1 1 33 33 LYS H H 1 8.463 0.02 . 1 . . . . 34 LYS H . 19349 1 142 . 1 1 33 33 LYS C C 13 176.528 0.1 . 1 . . . . 34 LYS C . 19349 1 143 . 1 1 33 33 LYS CA C 13 56.585 0.1 . 1 . . . . 34 LYS CA . 19349 1 144 . 1 1 33 33 LYS CB C 13 32.842 0.1 . 1 . . . . 34 LYS CB . 19349 1 145 . 1 1 33 33 LYS N N 15 123.814 0.07 . 1 . . . . 34 LYS N . 19349 1 146 . 1 1 34 34 GLU H H 1 8.466 0.02 . 1 . . . . 35 GLU H . 19349 1 147 . 1 1 34 34 GLU C C 13 176.997 0.1 . 1 . . . . 35 GLU C . 19349 1 148 . 1 1 34 34 GLU CA C 13 56.867 0.1 . 1 . . . . 35 GLU CA . 19349 1 149 . 1 1 34 34 GLU CB C 13 30.130 0.1 . 1 . . . . 35 GLU CB . 19349 1 150 . 1 1 34 34 GLU N N 15 122.210 0.07 . 1 . . . . 35 GLU N . 19349 1 151 . 1 1 35 35 GLY H H 1 8.467 0.02 . 1 . . . . 36 GLY H . 19349 1 152 . 1 1 35 35 GLY CA C 13 45.263 0.1 . 1 . . . . 36 GLY CA . 19349 1 153 . 1 1 35 35 GLY N N 15 110.056 0.07 . 1 . . . . 36 GLY N . 19349 1 154 . 1 1 36 36 VAL H H 1 7.931 0.02 . 1 . . . . 37 VAL H . 19349 1 155 . 1 1 36 36 VAL C C 13 175.944 0.1 . 1 . . . . 37 VAL C . 19349 1 156 . 1 1 36 36 VAL CA C 13 62.333 0.1 . 1 . . . . 37 VAL CA . 19349 1 157 . 1 1 36 36 VAL CB C 13 32.810 0.1 . 1 . . . . 37 VAL CB . 19349 1 158 . 1 1 36 36 VAL N N 15 119.597 0.07 . 1 . . . . 37 VAL N . 19349 1 159 . 1 1 37 37 LEU H H 1 8.307 0.02 . 1 . . . . 38 LEU H . 19349 1 160 . 1 1 37 37 LEU C C 13 176.682 0.1 . 1 . . . . 38 LEU C . 19349 1 161 . 1 1 37 37 LEU CA C 13 54.957 0.1 . 1 . . . . 38 LEU CA . 19349 1 162 . 1 1 37 37 LEU CB C 13 42.564 0.1 . 1 . . . . 38 LEU CB . 19349 1 163 . 1 1 37 37 LEU N N 15 125.873 0.07 . 1 . . . . 38 LEU N . 19349 1 164 . 1 1 38 38 TYR H H 1 8.294 0.02 . 1 . . . . 39 TYR H . 19349 1 165 . 1 1 38 38 TYR C C 13 175.609 0.1 . 1 . . . . 39 TYR C . 19349 1 166 . 1 1 38 38 TYR CA C 13 58.047 0.1 . 1 . . . . 39 TYR CA . 19349 1 167 . 1 1 38 38 TYR CB C 13 38.838 0.1 . 1 . . . . 39 TYR CB . 19349 1 168 . 1 1 38 38 TYR N N 15 122.510 0.07 . 1 . . . . 39 TYR N . 19349 1 169 . 1 1 39 39 VAL H H 1 8.102 0.02 . 1 . . . . 40 VAL H . 19349 1 170 . 1 1 39 39 VAL C C 13 176.181 0.1 . 1 . . . . 40 VAL C . 19349 1 171 . 1 1 39 39 VAL CA C 13 62.183 0.1 . 1 . . . . 40 VAL CA . 19349 1 172 . 1 1 39 39 VAL CB C 13 32.840 0.1 . 1 . . . . 40 VAL CB . 19349 1 173 . 1 1 39 39 VAL N N 15 123.370 0.07 . 1 . . . . 40 VAL N . 19349 1 174 . 1 1 40 40 GLY H H 1 8.071 0.02 . 1 . . . . 41 GLY H . 19349 1 175 . 1 1 40 40 GLY C C 13 173.974 0.1 . 1 . . . . 41 GLY C . 19349 1 176 . 1 1 40 40 GLY CA C 13 45.176 0.1 . 1 . . . . 41 GLY CA . 19349 1 177 . 1 1 40 40 GLY N N 15 112.207 0.07 . 1 . . . . 41 GLY N . 19349 1 178 . 1 1 41 41 SER CA C 13 58.309 0.1 . 1 . . . . 42 SER CA . 19349 1 179 . 1 1 41 41 SER CB C 13 63.752 0.1 . 1 . . . . 42 SER CB . 19349 1 180 . 1 1 42 42 LYS C C 13 176.895 0.1 . 1 . . . . 43 LYS C . 19349 1 181 . 1 1 42 42 LYS CA C 13 56.408 0.1 . 1 . . . . 43 LYS CA . 19349 1 182 . 1 1 42 42 LYS CB C 13 32.973 0.1 . 1 . . . . 43 LYS CB . 19349 1 183 . 1 1 43 43 THR H H 1 8.204 0.02 . 1 . . . . 44 THR H . 19349 1 184 . 1 1 43 43 THR C C 13 174.632 0.1 . 1 . . . . 44 THR C . 19349 1 185 . 1 1 43 43 THR CA C 13 61.965 0.1 . 1 . . . . 44 THR CA . 19349 1 186 . 1 1 43 43 THR CB C 13 69.909 0.1 . 1 . . . . 44 THR CB . 19349 1 187 . 1 1 43 43 THR N N 15 115.529 0.07 . 1 . . . . 44 THR N . 19349 1 188 . 1 1 44 44 LYS H H 1 8.494 0.02 . 1 . . . . 45 LYS H . 19349 1 189 . 1 1 44 44 LYS CA C 13 56.411 0.1 . 1 . . . . 45 LYS CA . 19349 1 190 . 1 1 44 44 LYS CB C 13 33.158 0.1 . 1 . . . . 45 LYS CB . 19349 1 191 . 1 1 44 44 LYS N N 15 123.885 0.07 . 1 . . . . 45 LYS N . 19349 1 192 . 1 1 46 46 GLY C C 13 173.875 0.1 . 1 . . . . 47 GLY C . 19349 1 193 . 1 1 46 46 GLY CA C 13 45.194 0.1 . 1 . . . . 47 GLY CA . 19349 1 194 . 1 1 47 47 VAL H H 1 7.935 0.02 . 1 . . . . 48 VAL H . 19349 1 195 . 1 1 47 47 VAL C C 13 176.026 0.1 . 1 . . . . 48 VAL C . 19349 1 196 . 1 1 47 47 VAL CA C 13 62.432 0.1 . 1 . . . . 48 VAL CA . 19349 1 197 . 1 1 47 47 VAL CB C 13 32.795 0.1 . 1 . . . . 48 VAL CB . 19349 1 198 . 1 1 47 47 VAL N N 15 119.999 0.07 . 1 . . . . 48 VAL N . 19349 1 199 . 1 1 48 48 VAL H H 1 8.312 0.02 . 1 . . . . 49 VAL H . 19349 1 200 . 1 1 48 48 VAL C C 13 175.876 0.1 . 1 . . . . 49 VAL C . 19349 1 201 . 1 1 48 48 VAL CA C 13 62.200 0.1 . 1 . . . . 49 VAL CA . 19349 1 202 . 1 1 48 48 VAL CB C 13 32.742 0.1 . 1 . . . . 49 VAL CB . 19349 1 203 . 1 1 48 48 VAL N N 15 125.258 0.07 . 1 . . . . 49 VAL N . 19349 1 204 . 1 1 49 49 HIS H H 1 8.514 0.02 . 1 . . . . 50 HIS H . 19349 1 205 . 1 1 49 49 HIS C C 13 175.836 0.1 . 1 . . . . 50 HIS C . 19349 1 206 . 1 1 49 49 HIS CA C 13 56.418 0.1 . 1 . . . . 50 HIS CA . 19349 1 207 . 1 1 49 49 HIS CB C 13 31.074 0.1 . 1 . . . . 50 HIS CB . 19349 1 208 . 1 1 49 49 HIS N N 15 124.784 0.07 . 1 . . . . 50 HIS N . 19349 1 209 . 1 1 50 50 GLY H H 1 8.436 0.02 . 1 . . . . 51 GLY H . 19349 1 210 . 1 1 50 50 GLY C C 13 173.826 0.1 . 1 . . . . 51 GLY C . 19349 1 211 . 1 1 50 50 GLY CA C 13 45.250 0.1 . 1 . . . . 51 GLY CA . 19349 1 212 . 1 1 50 50 GLY N N 15 110.566 0.07 . 1 . . . . 51 GLY N . 19349 1 213 . 1 1 51 51 VAL H H 1 8.054 0.02 . 1 . . . . 52 VAL H . 19349 1 214 . 1 1 51 51 VAL C C 13 175.966 0.1 . 1 . . . . 52 VAL C . 19349 1 215 . 1 1 51 51 VAL CA C 13 62.036 0.1 . 1 . . . . 52 VAL CA . 19349 1 216 . 1 1 51 51 VAL CB C 13 32.912 0.1 . 1 . . . . 52 VAL CB . 19349 1 217 . 1 1 51 51 VAL N N 15 119.596 0.07 . 1 . . . . 52 VAL N . 19349 1 218 . 1 1 52 52 ALA H H 1 8.513 0.02 . 1 . . . . 53 ALA H . 19349 1 219 . 1 1 52 52 ALA C C 13 177.865 0.1 . 1 . . . . 53 ALA C . 19349 1 220 . 1 1 52 52 ALA CA C 13 52.490 0.1 . 1 . . . . 53 ALA CA . 19349 1 221 . 1 1 52 52 ALA CB C 13 19.230 0.1 . 1 . . . . 53 ALA CB . 19349 1 222 . 1 1 52 52 ALA N N 15 128.221 0.07 . 1 . . . . 53 ALA N . 19349 1 223 . 1 1 53 53 THR H H 1 8.243 0.02 . 1 . . . . 54 THR H . 19349 1 224 . 1 1 53 53 THR C C 13 174.575 0.1 . 1 . . . . 54 THR C . 19349 1 225 . 1 1 53 53 THR CA C 13 61.920 0.1 . 1 . . . . 54 THR CA . 19349 1 226 . 1 1 53 53 THR CB C 13 69.993 0.1 . 1 . . . . 54 THR CB . 19349 1 227 . 1 1 53 53 THR N N 15 114.892 0.07 . 1 . . . . 54 THR N . 19349 1 228 . 1 1 54 54 VAL H H 1 8.255 0.02 . 1 . . . . 55 VAL H . 19349 1 229 . 1 1 54 54 VAL C C 13 175.884 0.1 . 1 . . . . 55 VAL C . 19349 1 230 . 1 1 54 54 VAL CA C 13 62.324 0.1 . 1 . . . . 55 VAL CA . 19349 1 231 . 1 1 54 54 VAL CB C 13 32.801 0.1 . 1 . . . . 55 VAL CB . 19349 1 232 . 1 1 54 54 VAL N N 15 123.115 0.07 . 1 . . . . 55 VAL N . 19349 1 233 . 1 1 55 55 ALA H H 1 8.455 0.02 . 1 . . . . 56 ALA H . 19349 1 234 . 1 1 55 55 ALA C C 13 177.807 0.1 . 1 . . . . 56 ALA C . 19349 1 235 . 1 1 55 55 ALA CA C 13 52.519 0.1 . 1 . . . . 56 ALA CA . 19349 1 236 . 1 1 55 55 ALA CB C 13 19.058 0.1 . 1 . . . . 56 ALA CB . 19349 1 237 . 1 1 55 55 ALA N N 15 128.155 0.07 . 1 . . . . 56 ALA N . 19349 1 238 . 1 1 56 56 GLU H H 1 8.402 0.02 . 1 . . . . 57 GLU H . 19349 1 239 . 1 1 56 56 GLU C C 13 176.732 0.1 . 1 . . . . 57 GLU C . 19349 1 240 . 1 1 56 56 GLU CA C 13 56.673 0.1 . 1 . . . . 57 GLU CA . 19349 1 241 . 1 1 56 56 GLU CB C 13 30.375 0.1 . 1 . . . . 57 GLU CB . 19349 1 242 . 1 1 56 56 GLU N N 15 120.954 0.07 . 1 . . . . 57 GLU N . 19349 1 243 . 1 1 57 57 LYS H H 1 8.457 0.02 . 1 . . . . 58 LYS H . 19349 1 244 . 1 1 57 57 LYS C C 13 177.006 0.1 . 1 . . . . 58 LYS C . 19349 1 245 . 1 1 57 57 LYS CA C 13 56.585 0.1 . 1 . . . . 58 LYS CA . 19349 1 246 . 1 1 57 57 LYS CB C 13 33.071 0.1 . 1 . . . . 58 LYS CB . 19349 1 247 . 1 1 57 57 LYS N N 15 122.861 0.07 . 1 . . . . 58 LYS N . 19349 1 248 . 1 1 58 58 THR H H 1 8.234 0.02 . 1 . . . . 59 THR H . 19349 1 249 . 1 1 58 58 THR C C 13 174.670 0.1 . 1 . . . . 59 THR C . 19349 1 250 . 1 1 58 58 THR CA C 13 62.086 0.1 . 1 . . . . 59 THR CA . 19349 1 251 . 1 1 58 58 THR CB C 13 69.767 0.1 . 1 . . . . 59 THR CB . 19349 1 252 . 1 1 58 58 THR N N 15 115.986 0.07 . 1 . . . . 59 THR N . 19349 1 253 . 1 1 59 59 LYS H H 1 8.412 0.02 . 1 . . . . 60 LYS H . 19349 1 254 . 1 1 59 59 LYS CA C 13 56.712 0.1 . 1 . . . . 60 LYS CA . 19349 1 255 . 1 1 59 59 LYS CB C 13 32.984 0.1 . 1 . . . . 60 LYS CB . 19349 1 256 . 1 1 59 59 LYS N N 15 123.733 0.07 . 1 . . . . 60 LYS N . 19349 1 257 . 1 1 61 61 GLN H H 1 8.452 0.02 . 1 . . . . 62 GLN H . 19349 1 258 . 1 1 61 61 GLN C C 13 175.995 0.1 . 1 . . . . 62 GLN C . 19349 1 259 . 1 1 61 61 GLN CA C 13 55.854 0.1 . 1 . . . . 62 GLN CA . 19349 1 260 . 1 1 61 61 GLN CB C 13 29.515 0.1 . 1 . . . . 62 GLN CB . 19349 1 261 . 1 1 61 61 GLN N N 15 121.812 0.07 . 1 . . . . 62 GLN N . 19349 1 262 . 1 1 62 62 VAL H H 1 8.312 0.02 . 1 . . . . 63 VAL H . 19349 1 263 . 1 1 62 62 VAL C C 13 176.369 0.1 . 1 . . . . 63 VAL C . 19349 1 264 . 1 1 62 62 VAL CA C 13 62.373 0.1 . 1 . . . . 63 VAL CA . 19349 1 265 . 1 1 62 62 VAL CB C 13 32.897 0.1 . 1 . . . . 63 VAL CB . 19349 1 266 . 1 1 62 62 VAL N N 15 121.993 0.07 . 1 . . . . 63 VAL N . 19349 1 267 . 1 1 63 63 THR H H 1 8.328 0.02 . 1 . . . . 64 THR H . 19349 1 268 . 1 1 63 63 THR C C 13 174.070 0.1 . 1 . . . . 64 THR C . 19349 1 269 . 1 1 63 63 THR CA C 13 61.909 0.1 . 1 . . . . 64 THR CA . 19349 1 270 . 1 1 63 63 THR CB C 13 69.822 0.1 . 1 . . . . 64 THR CB . 19349 1 271 . 1 1 63 63 THR N N 15 118.142 0.07 . 1 . . . . 64 THR N . 19349 1 272 . 1 1 64 64 ASN H H 1 8.553 0.02 . 1 . . . . 65 ASN H . 19349 1 273 . 1 1 64 64 ASN C C 13 175.267 0.1 . 1 . . . . 65 ASN C . 19349 1 274 . 1 1 64 64 ASN CA C 13 53.133 0.1 . 1 . . . . 65 ASN CA . 19349 1 275 . 1 1 64 64 ASN CB C 13 38.934 0.1 . 1 . . . . 65 ASN CB . 19349 1 276 . 1 1 64 64 ASN N N 15 121.775 0.07 . 1 . . . . 65 ASN N . 19349 1 277 . 1 1 65 65 VAL H H 1 8.263 0.02 . 1 . . . . 66 VAL H . 19349 1 278 . 1 1 65 65 VAL C C 13 176.890 0.1 . 1 . . . . 66 VAL C . 19349 1 279 . 1 1 65 65 VAL CA C 13 62.686 0.1 . 1 . . . . 66 VAL CA . 19349 1 280 . 1 1 65 65 VAL CB C 13 32.441 0.1 . 1 . . . . 66 VAL CB . 19349 1 281 . 1 1 65 65 VAL N N 15 120.773 0.07 . 1 . . . . 66 VAL N . 19349 1 282 . 1 1 66 66 GLY H H 1 8.575 0.02 . 1 . . . . 67 GLY H . 19349 1 283 . 1 1 66 66 GLY C C 13 174.690 0.1 . 1 . . . . 67 GLY C . 19349 1 284 . 1 1 66 66 GLY CA C 13 45.350 0.1 . 1 . . . . 67 GLY CA . 19349 1 285 . 1 1 66 66 GLY N N 15 112.671 0.07 . 1 . . . . 67 GLY N . 19349 1 286 . 1 1 67 67 GLY H H 1 8.257 0.02 . 1 . . . . 68 GLY H . 19349 1 287 . 1 1 67 67 GLY C C 13 173.758 0.1 . 1 . . . . 68 GLY C . 19349 1 288 . 1 1 67 67 GLY CA C 13 45.089 0.1 . 1 . . . . 68 GLY CA . 19349 1 289 . 1 1 67 67 GLY N N 15 108.876 0.07 . 1 . . . . 68 GLY N . 19349 1 290 . 1 1 68 68 ALA H H 1 8.186 0.02 . 1 . . . . 69 ALA H . 19349 1 291 . 1 1 68 68 ALA C C 13 177.684 0.1 . 1 . . . . 69 ALA C . 19349 1 292 . 1 1 68 68 ALA CA C 13 52.317 0.1 . 1 . . . . 69 ALA CA . 19349 1 293 . 1 1 68 68 ALA CB C 13 19.400 0.1 . 1 . . . . 69 ALA CB . 19349 1 294 . 1 1 68 68 ALA N N 15 123.816 0.07 . 1 . . . . 69 ALA N . 19349 1 295 . 1 1 69 69 VAL H H 1 8.237 0.02 . 1 . . . . 70 VAL H . 19349 1 296 . 1 1 69 69 VAL C C 13 176.363 0.1 . 1 . . . . 70 VAL C . 19349 1 297 . 1 1 69 69 VAL CA C 13 62.410 0.1 . 1 . . . . 70 VAL CA . 19349 1 298 . 1 1 69 69 VAL CB C 13 32.621 0.1 . 1 . . . . 70 VAL CB . 19349 1 299 . 1 1 69 69 VAL N N 15 120.541 0.07 . 1 . . . . 70 VAL N . 19349 1 300 . 1 1 70 70 VAL H H 1 8.417 0.02 . 1 . . . . 71 VAL H . 19349 1 301 . 1 1 70 70 VAL C C 13 176.316 0.1 . 1 . . . . 71 VAL C . 19349 1 302 . 1 1 70 70 VAL CA C 13 62.202 0.1 . 1 . . . . 71 VAL CA . 19349 1 303 . 1 1 70 70 VAL CB C 13 32.776 0.1 . 1 . . . . 71 VAL CB . 19349 1 304 . 1 1 70 70 VAL N N 15 125.444 0.07 . 1 . . . . 71 VAL N . 19349 1 305 . 1 1 71 71 THR H H 1 8.333 0.02 . 1 . . . . 72 THR H . 19349 1 306 . 1 1 71 71 THR C C 13 174.934 0.1 . 1 . . . . 72 THR C . 19349 1 307 . 1 1 71 71 THR CA C 13 61.931 0.1 . 1 . . . . 72 THR CA . 19349 1 308 . 1 1 71 71 THR CB C 13 69.909 0.1 . 1 . . . . 72 THR CB . 19349 1 309 . 1 1 71 71 THR N N 15 118.681 0.07 . 1 . . . . 72 THR N . 19349 1 310 . 1 1 72 72 GLY H H 1 8.463 0.02 . 1 . . . . 73 GLY H . 19349 1 311 . 1 1 72 72 GLY C C 13 174.046 0.1 . 1 . . . . 73 GLY C . 19349 1 312 . 1 1 72 72 GLY CA C 13 45.274 0.1 . 1 . . . . 73 GLY CA . 19349 1 313 . 1 1 72 72 GLY N N 15 111.395 0.07 . 1 . . . . 73 GLY N . 19349 1 314 . 1 1 73 73 VAL H H 1 8.103 0.02 . 1 . . . . 74 VAL H . 19349 1 315 . 1 1 73 73 VAL C C 13 176.584 0.1 . 1 . . . . 74 VAL C . 19349 1 316 . 1 1 73 73 VAL CA C 13 62.300 0.1 . 1 . . . . 74 VAL CA . 19349 1 317 . 1 1 73 73 VAL CB C 13 32.813 0.1 . 1 . . . . 74 VAL CB . 19349 1 318 . 1 1 73 73 VAL N N 15 119.561 0.07 . 1 . . . . 74 VAL N . 19349 1 319 . 1 1 74 74 THR H H 1 8.324 0.02 . 1 . . . . 75 THR H . 19349 1 320 . 1 1 74 74 THR C C 13 174.106 0.1 . 1 . . . . 75 THR C . 19349 1 321 . 1 1 74 74 THR CA C 13 62.059 0.1 . 1 . . . . 75 THR CA . 19349 1 322 . 1 1 74 74 THR CB C 13 69.909 0.1 . 1 . . . . 75 THR CB . 19349 1 323 . 1 1 74 74 THR N N 15 118.977 0.07 . 1 . . . . 75 THR N . 19349 1 324 . 1 1 75 75 ALA H H 1 8.396 0.02 . 1 . . . . 76 ALA H . 19349 1 325 . 1 1 75 75 ALA C C 13 177.596 0.1 . 1 . . . . 76 ALA C . 19349 1 326 . 1 1 75 75 ALA CA C 13 52.432 0.1 . 1 . . . . 76 ALA CA . 19349 1 327 . 1 1 75 75 ALA CB C 13 19.240 0.1 . 1 . . . . 76 ALA CB . 19349 1 328 . 1 1 75 75 ALA N N 15 127.451 0.07 . 1 . . . . 76 ALA N . 19349 1 329 . 1 1 76 76 VAL H H 1 8.161 0.02 . 1 . . . . 77 VAL H . 19349 1 330 . 1 1 76 76 VAL C C 13 176.046 0.1 . 1 . . . . 77 VAL C . 19349 1 331 . 1 1 76 76 VAL CA C 13 62.204 0.1 . 1 . . . . 77 VAL CA . 19349 1 332 . 1 1 76 76 VAL CB C 13 32.800 0.1 . 1 . . . . 77 VAL CB . 19349 1 333 . 1 1 76 76 VAL N N 15 120.111 0.07 . 1 . . . . 77 VAL N . 19349 1 334 . 1 1 77 77 ALA H H 1 8.436 0.02 . 1 . . . . 78 ALA H . 19349 1 335 . 1 1 77 77 ALA C C 13 177.660 0.1 . 1 . . . . 78 ALA C . 19349 1 336 . 1 1 77 77 ALA CA C 13 52.511 0.1 . 1 . . . . 78 ALA CA . 19349 1 337 . 1 1 77 77 ALA CB C 13 19.135 0.1 . 1 . . . . 78 ALA CB . 19349 1 338 . 1 1 77 77 ALA N N 15 128.188 0.07 . 1 . . . . 78 ALA N . 19349 1 339 . 1 1 78 78 GLN H H 1 8.415 0.02 . 1 . . . . 79 GLN H . 19349 1 340 . 1 1 78 78 GLN C C 13 175.975 0.1 . 1 . . . . 79 GLN C . 19349 1 341 . 1 1 78 78 GLN CA C 13 55.751 0.1 . 1 . . . . 79 GLN CA . 19349 1 342 . 1 1 78 78 GLN CB C 13 29.609 0.1 . 1 . . . . 79 GLN CB . 19349 1 343 . 1 1 78 78 GLN N N 15 120.379 0.07 . 1 . . . . 79 GLN N . 19349 1 344 . 1 1 79 79 LYS H H 1 8.459 0.02 . 1 . . . . 80 LYS H . 19349 1 345 . 1 1 79 79 LYS C C 13 176.714 0.1 . 1 . . . . 80 LYS C . 19349 1 346 . 1 1 79 79 LYS CA C 13 56.447 0.1 . 1 . . . . 80 LYS CA . 19349 1 347 . 1 1 79 79 LYS CB C 13 33.158 0.1 . 1 . . . . 80 LYS CB . 19349 1 348 . 1 1 79 79 LYS N N 15 123.317 0.07 . 1 . . . . 80 LYS N . 19349 1 349 . 1 1 80 80 THR H H 1 8.316 0.02 . 1 . . . . 81 THR H . 19349 1 350 . 1 1 80 80 THR C C 13 174.468 0.1 . 1 . . . . 81 THR C . 19349 1 351 . 1 1 80 80 THR CA C 13 61.897 0.1 . 1 . . . . 81 THR CA . 19349 1 352 . 1 1 80 80 THR CB C 13 69.822 0.1 . 1 . . . . 81 THR CB . 19349 1 353 . 1 1 80 80 THR N N 15 116.960 0.07 . 1 . . . . 81 THR N . 19349 1 354 . 1 1 81 81 VAL H H 1 8.327 0.02 . 1 . . . . 82 VAL H . 19349 1 355 . 1 1 81 81 VAL C C 13 176.177 0.1 . 1 . . . . 82 VAL C . 19349 1 356 . 1 1 81 81 VAL CA C 13 62.303 0.1 . 1 . . . . 82 VAL CA . 19349 1 357 . 1 1 81 81 VAL CB C 13 32.737 0.1 . 1 . . . . 82 VAL CB . 19349 1 358 . 1 1 81 81 VAL N N 15 123.088 0.07 . 1 . . . . 82 VAL N . 19349 1 359 . 1 1 82 82 GLU H H 1 8.594 0.02 . 1 . . . . 83 GLU H . 19349 1 360 . 1 1 82 82 GLU C C 13 177.062 0.1 . 1 . . . . 83 GLU C . 19349 1 361 . 1 1 82 82 GLU CA C 13 56.757 0.1 . 1 . . . . 83 GLU CA . 19349 1 362 . 1 1 82 82 GLU CB C 13 30.369 0.1 . 1 . . . . 83 GLU CB . 19349 1 363 . 1 1 82 82 GLU N N 15 125.385 0.07 . 1 . . . . 83 GLU N . 19349 1 364 . 1 1 83 83 GLY H H 1 8.538 0.02 . 1 . . . . 84 GLY H . 19349 1 365 . 1 1 83 83 GLY C C 13 174.176 0.1 . 1 . . . . 84 GLY C . 19349 1 366 . 1 1 83 83 GLY CA C 13 45.350 0.1 . 1 . . . . 84 GLY CA . 19349 1 367 . 1 1 83 83 GLY N N 15 110.760 0.07 . 1 . . . . 84 GLY N . 19349 1 368 . 1 1 84 84 ALA H H 1 8.285 0.02 . 1 . . . . 85 ALA H . 19349 1 369 . 1 1 84 84 ALA C C 13 178.522 0.1 . 1 . . . . 85 ALA C . 19349 1 370 . 1 1 84 84 ALA CA C 13 52.925 0.1 . 1 . . . . 85 ALA CA . 19349 1 371 . 1 1 84 84 ALA CB C 13 19.311 0.1 . 1 . . . . 85 ALA CB . 19349 1 372 . 1 1 84 84 ALA N N 15 124.007 0.07 . 1 . . . . 85 ALA N . 19349 1 373 . 1 1 85 85 GLY H H 1 8.516 0.02 . 1 . . . . 86 GLY H . 19349 1 374 . 1 1 85 85 GLY C C 13 174.330 0.1 . 1 . . . . 86 GLY C . 19349 1 375 . 1 1 85 85 GLY CA C 13 45.348 0.1 . 1 . . . . 86 GLY CA . 19349 1 376 . 1 1 85 85 GLY N N 15 108.230 0.07 . 1 . . . . 86 GLY N . 19349 1 377 . 1 1 86 86 SER H H 1 8.174 0.02 . 1 . . . . 87 SER H . 19349 1 378 . 1 1 86 86 SER C C 13 174.746 0.1 . 1 . . . . 87 SER C . 19349 1 379 . 1 1 86 86 SER CA C 13 58.325 0.1 . 1 . . . . 87 SER CA . 19349 1 380 . 1 1 86 86 SER CB C 13 63.898 0.1 . 1 . . . . 87 SER CB . 19349 1 381 . 1 1 86 86 SER N N 15 115.748 0.07 . 1 . . . . 87 SER N . 19349 1 382 . 1 1 87 87 ILE H H 1 8.215 0.02 . 1 . . . . 88 ILE H . 19349 1 383 . 1 1 87 87 ILE C C 13 176.298 0.1 . 1 . . . . 88 ILE C . 19349 1 384 . 1 1 87 87 ILE CA C 13 61.292 0.1 . 1 . . . . 88 ILE CA . 19349 1 385 . 1 1 87 87 ILE CB C 13 38.545 0.1 . 1 . . . . 88 ILE CB . 19349 1 386 . 1 1 87 87 ILE N N 15 122.820 0.07 . 1 . . . . 88 ILE N . 19349 1 387 . 1 1 88 88 ALA H H 1 8.376 0.02 . 1 . . . . 89 ALA H . 19349 1 388 . 1 1 88 88 ALA C C 13 177.591 0.1 . 1 . . . . 89 ALA C . 19349 1 389 . 1 1 88 88 ALA CA C 13 52.579 0.1 . 1 . . . . 89 ALA CA . 19349 1 390 . 1 1 88 88 ALA CB C 13 19.135 0.1 . 1 . . . . 89 ALA CB . 19349 1 391 . 1 1 88 88 ALA N N 15 128.108 0.07 . 1 . . . . 89 ALA N . 19349 1 392 . 1 1 89 89 ALA H H 1 8.230 0.02 . 1 . . . . 90 ALA H . 19349 1 393 . 1 1 89 89 ALA C C 13 177.750 0.1 . 1 . . . . 90 ALA C . 19349 1 394 . 1 1 89 89 ALA CA C 13 52.530 0.1 . 1 . . . . 90 ALA CA . 19349 1 395 . 1 1 89 89 ALA CB C 13 19.112 0.1 . 1 . . . . 90 ALA CB . 19349 1 396 . 1 1 89 89 ALA N N 15 123.392 0.07 . 1 . . . . 90 ALA N . 19349 1 397 . 1 1 90 90 ALA H H 1 8.314 0.02 . 1 . . . . 91 ALA H . 19349 1 398 . 1 1 90 90 ALA C C 13 178.159 0.1 . 1 . . . . 91 ALA C . 19349 1 399 . 1 1 90 90 ALA CA C 13 52.614 0.1 . 1 . . . . 91 ALA CA . 19349 1 400 . 1 1 90 90 ALA CB C 13 19.048 0.1 . 1 . . . . 91 ALA CB . 19349 1 401 . 1 1 90 90 ALA N N 15 123.469 0.07 . 1 . . . . 91 ALA N . 19349 1 402 . 1 1 91 91 THR H H 1 8.112 0.02 . 1 . . . . 92 THR H . 19349 1 403 . 1 1 91 91 THR C C 13 175.179 0.1 . 1 . . . . 92 THR C . 19349 1 404 . 1 1 91 91 THR CA C 13 61.950 0.1 . 1 . . . . 92 THR CA . 19349 1 405 . 1 1 91 91 THR CB C 13 69.773 0.1 . 1 . . . . 92 THR CB . 19349 1 406 . 1 1 91 91 THR N N 15 112.665 0.07 . 1 . . . . 92 THR N . 19349 1 407 . 1 1 92 92 GLY H H 1 8.332 0.02 . 1 . . . . 93 GLY H . 19349 1 408 . 1 1 92 92 GLY C C 13 173.642 0.1 . 1 . . . . 93 GLY C . 19349 1 409 . 1 1 92 92 GLY CA C 13 45.215 0.1 . 1 . . . . 93 GLY CA . 19349 1 410 . 1 1 92 92 GLY N N 15 110.742 0.07 . 1 . . . . 93 GLY N . 19349 1 411 . 1 1 93 93 PHE H H 1 8.098 0.02 . 1 . . . . 94 PHE H . 19349 1 412 . 1 1 93 93 PHE C C 13 175.501 0.1 . 1 . . . . 94 PHE C . 19349 1 413 . 1 1 93 93 PHE CA C 13 57.814 0.1 . 1 . . . . 94 PHE CA . 19349 1 414 . 1 1 93 93 PHE CB C 13 39.654 0.1 . 1 . . . . 94 PHE CB . 19349 1 415 . 1 1 93 93 PHE N N 15 120.341 0.07 . 1 . . . . 94 PHE N . 19349 1 416 . 1 1 94 94 VAL H H 1 8.078 0.02 . 1 . . . . 95 VAL H . 19349 1 417 . 1 1 94 94 VAL C C 13 175.435 0.1 . 1 . . . . 95 VAL C . 19349 1 418 . 1 1 94 94 VAL CA C 13 62.007 0.1 . 1 . . . . 95 VAL CA . 19349 1 419 . 1 1 94 94 VAL CB C 13 33.115 0.1 . 1 . . . . 95 VAL CB . 19349 1 420 . 1 1 94 94 VAL N N 15 123.770 0.07 . 1 . . . . 95 VAL N . 19349 1 421 . 1 1 95 95 LYS H H 1 8.414 0.02 . 1 . . . . 96 LYS H . 19349 1 422 . 1 1 95 95 LYS C C 13 176.521 0.1 . 1 . . . . 96 LYS C . 19349 1 423 . 1 1 95 95 LYS CA C 13 56.387 0.1 . 1 . . . . 96 LYS CA . 19349 1 424 . 1 1 95 95 LYS CB C 13 33.066 0.1 . 1 . . . . 96 LYS CB . 19349 1 425 . 1 1 95 95 LYS N N 15 126.403 0.07 . 1 . . . . 96 LYS N . 19349 1 426 . 1 1 96 96 LYS H H 1 8.488 0.02 . 1 . . . . 97 LYS H . 19349 1 427 . 1 1 96 96 LYS C C 13 176.415 0.1 . 1 . . . . 97 LYS C . 19349 1 428 . 1 1 96 96 LYS CA C 13 56.411 0.1 . 1 . . . . 97 LYS CA . 19349 1 429 . 1 1 96 96 LYS CB C 13 33.090 0.1 . 1 . . . . 97 LYS CB . 19349 1 430 . 1 1 96 96 LYS N N 15 123.900 0.07 . 1 . . . . 97 LYS N . 19349 1 431 . 1 1 97 97 ASP H H 1 8.434 0.02 . 1 . . . . 98 ASP H . 19349 1 432 . 1 1 97 97 ASP C C 13 176.287 0.1 . 1 . . . . 98 ASP C . 19349 1 433 . 1 1 97 97 ASP CA C 13 54.487 0.1 . 1 . . . . 98 ASP CA . 19349 1 434 . 1 1 97 97 ASP CB C 13 41.017 0.1 . 1 . . . . 98 ASP CB . 19349 1 435 . 1 1 97 97 ASP N N 15 121.233 0.07 . 1 . . . . 98 ASP N . 19349 1 436 . 1 1 98 98 GLN H H 1 8.370 0.02 . 1 . . . . 99 GLN H . 19349 1 437 . 1 1 98 98 GLN C C 13 176.128 0.1 . 1 . . . . 99 GLN C . 19349 1 438 . 1 1 98 98 GLN CA C 13 56.062 0.1 . 1 . . . . 99 GLN CA . 19349 1 439 . 1 1 98 98 GLN CB C 13 29.374 0.1 . 1 . . . . 99 GLN CB . 19349 1 440 . 1 1 98 98 GLN N N 15 120.186 0.07 . 1 . . . . 99 GLN N . 19349 1 441 . 1 1 99 99 MET H H 1 8.432 0.02 . 1 . . . . 100 MET H . 19349 1 442 . 1 1 99 99 MET C C 13 176.843 0.1 . 1 . . . . 100 MET C . 19349 1 443 . 1 1 99 99 MET CA C 13 55.801 0.1 . 1 . . . . 100 MET CA . 19349 1 444 . 1 1 99 99 MET CB C 13 32.897 0.1 . 1 . . . . 100 MET CB . 19349 1 445 . 1 1 99 99 MET N N 15 120.983 0.07 . 1 . . . . 100 MET N . 19349 1 446 . 1 1 100 100 GLY C C 13 174.122 0.1 . 1 . . . . 101 GLY C . 19349 1 447 . 1 1 100 100 GLY CA C 13 45.311 0.1 . 1 . . . . 101 GLY CA . 19349 1 448 . 1 1 101 101 LYS H H 1 8.292 0.02 . 1 . . . . 102 LYS H . 19349 1 449 . 1 1 101 101 LYS C C 13 177.327 0.1 . 1 . . . . 102 LYS C . 19349 1 450 . 1 1 101 101 LYS CA C 13 56.363 0.1 . 1 . . . . 102 LYS CA . 19349 1 451 . 1 1 101 101 LYS CB C 13 32.984 0.1 . 1 . . . . 102 LYS CB . 19349 1 452 . 1 1 101 101 LYS N N 15 120.879 0.07 . 1 . . . . 102 LYS N . 19349 1 453 . 1 1 102 102 GLY H H 1 8.564 0.02 . 1 . . . . 103 GLY H . 19349 1 454 . 1 1 102 102 GLY C C 13 174.343 0.1 . 1 . . . . 103 GLY C . 19349 1 455 . 1 1 102 102 GLY CA C 13 45.328 0.1 . 1 . . . . 103 GLY CA . 19349 1 456 . 1 1 102 102 GLY N N 15 110.642 0.07 . 1 . . . . 103 GLY N . 19349 1 457 . 1 1 103 103 GLU H H 1 8.348 0.02 . 1 . . . . 104 GLU H . 19349 1 458 . 1 1 103 103 GLU C C 13 176.781 0.1 . 1 . . . . 104 GLU C . 19349 1 459 . 1 1 103 103 GLU CA C 13 56.438 0.1 . 1 . . . . 104 GLU CA . 19349 1 460 . 1 1 103 103 GLU CB C 13 30.331 0.1 . 1 . . . . 104 GLU CB . 19349 1 461 . 1 1 103 103 GLU N N 15 120.665 0.07 . 1 . . . . 104 GLU N . 19349 1 462 . 1 1 104 104 GLU H H 1 8.608 0.02 . 1 . . . . 105 GLU H . 19349 1 463 . 1 1 104 104 GLU C C 13 176.935 0.1 . 1 . . . . 105 GLU C . 19349 1 464 . 1 1 104 104 GLU CA C 13 56.965 0.1 . 1 . . . . 105 GLU CA . 19349 1 465 . 1 1 104 104 GLU CB C 13 30.045 0.1 . 1 . . . . 105 GLU CB . 19349 1 466 . 1 1 104 104 GLU N N 15 121.794 0.07 . 1 . . . . 105 GLU N . 19349 1 467 . 1 1 105 105 GLY H H 1 8.396 0.02 . 1 . . . . 106 GLY H . 19349 1 468 . 1 1 105 105 GLY C C 13 173.467 0.1 . 1 . . . . 106 GLY C . 19349 1 469 . 1 1 105 105 GLY CA C 13 45.030 0.1 . 1 . . . . 106 GLY CA . 19349 1 470 . 1 1 105 105 GLY N N 15 109.614 0.07 . 1 . . . . 106 GLY N . 19349 1 471 . 1 1 106 106 TYR H H 1 8.047 0.02 . 1 . . . . 107 TYR H . 19349 1 472 . 1 1 106 106 TYR C C 13 174.076 0.1 . 1 . . . . 107 TYR C . 19349 1 473 . 1 1 106 106 TYR CA C 13 55.801 0.1 . 1 . . . . 107 TYR CA . 19349 1 474 . 1 1 106 106 TYR CB C 13 38.104 0.1 . 1 . . . . 107 TYR CB . 19349 1 475 . 1 1 106 106 TYR N N 15 121.302 0.07 . 1 . . . . 107 TYR N . 19349 1 476 . 1 1 107 107 PRO C C 13 176.901 0.1 . 1 . . . . 108 PRO C . 19349 1 477 . 1 1 107 107 PRO CA C 13 63.225 0.1 . 1 . . . . 108 PRO CA . 19349 1 478 . 1 1 107 107 PRO CB C 13 31.995 0.1 . 1 . . . . 108 PRO CB . 19349 1 479 . 1 1 108 108 GLN H H 1 8.562 0.02 . 1 . . . . 109 GLN H . 19349 1 480 . 1 1 108 108 GLN C C 13 176.077 0.1 . 1 . . . . 109 GLN C . 19349 1 481 . 1 1 108 108 GLN CA C 13 55.847 0.1 . 1 . . . . 109 GLN CA . 19349 1 482 . 1 1 108 108 GLN CB C 13 29.593 0.1 . 1 . . . . 109 GLN CB . 19349 1 483 . 1 1 108 108 GLN N N 15 121.314 0.07 . 1 . . . . 109 GLN N . 19349 1 484 . 1 1 109 109 GLU H H 1 8.554 0.02 . 1 . . . . 110 GLU H . 19349 1 485 . 1 1 109 109 GLU C C 13 176.877 0.1 . 1 . . . . 110 GLU C . 19349 1 486 . 1 1 109 109 GLU CA C 13 56.672 0.1 . 1 . . . . 110 GLU CA . 19349 1 487 . 1 1 109 109 GLU CB C 13 30.633 0.1 . 1 . . . . 110 GLU CB . 19349 1 488 . 1 1 109 109 GLU N N 15 122.284 0.07 . 1 . . . . 110 GLU N . 19349 1 489 . 1 1 110 110 GLY H H 1 8.504 0.02 . 1 . . . . 111 GLY H . 19349 1 490 . 1 1 110 110 GLY C C 13 173.753 0.1 . 1 . . . . 111 GLY C . 19349 1 491 . 1 1 110 110 GLY CA C 13 45.176 0.1 . 1 . . . . 111 GLY CA . 19349 1 492 . 1 1 110 110 GLY N N 15 110.263 0.07 . 1 . . . . 111 GLY N . 19349 1 493 . 1 1 111 111 ILE H H 1 8.000 0.02 . 1 . . . . 112 ILE H . 19349 1 494 . 1 1 111 111 ILE C C 13 176.270 0.1 . 1 . . . . 112 ILE C . 19349 1 495 . 1 1 111 111 ILE CA C 13 60.905 0.1 . 1 . . . . 112 ILE CA . 19349 1 496 . 1 1 111 111 ILE CB C 13 38.569 0.1 . 1 . . . . 112 ILE CB . 19349 1 497 . 1 1 111 111 ILE N N 15 120.148 0.07 . 1 . . . . 112 ILE N . 19349 1 498 . 1 1 112 112 LEU H H 1 8.429 0.02 . 1 . . . . 113 LEU H . 19349 1 499 . 1 1 112 112 LEU C C 13 177.184 0.1 . 1 . . . . 113 LEU C . 19349 1 500 . 1 1 112 112 LEU CA C 13 54.986 0.1 . 1 . . . . 113 LEU CA . 19349 1 501 . 1 1 112 112 LEU CB C 13 42.267 0.1 . 1 . . . . 113 LEU CB . 19349 1 502 . 1 1 112 112 LEU N N 15 127.069 0.07 . 1 . . . . 113 LEU N . 19349 1 503 . 1 1 113 113 GLU H H 1 8.448 0.02 . 1 . . . . 114 GLU H . 19349 1 504 . 1 1 113 113 GLU C C 13 175.906 0.1 . 1 . . . . 114 GLU C . 19349 1 505 . 1 1 113 113 GLU CA C 13 56.388 0.1 . 1 . . . . 114 GLU CA . 19349 1 506 . 1 1 113 113 GLU CB C 13 30.459 0.1 . 1 . . . . 114 GLU CB . 19349 1 507 . 1 1 113 113 GLU N N 15 122.303 0.07 . 1 . . . . 114 GLU N . 19349 1 508 . 1 1 114 114 ASP H H 1 8.384 0.02 . 1 . . . . 115 ASP H . 19349 1 509 . 1 1 114 114 ASP C C 13 175.803 0.1 . 1 . . . . 115 ASP C . 19349 1 510 . 1 1 114 114 ASP CA C 13 54.320 0.1 . 1 . . . . 115 ASP CA . 19349 1 511 . 1 1 114 114 ASP CB C 13 41.161 0.1 . 1 . . . . 115 ASP CB . 19349 1 512 . 1 1 114 114 ASP N N 15 121.454 0.07 . 1 . . . . 115 ASP N . 19349 1 513 . 1 1 115 115 MET H H 1 8.274 0.02 . 1 . . . . 116 MET H . 19349 1 514 . 1 1 115 115 MET C C 13 174.090 0.1 . 1 . . . . 116 MET C . 19349 1 515 . 1 1 115 115 MET CA C 13 53.362 0.1 . 1 . . . . 116 MET CA . 19349 1 516 . 1 1 115 115 MET CB C 13 32.549 0.1 . 1 . . . . 116 MET CB . 19349 1 517 . 1 1 115 115 MET N N 15 122.046 0.07 . 1 . . . . 116 MET N . 19349 1 518 . 1 1 116 116 PRO C C 13 176.766 0.1 . 1 . . . . 117 PRO C . 19349 1 519 . 1 1 116 116 PRO CA C 13 62.804 0.1 . 1 . . . . 117 PRO CA . 19349 1 520 . 1 1 116 116 PRO CB C 13 32.054 0.1 . 1 . . . . 117 PRO CB . 19349 1 521 . 1 1 117 117 VAL H H 1 8.329 0.02 . 1 . . . . 118 VAL H . 19349 1 522 . 1 1 117 117 VAL C C 13 175.826 0.1 . 1 . . . . 118 VAL C . 19349 1 523 . 1 1 117 117 VAL CA C 13 61.944 0.1 . 1 . . . . 118 VAL CA . 19349 1 524 . 1 1 117 117 VAL CB C 13 32.907 0.1 . 1 . . . . 118 VAL CB . 19349 1 525 . 1 1 117 117 VAL N N 15 120.972 0.07 . 1 . . . . 118 VAL N . 19349 1 526 . 1 1 118 118 ASP H H 1 8.574 0.02 . 1 . . . . 119 ASP H . 19349 1 527 . 1 1 118 118 ASP C C 13 174.872 0.1 . 1 . . . . 119 ASP C . 19349 1 528 . 1 1 118 118 ASP CA C 13 51.977 0.1 . 1 . . . . 119 ASP CA . 19349 1 529 . 1 1 118 118 ASP CB C 13 41.287 0.1 . 1 . . . . 119 ASP CB . 19349 1 530 . 1 1 118 118 ASP N N 15 126.159 0.07 . 1 . . . . 119 ASP N . 19349 1 531 . 1 1 119 119 PRO C C 13 177.657 0.1 . 1 . . . . 120 PRO C . 19349 1 532 . 1 1 119 119 PRO CA C 13 63.660 0.1 . 1 . . . . 120 PRO CA . 19349 1 533 . 1 1 119 119 PRO CB C 13 32.059 0.1 . 1 . . . . 120 PRO CB . 19349 1 534 . 1 1 120 120 GLY H H 1 8.566 0.02 . 1 . . . . 121 GLY H . 19349 1 535 . 1 1 120 120 GLY C C 13 174.585 0.1 . 1 . . . . 121 GLY C . 19349 1 536 . 1 1 120 120 GLY CA C 13 45.324 0.1 . 1 . . . . 121 GLY CA . 19349 1 537 . 1 1 120 120 GLY N N 15 108.987 0.07 . 1 . . . . 121 GLY N . 19349 1 538 . 1 1 121 121 SER H H 1 8.124 0.02 . 1 . . . . 122 SER H . 19349 1 539 . 1 1 121 121 SER C C 13 174.823 0.1 . 1 . . . . 122 SER C . 19349 1 540 . 1 1 121 121 SER CA C 13 58.547 0.1 . 1 . . . . 122 SER CA . 19349 1 541 . 1 1 121 121 SER CB C 13 63.877 0.1 . 1 . . . . 122 SER CB . 19349 1 542 . 1 1 121 121 SER N N 15 115.704 0.07 . 1 . . . . 122 SER N . 19349 1 543 . 1 1 122 122 GLU H H 1 8.543 0.02 . 1 . . . . 123 GLU H . 19349 1 544 . 1 1 122 122 GLU C C 13 176.177 0.1 . 1 . . . . 123 GLU C . 19349 1 545 . 1 1 122 122 GLU CA C 13 56.802 0.1 . 1 . . . . 123 GLU CA . 19349 1 546 . 1 1 122 122 GLU CB C 13 30.008 0.1 . 1 . . . . 123 GLU CB . 19349 1 547 . 1 1 122 122 GLU N N 15 122.971 0.07 . 1 . . . . 123 GLU N . 19349 1 548 . 1 1 123 123 ALA H H 1 8.219 0.02 . 1 . . . . 124 ALA H . 19349 1 549 . 1 1 123 123 ALA C C 13 177.181 0.1 . 1 . . . . 124 ALA C . 19349 1 550 . 1 1 123 123 ALA CA C 13 52.293 0.1 . 1 . . . . 124 ALA CA . 19349 1 551 . 1 1 123 123 ALA CB C 13 19.228 0.1 . 1 . . . . 124 ALA CB . 19349 1 552 . 1 1 123 123 ALA N N 15 124.433 0.07 . 1 . . . . 124 ALA N . 19349 1 553 . 1 1 124 124 TYR H H 1 8.030 0.02 . 1 . . . . 125 TYR H . 19349 1 554 . 1 1 124 124 TYR C C 13 175.349 0.1 . 1 . . . . 125 TYR C . 19349 1 555 . 1 1 124 124 TYR CA C 13 57.663 0.1 . 1 . . . . 125 TYR CA . 19349 1 556 . 1 1 124 124 TYR CB C 13 38.883 0.1 . 1 . . . . 125 TYR CB . 19349 1 557 . 1 1 124 124 TYR N N 15 119.927 0.07 . 1 . . . . 125 TYR N . 19349 1 558 . 1 1 125 125 GLU H H 1 8.158 0.02 . 1 . . . . 126 GLU H . 19349 1 559 . 1 1 125 125 GLU C C 13 175.473 0.1 . 1 . . . . 126 GLU C . 19349 1 560 . 1 1 125 125 GLU CA C 13 55.654 0.1 . 1 . . . . 126 GLU CA . 19349 1 561 . 1 1 125 125 GLU CB C 13 30.761 0.1 . 1 . . . . 126 GLU CB . 19349 1 562 . 1 1 125 125 GLU N N 15 123.841 0.07 . 1 . . . . 126 GLU N . 19349 1 563 . 1 1 126 126 MET H H 1 8.439 0.02 . 1 . . . . 127 MET H . 19349 1 564 . 1 1 126 126 MET C C 13 174.261 0.1 . 1 . . . . 127 MET C . 19349 1 565 . 1 1 126 126 MET CA C 13 53.301 0.1 . 1 . . . . 127 MET CA . 19349 1 566 . 1 1 126 126 MET CB C 13 32.462 0.1 . 1 . . . . 127 MET CB . 19349 1 567 . 1 1 126 126 MET N N 15 123.888 0.07 . 1 . . . . 127 MET N . 19349 1 568 . 1 1 127 127 PRO C C 13 176.915 0.1 . 1 . . . . 128 PRO C . 19349 1 569 . 1 1 127 127 PRO CA C 13 63.030 0.1 . 1 . . . . 128 PRO CA . 19349 1 570 . 1 1 127 127 PRO CB C 13 32.121 0.1 . 1 . . . . 128 PRO CB . 19349 1 571 . 1 1 128 128 SER H H 1 8.510 0.02 . 1 . . . . 129 SER H . 19349 1 572 . 1 1 128 128 SER C C 13 174.827 0.1 . 1 . . . . 129 SER C . 19349 1 573 . 1 1 128 128 SER CA C 13 58.221 0.1 . 1 . . . . 129 SER CA . 19349 1 574 . 1 1 128 128 SER CB C 13 63.791 0.1 . 1 . . . . 129 SER CB . 19349 1 575 . 1 1 128 128 SER N N 15 116.835 0.07 . 1 . . . . 129 SER N . 19349 1 576 . 1 1 129 129 GLU H H 1 8.598 0.02 . 1 . . . . 130 GLU H . 19349 1 577 . 1 1 129 129 GLU C C 13 176.552 0.1 . 1 . . . . 130 GLU C . 19349 1 578 . 1 1 129 129 GLU CA C 13 56.540 0.1 . 1 . . . . 130 GLU CA . 19349 1 579 . 1 1 129 129 GLU CB C 13 30.320 0.1 . 1 . . . . 130 GLU CB . 19349 1 580 . 1 1 129 129 GLU N N 15 123.257 0.07 . 1 . . . . 130 GLU N . 19349 1 581 . 1 1 130 130 GLU H H 1 8.488 0.02 . 1 . . . . 131 GLU H . 19349 1 582 . 1 1 130 130 GLU C C 13 177.004 0.1 . 1 . . . . 131 GLU C . 19349 1 583 . 1 1 130 130 GLU CA C 13 56.843 0.1 . 1 . . . . 131 GLU CA . 19349 1 584 . 1 1 130 130 GLU CB C 13 30.130 0.1 . 1 . . . . 131 GLU CB . 19349 1 585 . 1 1 130 130 GLU N N 15 122.047 0.07 . 1 . . . . 131 GLU N . 19349 1 586 . 1 1 131 131 GLY H H 1 8.434 0.02 . 1 . . . . 132 GLY H . 19349 1 587 . 1 1 131 131 GLY C C 13 173.865 0.1 . 1 . . . . 132 GLY C . 19349 1 588 . 1 1 131 131 GLY CA C 13 45.162 0.1 . 1 . . . . 132 GLY CA . 19349 1 589 . 1 1 131 131 GLY N N 15 110.001 0.07 . 1 . . . . 132 GLY N . 19349 1 590 . 1 1 132 132 TYR H H 1 8.088 0.02 . 1 . . . . 133 TYR H . 19349 1 591 . 1 1 132 132 TYR C C 13 175.771 0.1 . 1 . . . . 133 TYR C . 19349 1 592 . 1 1 132 132 TYR CA C 13 58.222 0.1 . 1 . . . . 133 TYR CA . 19349 1 593 . 1 1 132 132 TYR CB C 13 38.827 0.1 . 1 . . . . 133 TYR CB . 19349 1 594 . 1 1 132 132 TYR N N 15 120.362 0.07 . 1 . . . . 133 TYR N . 19349 1 595 . 1 1 133 133 GLN H H 1 8.250 0.02 . 1 . . . . 134 GLN H . 19349 1 596 . 1 1 133 133 GLN C C 13 174.891 0.1 . 1 . . . . 134 GLN C . 19349 1 597 . 1 1 133 133 GLN CA C 13 55.365 0.1 . 1 . . . . 134 GLN CA . 19349 1 598 . 1 1 133 133 GLN CB C 13 29.849 0.1 . 1 . . . . 134 GLN CB . 19349 1 599 . 1 1 133 133 GLN N N 15 122.814 0.07 . 1 . . . . 134 GLN N . 19349 1 600 . 1 1 134 134 ASP H H 1 8.258 0.02 . 1 . . . . 135 ASP H . 19349 1 601 . 1 1 134 134 ASP C C 13 175.540 0.1 . 1 . . . . 135 ASP C . 19349 1 602 . 1 1 134 134 ASP CA C 13 54.255 0.1 . 1 . . . . 135 ASP CA . 19349 1 603 . 1 1 134 134 ASP CB C 13 41.115 0.1 . 1 . . . . 135 ASP CB . 19349 1 604 . 1 1 134 134 ASP N N 15 121.769 0.07 . 1 . . . . 135 ASP N . 19349 1 605 . 1 1 135 135 TYR H H 1 8.058 0.02 . 1 . . . . 136 TYR H . 19349 1 606 . 1 1 135 135 TYR C C 13 175.097 0.1 . 1 . . . . 136 TYR C . 19349 1 607 . 1 1 135 135 TYR CA C 13 57.528 0.1 . 1 . . . . 136 TYR CA . 19349 1 608 . 1 1 135 135 TYR CB C 13 39.059 0.1 . 1 . . . . 136 TYR CB . 19349 1 609 . 1 1 135 135 TYR N N 15 120.553 0.07 . 1 . . . . 136 TYR N . 19349 1 610 . 1 1 136 136 GLU H H 1 8.277 0.02 . 1 . . . . 137 GLU H . 19349 1 611 . 1 1 136 136 GLU C C 13 173.724 0.1 . 1 . . . . 137 GLU C . 19349 1 612 . 1 1 136 136 GLU CA C 13 53.566 0.1 . 1 . . . . 137 GLU CA . 19349 1 613 . 1 1 136 136 GLU CB C 13 30.289 0.1 . 1 . . . . 137 GLU CB . 19349 1 614 . 1 1 136 136 GLU N N 15 125.504 0.07 . 1 . . . . 137 GLU N . 19349 1 615 . 1 1 137 137 PRO C C 13 176.896 0.1 . 1 . . . . 138 PRO C . 19349 1 616 . 1 1 137 137 PRO CA C 13 62.963 0.1 . 1 . . . . 138 PRO CA . 19349 1 617 . 1 1 137 137 PRO CB C 13 32.231 0.1 . 1 . . . . 138 PRO CB . 19349 1 618 . 1 1 138 138 GLU H H 1 8.543 0.02 . 1 . . . . 139 GLU H . 19349 1 619 . 1 1 138 138 GLU C C 13 175.425 0.1 . 1 . . . . 139 GLU C . 19349 1 620 . 1 1 138 138 GLU CA C 13 56.600 0.1 . 1 . . . . 139 GLU CA . 19349 1 621 . 1 1 138 138 GLU CB C 13 30.371 0.1 . 1 . . . . 139 GLU CB . 19349 1 622 . 1 1 138 138 GLU N N 15 121.662 0.07 . 1 . . . . 139 GLU N . 19349 1 623 . 1 1 139 139 ALA H H 1 8.017 0.02 . 1 . . . . 140 ALA H . 19349 1 624 . 1 1 139 139 ALA CA C 13 53.801 0.1 . 1 . . . . 140 ALA CA . 19349 1 625 . 1 1 139 139 ALA CB C 13 20.232 0.1 . 1 . . . . 140 ALA CB . 19349 1 626 . 1 1 139 139 ALA N N 15 130.992 0.07 . 1 . . . . 140 ALA N . 19349 1 stop_ save_