data_18232 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18232 _Entry.Title ; Solid-state NMR assignments for mouse alpha-synuclein fibrils ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-31 _Entry.Accession_date 2012-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Guohua Lv . . . 18232 2 Ashutosh Kumar . . . 18232 3 Karin Giller . . . 18232 4 Maria Orcellet . . . 18232 5 Dietmar Riedel . . . 18232 6 Claudio Fernandez . . . 18232 7 Stefan Becker . . . 18232 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18232 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 213 18232 '15N chemical shifts' 60 18232 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 2 . . 2012-06-18 2012-01-31 update BMRB 'update entry citation' 18232 1 . . 2012-04-23 2012-01-31 original author 'original release' 18232 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18232 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22516611 _Citation.Full_citation . _Citation.Title 'Structural Comparison of Mouse and Human -Synuclein Amyloid Fibrils by Solid-State NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 420 _Citation.Journal_issue 1-2 _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 99 _Citation.Page_last 111 _Citation.Year 2012 _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 Guohua Lv . . . 18232 1 2 Ashutosh Kumar . . . 18232 1 3 Karin Giller . . . 18232 1 4 Maria Orcellet . L. . 18232 1 5 Dietmar Riedel . . . 18232 1 6 Claudio Fernandez . O. . 18232 1 7 Stefan Becker . . . 18232 1 8 Adam Lange . . . 18232 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18232 _Assembly.ID 1 _Assembly.Name 'mouse alpha-synuclein fibrils' _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 'mouse alpha-synuclein' 1 $mouse_alpha-synuclein A . yes native no no . . . 18232 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mouse_alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode mouse_alpha-synuclein _Entity.Entry_ID 18232 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mouse_alpha-synuclein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVTTVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGNIAAATGFVKKDQM GKGEEGYPQEGILEDMPVDP GSEAYEMPSEEGYQDYEPEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19346 . aSyn_mouse . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 2 no BMRB 19347 . aSyn_mouse_T53A . . . . . 100.00 140 99.29 99.29 2.44e-88 . . . . 18232 1 3 no BMRB 19348 . aSyn_mouse_N87S . . . . . 99.29 139 99.28 100.00 2.05e-87 . . . . 18232 1 4 no BMRB 19349 . aSyn_mouse_T53A&N87S . . . . . 99.29 139 98.56 99.28 1.23e-86 . . . . 18232 1 5 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 100.00 100.00 2.83e-58 . . . . 18232 1 6 no DBJ BAE33670 . "unnamed protein product [Mus musculus]" . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 7 no GB AAB20688 . "synuclein SYN1 [Rattus sp.]" . . . . . 100.00 140 99.29 99.29 1.43e-88 . . . . 18232 1 8 no GB AAC00521 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 99.29 99.29 2.58e-88 . . . . 18232 1 9 no GB AAC16026 . "synuclein 1 [Rattus norvegicus]" . . . . . 100.00 140 99.29 99.29 1.43e-88 . . . . 18232 1 10 no GB AAD11254 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 11 no GB AAD56907 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 12 no REF NP_001035916 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 13 no REF NP_033247 . "alpha-synuclein [Mus musculus]" . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 14 no REF NP_062042 . "alpha-synuclein [Rattus norvegicus]" . . . . . 100.00 140 99.29 99.29 1.43e-88 . . . . 18232 1 15 no REF XP_003503776 . "PREDICTED: alpha-synuclein [Cricetulus griseus]" . . . . . 100.00 140 99.29 100.00 1.09e-88 . . . . 18232 1 16 no REF XP_004648456 . "PREDICTED: alpha-synuclein isoform X1 [Octodon degus]" . . . . . 100.00 140 97.14 97.86 5.26e-86 . . . . 18232 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" . . . . . 100.00 140 100.00 100.00 3.58e-89 . . . . 18232 1 18 no SP P37377 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 99.29 1.43e-88 . . . . 18232 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18232 1 2 . ASP . 18232 1 3 . VAL . 18232 1 4 . PHE . 18232 1 5 . MET . 18232 1 6 . LYS . 18232 1 7 . GLY . 18232 1 8 . LEU . 18232 1 9 . SER . 18232 1 10 . LYS . 18232 1 11 . ALA . 18232 1 12 . LYS . 18232 1 13 . GLU . 18232 1 14 . GLY . 18232 1 15 . VAL . 18232 1 16 . VAL . 18232 1 17 . ALA . 18232 1 18 . ALA . 18232 1 19 . ALA . 18232 1 20 . GLU . 18232 1 21 . LYS . 18232 1 22 . THR . 18232 1 23 . LYS . 18232 1 24 . GLN . 18232 1 25 . GLY . 18232 1 26 . VAL . 18232 1 27 . ALA . 18232 1 28 . GLU . 18232 1 29 . ALA . 18232 1 30 . ALA . 18232 1 31 . GLY . 18232 1 32 . LYS . 18232 1 33 . THR . 18232 1 34 . LYS . 18232 1 35 . GLU . 18232 1 36 . GLY . 18232 1 37 . VAL . 18232 1 38 . LEU . 18232 1 39 . TYR . 18232 1 40 . VAL . 18232 1 41 . GLY . 18232 1 42 . SER . 18232 1 43 . LYS . 18232 1 44 . THR . 18232 1 45 . LYS . 18232 1 46 . GLU . 18232 1 47 . GLY . 18232 1 48 . VAL . 18232 1 49 . VAL . 18232 1 50 . HIS . 18232 1 51 . GLY . 18232 1 52 . VAL . 18232 1 53 . THR . 18232 1 54 . THR . 18232 1 55 . VAL . 18232 1 56 . ALA . 18232 1 57 . GLU . 18232 1 58 . LYS . 18232 1 59 . THR . 18232 1 60 . LYS . 18232 1 61 . GLU . 18232 1 62 . GLN . 18232 1 63 . VAL . 18232 1 64 . THR . 18232 1 65 . ASN . 18232 1 66 . VAL . 18232 1 67 . GLY . 18232 1 68 . GLY . 18232 1 69 . ALA . 18232 1 70 . VAL . 18232 1 71 . VAL . 18232 1 72 . THR . 18232 1 73 . GLY . 18232 1 74 . VAL . 18232 1 75 . THR . 18232 1 76 . ALA . 18232 1 77 . VAL . 18232 1 78 . ALA . 18232 1 79 . GLN . 18232 1 80 . LYS . 18232 1 81 . THR . 18232 1 82 . VAL . 18232 1 83 . GLU . 18232 1 84 . GLY . 18232 1 85 . ALA . 18232 1 86 . GLY . 18232 1 87 . ASN . 18232 1 88 . ILE . 18232 1 89 . ALA . 18232 1 90 . ALA . 18232 1 91 . ALA . 18232 1 92 . THR . 18232 1 93 . GLY . 18232 1 94 . PHE . 18232 1 95 . VAL . 18232 1 96 . LYS . 18232 1 97 . LYS . 18232 1 98 . ASP . 18232 1 99 . GLN . 18232 1 100 . MET . 18232 1 101 . GLY . 18232 1 102 . LYS . 18232 1 103 . GLY . 18232 1 104 . GLU . 18232 1 105 . GLU . 18232 1 106 . GLY . 18232 1 107 . TYR . 18232 1 108 . PRO . 18232 1 109 . GLN . 18232 1 110 . GLU . 18232 1 111 . GLY . 18232 1 112 . ILE . 18232 1 113 . LEU . 18232 1 114 . GLU . 18232 1 115 . ASP . 18232 1 116 . MET . 18232 1 117 . PRO . 18232 1 118 . VAL . 18232 1 119 . ASP . 18232 1 120 . PRO . 18232 1 121 . GLY . 18232 1 122 . SER . 18232 1 123 . GLU . 18232 1 124 . ALA . 18232 1 125 . TYR . 18232 1 126 . GLU . 18232 1 127 . MET . 18232 1 128 . PRO . 18232 1 129 . SER . 18232 1 130 . GLU . 18232 1 131 . GLU . 18232 1 132 . GLY . 18232 1 133 . TYR . 18232 1 134 . GLN . 18232 1 135 . ASP . 18232 1 136 . TYR . 18232 1 137 . GLU . 18232 1 138 . PRO . 18232 1 139 . GLU . 18232 1 140 . ALA . 18232 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18232 1 . ASP 2 2 18232 1 . VAL 3 3 18232 1 . PHE 4 4 18232 1 . MET 5 5 18232 1 . LYS 6 6 18232 1 . GLY 7 7 18232 1 . LEU 8 8 18232 1 . SER 9 9 18232 1 . LYS 10 10 18232 1 . ALA 11 11 18232 1 . LYS 12 12 18232 1 . GLU 13 13 18232 1 . GLY 14 14 18232 1 . VAL 15 15 18232 1 . VAL 16 16 18232 1 . ALA 17 17 18232 1 . ALA 18 18 18232 1 . ALA 19 19 18232 1 . GLU 20 20 18232 1 . LYS 21 21 18232 1 . THR 22 22 18232 1 . LYS 23 23 18232 1 . GLN 24 24 18232 1 . GLY 25 25 18232 1 . VAL 26 26 18232 1 . ALA 27 27 18232 1 . GLU 28 28 18232 1 . ALA 29 29 18232 1 . ALA 30 30 18232 1 . GLY 31 31 18232 1 . LYS 32 32 18232 1 . THR 33 33 18232 1 . LYS 34 34 18232 1 . GLU 35 35 18232 1 . GLY 36 36 18232 1 . VAL 37 37 18232 1 . LEU 38 38 18232 1 . TYR 39 39 18232 1 . VAL 40 40 18232 1 . GLY 41 41 18232 1 . SER 42 42 18232 1 . LYS 43 43 18232 1 . THR 44 44 18232 1 . LYS 45 45 18232 1 . GLU 46 46 18232 1 . GLY 47 47 18232 1 . VAL 48 48 18232 1 . VAL 49 49 18232 1 . HIS 50 50 18232 1 . GLY 51 51 18232 1 . VAL 52 52 18232 1 . THR 53 53 18232 1 . THR 54 54 18232 1 . VAL 55 55 18232 1 . ALA 56 56 18232 1 . GLU 57 57 18232 1 . LYS 58 58 18232 1 . THR 59 59 18232 1 . LYS 60 60 18232 1 . GLU 61 61 18232 1 . GLN 62 62 18232 1 . VAL 63 63 18232 1 . THR 64 64 18232 1 . ASN 65 65 18232 1 . VAL 66 66 18232 1 . GLY 67 67 18232 1 . GLY 68 68 18232 1 . ALA 69 69 18232 1 . VAL 70 70 18232 1 . VAL 71 71 18232 1 . THR 72 72 18232 1 . GLY 73 73 18232 1 . VAL 74 74 18232 1 . THR 75 75 18232 1 . ALA 76 76 18232 1 . VAL 77 77 18232 1 . ALA 78 78 18232 1 . GLN 79 79 18232 1 . LYS 80 80 18232 1 . THR 81 81 18232 1 . VAL 82 82 18232 1 . GLU 83 83 18232 1 . GLY 84 84 18232 1 . ALA 85 85 18232 1 . GLY 86 86 18232 1 . ASN 87 87 18232 1 . ILE 88 88 18232 1 . ALA 89 89 18232 1 . ALA 90 90 18232 1 . ALA 91 91 18232 1 . THR 92 92 18232 1 . GLY 93 93 18232 1 . PHE 94 94 18232 1 . VAL 95 95 18232 1 . LYS 96 96 18232 1 . LYS 97 97 18232 1 . ASP 98 98 18232 1 . GLN 99 99 18232 1 . MET 100 100 18232 1 . GLY 101 101 18232 1 . LYS 102 102 18232 1 . GLY 103 103 18232 1 . GLU 104 104 18232 1 . GLU 105 105 18232 1 . GLY 106 106 18232 1 . TYR 107 107 18232 1 . PRO 108 108 18232 1 . GLN 109 109 18232 1 . GLU 110 110 18232 1 . GLY 111 111 18232 1 . ILE 112 112 18232 1 . LEU 113 113 18232 1 . GLU 114 114 18232 1 . ASP 115 115 18232 1 . MET 116 116 18232 1 . PRO 117 117 18232 1 . VAL 118 118 18232 1 . ASP 119 119 18232 1 . PRO 120 120 18232 1 . GLY 121 121 18232 1 . SER 122 122 18232 1 . GLU 123 123 18232 1 . ALA 124 124 18232 1 . TYR 125 125 18232 1 . GLU 126 126 18232 1 . MET 127 127 18232 1 . PRO 128 128 18232 1 . SER 129 129 18232 1 . GLU 130 130 18232 1 . GLU 131 131 18232 1 . GLY 132 132 18232 1 . TYR 133 133 18232 1 . GLN 134 134 18232 1 . ASP 135 135 18232 1 . TYR 136 136 18232 1 . GLU 137 137 18232 1 . PRO 138 138 18232 1 . GLU 139 139 18232 1 . ALA 140 140 18232 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 18232 _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 $mouse_alpha-synuclein . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18232 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 18232 _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 $mouse_alpha-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'PT-7-7-mouse alpha-synuclein' . . . . . . 18232 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18232 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'mouse alpha-synuclein' '[U-100% 13C; U-100% 15N]' . . 1 $mouse_alpha-synuclein . . 10 . . mg . . . . 18232 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 18232 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18232 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'mouse alpha-synuclein' '[2-Glucose 13C; U-100% 15N]' . . 1 $mouse_alpha-synuclein . . 10 . . mg . . . . 18232 2 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 18232 2 3 DSS 'natural abundance' . . . . . . 0.1-0.5 . . mg . . . . 18232 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18232 _Sample.ID 3 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'mouse alpha-synuclein' '[1-Glucose 13C; U-100% 15N]' . . 1 $mouse_alpha-synuclein . . 10 . . mg . . . . 18232 3 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 18232 3 3 DSS 'natural abundance' . . . . . . 0.1-0.5 . . mg . . . . 18232 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18232 _Sample.ID 4 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'mouse alpha-synuclein' 'mixed 1:1 13C:15N' . . 1 $mouse_alpha-synuclein . . 10 . . mg . . . . 18232 4 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 18232 4 3 DSS 'natural abundance' . . . . . . 0.1-0.5 . . mg . . . . 18232 4 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 18232 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 18232 1 temperature 278 . K 18232 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18232 _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 . . 18232 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18232 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 18232 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18232 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18232 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 18232 1 2 spectrometer_2 Bruker Avance . 800 . . . 18232 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 18232 _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 PDSD 20 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 2 '2D PDSD 150 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 3 '2D DREAM' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 4 '2D NCACX PDSD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 5 '2D NCOCX PDSD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 6 '3D NCACX PDSD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 7 '3D NCOCX PDSD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 8 '2D NCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 9 '2D NHHC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 10 '2D PDSD 500 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 11 '2D PDSD 700 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 12 '2D NCA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 13 '2D NCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 14 '2D NHHC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 15 '2D PDSD 400 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 16 '2D NCA' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 17 '2D NCO' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 18 '2D NHHC' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18232 1 19 '2D DQ-SQ SPC5' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 20 '2D NCACX DARR' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 21 '2D NCOCX DARR' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18232 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18232 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18232 _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 internal indirect 0.251449530 . . . . . . . . . 18232 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 18232 1 stop_ save_ save_chemical_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_2 _Chem_shift_reference.Entry_ID 18232 _Chem_shift_reference.ID 2 _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 Adamantane 'methylene carbons' . . . . ppm 31.47 external direct 1.0 . . . . . . . . . 18232 2 N 15 Adamantane 'methylene carbons' . . . . ppm 31.47 external indirect 0.402979946 . . . . . . . . . 18232 2 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 18232 _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 PDSD 20 ms' . . . 18232 1 2 '2D PDSD 150 ms' . . . 18232 1 3 '2D DREAM' . . . 18232 1 4 '2D NCACX PDSD' . . . 18232 1 5 '2D NCOCX PDSD' . . . 18232 1 6 '3D NCACX PDSD' . . . 18232 1 7 '3D NCOCX PDSD' . . . 18232 1 8 '2D NCA' . . . 18232 1 9 '2D NHHC' . . . 18232 1 10 '2D PDSD 500 ms' . . . 18232 1 11 '2D PDSD 700 ms' . . . 18232 1 12 '2D NCA' . . . 18232 1 13 '2D NCO' . . . 18232 1 14 '2D NHHC' . . . 18232 1 15 '2D PDSD 400 ms' . . . 18232 1 16 '2D NCA' . . . 18232 1 17 '2D NCO' . . . 18232 1 18 '2D NHHC' . . . 18232 1 19 '2D DQ-SQ SPC5' . . . 18232 1 20 '2D NCACX DARR' . . . 18232 1 21 '2D NCOCX DARR' . . . 18232 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 41 41 GLY C C 13 174.7 0.1 . 1 . . . . 41 GLY C . 18232 1 2 . 1 1 41 41 GLY CA C 13 47.9 0.1 . 1 . . . . 41 GLY CA . 18232 1 3 . 1 1 41 41 GLY N N 15 119 0.1 . 1 . . . . 41 GLY N . 18232 1 4 . 1 1 42 42 SER C C 13 171.5 0.1 . 1 . . . . 42 SER C . 18232 1 5 . 1 1 42 42 SER CA C 13 58.7 0.1 . 1 . . . . 42 SER CA . 18232 1 6 . 1 1 42 42 SER CB C 13 67.6 0.1 . 1 . . . . 42 SER CB . 18232 1 7 . 1 1 42 42 SER N N 15 112.2 0.1 . 1 . . . . 42 SER N . 18232 1 8 . 1 1 43 43 LYS C C 13 175.7 0.1 . 1 . . . . 43 LYS C . 18232 1 9 . 1 1 43 43 LYS CA C 13 54.6 0.1 . 1 . . . . 43 LYS CA . 18232 1 10 . 1 1 43 43 LYS CB C 13 35.8 0.1 . 1 . . . . 43 LYS CB . 18232 1 11 . 1 1 43 43 LYS CG C 13 25.6 0.1 . 1 . . . . 43 LYS CG . 18232 1 12 . 1 1 43 43 LYS CD C 13 30.2 0.1 . 1 . . . . 43 LYS CD . 18232 1 13 . 1 1 43 43 LYS CE C 13 42.1 0.1 . 1 . . . . 43 LYS CE . 18232 1 14 . 1 1 43 43 LYS N N 15 122.3 0.1 . 1 . . . . 43 LYS N . 18232 1 15 . 1 1 44 44 THR C C 13 175.2 0.1 . 1 . . . . 44 THR C . 18232 1 16 . 1 1 44 44 THR CA C 13 59.5 0.1 . 1 . . . . 44 THR CA . 18232 1 17 . 1 1 44 44 THR CB C 13 71.4 0.1 . 1 . . . . 44 THR CB . 18232 1 18 . 1 1 44 44 THR CG2 C 13 22.4 0.1 . 1 . . . . 44 THR CG2 . 18232 1 19 . 1 1 44 44 THR N N 15 113.4 0.1 . 1 . . . . 44 THR N . 18232 1 20 . 1 1 45 45 LYS C C 13 173.5 0.1 . 1 . . . . 45 LYS C . 18232 1 21 . 1 1 45 45 LYS CA C 13 56.2 0.1 . 1 . . . . 45 LYS CA . 18232 1 22 . 1 1 45 45 LYS CB C 13 36.8 0.1 . 1 . . . . 45 LYS CB . 18232 1 23 . 1 1 45 45 LYS CG C 13 26.8 0.1 . 1 . . . . 45 LYS CG . 18232 1 24 . 1 1 45 45 LYS CE C 13 42.2 0.1 . 1 . . . . 45 LYS CE . 18232 1 25 . 1 1 45 45 LYS N N 15 123.3 0.1 . 1 . . . . 45 LYS N . 18232 1 26 . 1 1 46 46 GLU C C 13 174.6 0.1 . 1 . . . . 46 GLU C . 18232 1 27 . 1 1 46 46 GLU CA C 13 53.9 0.1 . 1 . . . . 46 GLU CA . 18232 1 28 . 1 1 46 46 GLU CB C 13 32.9 0.1 . 1 . . . . 46 GLU CB . 18232 1 29 . 1 1 46 46 GLU CG C 13 35.6 0.1 . 1 . . . . 46 GLU CG . 18232 1 30 . 1 1 46 46 GLU CD C 13 183.1 0.1 . 1 . . . . 46 GLU CD . 18232 1 31 . 1 1 46 46 GLU N N 15 126.5 0.1 . 1 . . . . 46 GLU N . 18232 1 32 . 1 1 47 47 GLY C C 13 172.6 0.1 . 1 . . . . 47 GLY C . 18232 1 33 . 1 1 47 47 GLY CA C 13 48.4 0.1 . 1 . . . . 47 GLY CA . 18232 1 34 . 1 1 47 47 GLY N N 15 115.1 0.1 . 1 . . . . 47 GLY N . 18232 1 35 . 1 1 48 48 VAL C C 13 174.1 0.1 . 1 . . . . 48 VAL C . 18232 1 36 . 1 1 48 48 VAL CA C 13 59.8 0.1 . 1 . . . . 48 VAL CA . 18232 1 37 . 1 1 48 48 VAL CB C 13 37.7 0.1 . 1 . . . . 48 VAL CB . 18232 1 38 . 1 1 48 48 VAL CG1 C 13 21.2 0.1 . 2 . . . . 48 VAL CG1 . 18232 1 39 . 1 1 48 48 VAL CG2 C 13 24.2 0.1 . 2 . . . . 48 VAL CG2 . 18232 1 40 . 1 1 48 48 VAL N N 15 119.2 0.1 . 1 . . . . 48 VAL N . 18232 1 41 . 1 1 49 49 VAL C C 13 174.6 0.1 . 1 . . . . 49 VAL C . 18232 1 42 . 1 1 49 49 VAL CA C 13 60.8 0.1 . 1 . . . . 49 VAL CA . 18232 1 43 . 1 1 49 49 VAL CB C 13 34.6 0.1 . 1 . . . . 49 VAL CB . 18232 1 44 . 1 1 49 49 VAL CG2 C 13 23.1 0.1 . 2 . . . . 49 VAL CG2 . 18232 1 45 . 1 1 49 49 VAL N N 15 126.3 0.1 . 1 . . . . 49 VAL N . 18232 1 46 . 1 1 51 51 GLY C C 13 174.9 0.1 . 1 . . . . 51 GLY C . 18232 1 47 . 1 1 51 51 GLY CA C 13 48.6 0.1 . 1 . . . . 51 GLY CA . 18232 1 48 . 1 1 52 52 VAL C C 13 175.3 0.1 . 1 . . . . 52 VAL C . 18232 1 49 . 1 1 52 52 VAL CA C 13 61.1 0.1 . 1 . . . . 52 VAL CA . 18232 1 50 . 1 1 52 52 VAL CB C 13 33.5 0.1 . 1 . . . . 52 VAL CB . 18232 1 51 . 1 1 52 52 VAL CG2 C 13 20.7 0.1 . 2 . . . . 52 VAL CG2 . 18232 1 52 . 1 1 52 52 VAL N N 15 124.7 0.1 . 1 . . . . 52 VAL N . 18232 1 53 . 1 1 53 53 THR C C 13 173.1 0.1 . 1 . . . . 53 THR C . 18232 1 54 . 1 1 53 53 THR CA C 13 61.6 0.1 . 1 . . . . 53 THR CA . 18232 1 55 . 1 1 53 53 THR CB C 13 70.4 0.1 . 1 . . . . 53 THR CB . 18232 1 56 . 1 1 53 53 THR CG2 C 13 21.2 0.1 . 1 . . . . 53 THR CG2 . 18232 1 57 . 1 1 53 53 THR N N 15 127.8 0.1 . 1 . . . . 53 THR N . 18232 1 58 . 1 1 54 54 THR C C 13 172.7 0.1 . 1 . . . . 54 THR C . 18232 1 59 . 1 1 54 54 THR CA C 13 61.9 0.1 . 1 . . . . 54 THR CA . 18232 1 60 . 1 1 54 54 THR CB C 13 70.4 0.1 . 1 . . . . 54 THR CB . 18232 1 61 . 1 1 54 54 THR CG2 C 13 21.2 0.1 . 1 . . . . 54 THR CG2 . 18232 1 62 . 1 1 54 54 THR N N 15 127.9 0.1 . 1 . . . . 54 THR N . 18232 1 63 . 1 1 55 55 VAL C C 13 174.2 0.1 . 1 . . . . 55 VAL C . 18232 1 64 . 1 1 55 55 VAL CA C 13 61 0.1 . 1 . . . . 55 VAL CA . 18232 1 65 . 1 1 55 55 VAL CB C 13 35.7 0.1 . 1 . . . . 55 VAL CB . 18232 1 66 . 1 1 55 55 VAL CG2 C 13 21.2 0.1 . 2 . . . . 55 VAL CG2 . 18232 1 67 . 1 1 55 55 VAL N N 15 127.5 0.1 . 1 . . . . 55 VAL N . 18232 1 68 . 1 1 56 56 ALA C C 13 175.3 0.1 . 1 . . . . 56 ALA C . 18232 1 69 . 1 1 56 56 ALA CA C 13 50.5 0.1 . 1 . . . . 56 ALA CA . 18232 1 70 . 1 1 56 56 ALA CB C 13 22.3 0.1 . 1 . . . . 56 ALA CB . 18232 1 71 . 1 1 56 56 ALA N N 15 131.6 0.1 . 1 . . . . 56 ALA N . 18232 1 72 . 1 1 57 57 GLU C C 13 175.9 0.1 . 1 . . . . 57 GLU C . 18232 1 73 . 1 1 57 57 GLU CA C 13 53.7 0.1 . 1 . . . . 57 GLU CA . 18232 1 74 . 1 1 57 57 GLU CB C 13 33.6 0.1 . 1 . . . . 57 GLU CB . 18232 1 75 . 1 1 57 57 GLU CG C 13 35.7 0.1 . 1 . . . . 57 GLU CG . 18232 1 76 . 1 1 57 57 GLU CD C 13 183.3 0.1 . 1 . . . . 57 GLU CD . 18232 1 77 . 1 1 57 57 GLU N N 15 122.5 0.1 . 1 . . . . 57 GLU N . 18232 1 78 . 1 1 58 58 LYS C C 13 175 0.1 . 1 . . . . 58 LYS C . 18232 1 79 . 1 1 58 58 LYS CA C 13 57.9 0.1 . 1 . . . . 58 LYS CA . 18232 1 80 . 1 1 58 58 LYS CB C 13 30.1 0.1 . 1 . . . . 58 LYS CB . 18232 1 81 . 1 1 58 58 LYS CG C 13 27.6 0.1 . 1 . . . . 58 LYS CG . 18232 1 82 . 1 1 58 58 LYS CD C 13 31.9 0.1 . 1 . . . . 58 LYS CD . 18232 1 83 . 1 1 58 58 LYS CE C 13 42.5 0.1 . 1 . . . . 58 LYS CE . 18232 1 84 . 1 1 58 58 LYS N N 15 118.1 0.1 . 1 . . . . 58 LYS N . 18232 1 85 . 1 1 58 58 LYS NZ N 15 34.1 0.1 . 1 . . . . 58 LYS Nz . 18232 1 86 . 1 1 59 59 THR C C 13 175 0.1 . 1 . . . . 59 THR C . 18232 1 87 . 1 1 59 59 THR CA C 13 61.1 0.1 . 1 . . . . 59 THR CA . 18232 1 88 . 1 1 59 59 THR CB C 13 69.8 0.1 . 1 . . . . 59 THR CB . 18232 1 89 . 1 1 59 59 THR CG2 C 13 24.2 0.1 . 1 . . . . 59 THR CG2 . 18232 1 90 . 1 1 59 59 THR N N 15 106.5 0.1 . 1 . . . . 59 THR N . 18232 1 91 . 1 1 60 60 LYS C C 13 175.3 0.1 . 1 . . . . 60 LYS C . 18232 1 92 . 1 1 60 60 LYS CA C 13 56.1 0.1 . 1 . . . . 60 LYS CA . 18232 1 93 . 1 1 60 60 LYS CB C 13 36.3 0.1 . 1 . . . . 60 LYS CB . 18232 1 94 . 1 1 60 60 LYS CG C 13 26.1 0.1 . 1 . . . . 60 LYS CG . 18232 1 95 . 1 1 60 60 LYS CD C 13 30.1 0.1 . 1 . . . . 60 LYS CD . 18232 1 96 . 1 1 60 60 LYS CE C 13 42.3 0.1 . 1 . . . . 60 LYS CE . 18232 1 97 . 1 1 60 60 LYS N N 15 122.1 0.1 . 1 . . . . 60 LYS N . 18232 1 98 . 1 1 60 60 LYS NZ N 15 29.9 0.1 . 1 . . . . 60 LYS Nz . 18232 1 99 . 1 1 61 61 GLU C C 13 174.3 0.1 . 1 . . . . 61 GLU C . 18232 1 100 . 1 1 61 61 GLU CA C 13 55 0.1 . 1 . . . . 61 GLU CA . 18232 1 101 . 1 1 61 61 GLU CB C 13 33.7 0.1 . 1 . . . . 61 GLU CB . 18232 1 102 . 1 1 61 61 GLU N N 15 128.4 0.1 . 1 . . . . 61 GLU N . 18232 1 103 . 1 1 62 62 GLN C C 13 174 0.1 . 1 . . . . 62 GLN C . 18232 1 104 . 1 1 62 62 GLN CA C 13 54.7 0.1 . 1 . . . . 62 GLN CA . 18232 1 105 . 1 1 62 62 GLN CB C 13 32.5 0.1 . 1 . . . . 62 GLN CB . 18232 1 106 . 1 1 62 62 GLN CG C 13 34.2 0.1 . 1 . . . . 62 GLN CG . 18232 1 107 . 1 1 62 62 GLN CD C 13 179.9 0.1 . 1 . . . . 62 GLN CD . 18232 1 108 . 1 1 62 62 GLN N N 15 130 0.1 . 1 . . . . 62 GLN N . 18232 1 109 . 1 1 62 62 GLN NE2 N 15 111.9 0.1 . 1 . . . . 62 GLN NE2 . 18232 1 110 . 1 1 63 63 VAL C C 13 175 0.1 . 1 . . . . 63 VAL C . 18232 1 111 . 1 1 63 63 VAL CA C 13 61 0.1 . 1 . . . . 63 VAL CA . 18232 1 112 . 1 1 63 63 VAL CB C 13 36.3 0.1 . 1 . . . . 63 VAL CB . 18232 1 113 . 1 1 63 63 VAL CG1 C 13 22.2 0.1 . 2 . . . . 63 VAL CG1 . 18232 1 114 . 1 1 63 63 VAL CG2 C 13 21 0.1 . 2 . . . . 63 VAL CG2 . 18232 1 115 . 1 1 63 63 VAL N N 15 124.9 0.1 . 1 . . . . 63 VAL N . 18232 1 116 . 1 1 64 64 THR C C 13 172.7 0.1 . 1 . . . . 64 THR C . 18232 1 117 . 1 1 64 64 THR CA C 13 62.4 0.1 . 1 . . . . 64 THR CA . 18232 1 118 . 1 1 64 64 THR CB C 13 69.8 0.1 . 1 . . . . 64 THR CB . 18232 1 119 . 1 1 64 64 THR CG2 C 13 21.5 0.1 . 1 . . . . 64 THR CG2 . 18232 1 120 . 1 1 64 64 THR N N 15 126.9 0.1 . 1 . . . . 64 THR N . 18232 1 121 . 1 1 65 65 ASN C C 13 172.7 0.1 . 1 . . . . 65 ASN C . 18232 1 122 . 1 1 65 65 ASN CA C 13 51.7 0.1 . 1 . . . . 65 ASN CA . 18232 1 123 . 1 1 65 65 ASN CB C 13 43.2 0.1 . 1 . . . . 65 ASN CB . 18232 1 124 . 1 1 65 65 ASN CG C 13 175 0.1 . 1 . . . . 65 ASN CG . 18232 1 125 . 1 1 65 65 ASN N N 15 125.1 0.1 . 1 . . . . 65 ASN N . 18232 1 126 . 1 1 65 65 ASN ND2 N 15 115.2 0.1 . 1 . . . . 65 ASN ND2 . 18232 1 127 . 1 1 66 66 VAL C C 13 178.5 0.1 . 1 . . . . 66 VAL C . 18232 1 128 . 1 1 66 66 VAL CA C 13 60.7 0.1 . 1 . . . . 66 VAL CA . 18232 1 129 . 1 1 66 66 VAL CB C 13 33.7 0.1 . 1 . . . . 66 VAL CB . 18232 1 130 . 1 1 66 66 VAL CG1 C 13 21.1 0.1 . 2 . . . . 66 VAL CG1 . 18232 1 131 . 1 1 66 66 VAL CG2 C 13 19.9 0.1 . 2 . . . . 66 VAL CG2 . 18232 1 132 . 1 1 66 66 VAL N N 15 127.2 0.1 . 1 . . . . 66 VAL N . 18232 1 133 . 1 1 67 67 GLY C C 13 172.8 0.1 . 1 . . . . 67 GLY C . 18232 1 134 . 1 1 67 67 GLY CA C 13 46.7 0.1 . 1 . . . . 67 GLY CA . 18232 1 135 . 1 1 67 67 GLY N N 15 111.2 0.1 . 1 . . . . 67 GLY N . 18232 1 136 . 1 1 68 68 GLY C C 13 172.2 0.1 . 1 . . . . 68 GLY C . 18232 1 137 . 1 1 68 68 GLY CA C 13 43.3 0.1 . 1 . . . . 68 GLY CA . 18232 1 138 . 1 1 68 68 GLY N N 15 103.4 0.1 . 1 . . . . 68 GLY N . 18232 1 139 . 1 1 69 69 ALA C C 13 175.3 0.1 . 1 . . . . 69 ALA C . 18232 1 140 . 1 1 69 69 ALA CA C 13 50.4 0.1 . 1 . . . . 69 ALA CA . 18232 1 141 . 1 1 69 69 ALA CB C 13 23.4 0.1 . 1 . . . . 69 ALA CB . 18232 1 142 . 1 1 69 69 ALA N N 15 126.9 0.1 . 1 . . . . 69 ALA N . 18232 1 143 . 1 1 70 70 VAL C C 13 174.4 0.1 . 1 . . . . 70 VAL C . 18232 1 144 . 1 1 70 70 VAL CA C 13 60.3 0.1 . 1 . . . . 70 VAL CA . 18232 1 145 . 1 1 70 70 VAL CB C 13 36.1 0.1 . 1 . . . . 70 VAL CB . 18232 1 146 . 1 1 70 70 VAL CG2 C 13 21.9 0.1 . 2 . . . . 70 VAL CG2 . 18232 1 147 . 1 1 70 70 VAL N N 15 120.8 0.1 . 1 . . . . 70 VAL N . 18232 1 148 . 1 1 71 71 VAL C C 13 176.5 0.1 . 1 . . . . 71 VAL C . 18232 1 149 . 1 1 71 71 VAL CA C 13 60.8 0.1 . 1 . . . . 71 VAL CA . 18232 1 150 . 1 1 71 71 VAL CB C 13 35.3 0.1 . 1 . . . . 71 VAL CB . 18232 1 151 . 1 1 71 71 VAL CG1 C 13 20.7 0.1 . 2 . . . . 71 VAL CG1 . 18232 1 152 . 1 1 71 71 VAL CG2 C 13 21.7 0.1 . 2 . . . . 71 VAL CG2 . 18232 1 153 . 1 1 71 71 VAL N N 15 127.3 0.1 . 1 . . . . 71 VAL N . 18232 1 154 . 1 1 72 72 THR C C 13 175.9 0.1 . 1 . . . . 72 THR C . 18232 1 155 . 1 1 72 72 THR CA C 13 60.3 0.1 . 1 . . . . 72 THR CA . 18232 1 156 . 1 1 72 72 THR CB C 13 69.4 0.1 . 1 . . . . 72 THR CB . 18232 1 157 . 1 1 72 72 THR CG2 C 13 21.7 0.1 . 1 . . . . 72 THR CG2 . 18232 1 158 . 1 1 72 72 THR N N 15 114.7 0.1 . 1 . . . . 72 THR N . 18232 1 159 . 1 1 73 73 GLY C C 13 173.7 0.1 . 1 . . . . 73 GLY C . 18232 1 160 . 1 1 73 73 GLY CA C 13 44.3 0.1 . 1 . . . . 73 GLY CA . 18232 1 161 . 1 1 73 73 GLY N N 15 110.6 0.1 . 1 . . . . 73 GLY N . 18232 1 162 . 1 1 74 74 VAL C C 13 175.3 0.1 . 1 . . . . 74 VAL C . 18232 1 163 . 1 1 74 74 VAL CA C 13 61.5 0.1 . 1 . . . . 74 VAL CA . 18232 1 164 . 1 1 74 74 VAL CB C 13 35 0.1 . 1 . . . . 74 VAL CB . 18232 1 165 . 1 1 74 74 VAL CG1 C 13 19.2 0.1 . 2 . . . . 74 VAL CG1 . 18232 1 166 . 1 1 74 74 VAL CG2 C 13 21.3 0.1 . 2 . . . . 74 VAL CG2 . 18232 1 167 . 1 1 74 74 VAL N N 15 124.9 0.1 . 1 . . . . 74 VAL N . 18232 1 168 . 1 1 75 75 THR C C 13 172 0.1 . 1 . . . . 75 THR C . 18232 1 169 . 1 1 75 75 THR CA C 13 61.7 0.1 . 1 . . . . 75 THR CA . 18232 1 170 . 1 1 75 75 THR CB C 13 70.1 0.1 . 1 . . . . 75 THR CB . 18232 1 171 . 1 1 75 75 THR CG2 C 13 21.1 0.1 . 1 . . . . 75 THR CG2 . 18232 1 172 . 1 1 75 75 THR N N 15 127.9 0.1 . 1 . . . . 75 THR N . 18232 1 173 . 1 1 76 76 ALA C C 13 174.1 0.1 . 1 . . . . 76 ALA C . 18232 1 174 . 1 1 76 76 ALA CA C 13 49.6 0.1 . 1 . . . . 76 ALA CA . 18232 1 175 . 1 1 76 76 ALA CB C 13 21.2 0.1 . 1 . . . . 76 ALA CB . 18232 1 176 . 1 1 76 76 ALA N N 15 130.5 0.1 . 1 . . . . 76 ALA N . 18232 1 177 . 1 1 77 77 VAL C C 13 172.7 0.1 . 1 . . . . 77 VAL C . 18232 1 178 . 1 1 77 77 VAL CA C 13 60.6 0.1 . 1 . . . . 77 VAL CA . 18232 1 179 . 1 1 77 77 VAL CB C 13 35.8 0.1 . 1 . . . . 77 VAL CB . 18232 1 180 . 1 1 77 77 VAL CG1 C 13 21.5 0.1 . 2 . . . . 77 VAL CG1 . 18232 1 181 . 1 1 77 77 VAL CG2 C 13 20.3 0.1 . 2 . . . . 77 VAL CG2 . 18232 1 182 . 1 1 77 77 VAL N N 15 124.1 0.1 . 1 . . . . 77 VAL N . 18232 1 183 . 1 1 78 78 ALA C C 13 176.2 0.1 . 1 . . . . 78 ALA C . 18232 1 184 . 1 1 78 78 ALA CA C 13 49.8 0.1 . 1 . . . . 78 ALA CA . 18232 1 185 . 1 1 78 78 ALA CB C 13 24.7 0.1 . 1 . . . . 78 ALA CB . 18232 1 186 . 1 1 78 78 ALA N N 15 130.5 0.1 . 1 . . . . 78 ALA N . 18232 1 187 . 1 1 79 79 GLN C C 13 176.4 0.1 . 1 . . . . 79 GLN C . 18232 1 188 . 1 1 79 79 GLN CA C 13 52.4 0.1 . 1 . . . . 79 GLN CA . 18232 1 189 . 1 1 79 79 GLN CB C 13 32.6 0.1 . 1 . . . . 79 GLN CB . 18232 1 190 . 1 1 79 79 GLN CG C 13 32.9 0.1 . 1 . . . . 79 GLN CG . 18232 1 191 . 1 1 79 79 GLN CD C 13 177.7 0.1 . 1 . . . . 79 GLN CD . 18232 1 192 . 1 1 79 79 GLN N N 15 120.6 0.1 . 1 . . . . 79 GLN N . 18232 1 193 . 1 1 79 79 GLN NE2 N 15 111.2 0.1 . 1 . . . . 79 GLN NE2 . 18232 1 194 . 1 1 80 80 LYS C C 13 176.2 0.1 . 1 . . . . 80 LYS C . 18232 1 195 . 1 1 80 80 LYS CA C 13 60.5 0.1 . 1 . . . . 80 LYS CA . 18232 1 196 . 1 1 80 80 LYS CB C 13 31.4 0.1 . 1 . . . . 80 LYS CB . 18232 1 197 . 1 1 80 80 LYS CG C 13 27.3 0.1 . 1 . . . . 80 LYS CG . 18232 1 198 . 1 1 80 80 LYS CD C 13 29.2 0.1 . 1 . . . . 80 LYS CD . 18232 1 199 . 1 1 80 80 LYS CE C 13 42.1 0.1 . 1 . . . . 80 LYS CE . 18232 1 200 . 1 1 80 80 LYS N N 15 123.8 0.1 . 1 . . . . 80 LYS N . 18232 1 201 . 1 1 80 80 LYS NZ N 15 33.2 0.1 . 1 . . . . 80 LYS NZ . 18232 1 202 . 1 1 81 81 THR C C 13 173.6 0.1 . 1 . . . . 81 THR C . 18232 1 203 . 1 1 81 81 THR CA C 13 61.8 0.1 . 1 . . . . 81 THR CA . 18232 1 204 . 1 1 81 81 THR CB C 13 72 0.1 . 1 . . . . 81 THR CB . 18232 1 205 . 1 1 81 81 THR CG2 C 13 22.7 0.1 . 1 . . . . 81 THR CG2 . 18232 1 206 . 1 1 81 81 THR N N 15 115 0.1 . 1 . . . . 81 THR N . 18232 1 207 . 1 1 82 82 VAL C C 13 174.2 0.1 . 1 . . . . 82 VAL C . 18232 1 208 . 1 1 82 82 VAL CA C 13 61.1 0.1 . 1 . . . . 82 VAL CA . 18232 1 209 . 1 1 82 82 VAL CB C 13 34.4 0.1 . 1 . . . . 82 VAL CB . 18232 1 210 . 1 1 82 82 VAL CG1 C 13 20.1 0.1 . 2 . . . . 82 VAL CG1 . 18232 1 211 . 1 1 82 82 VAL CG2 C 13 20.5 0.1 . 2 . . . . 82 VAL CG2 . 18232 1 212 . 1 1 82 82 VAL N N 15 126.3 0.1 . 1 . . . . 82 VAL N . 18232 1 213 . 1 1 83 83 GLU C C 13 173 0.1 . 1 . . . . 83 GLU C . 18232 1 214 . 1 1 83 83 GLU CA C 13 54.9 0.1 . 1 . . . . 83 GLU CA . 18232 1 215 . 1 1 83 83 GLU CB C 13 29.5 0.1 . 1 . . . . 83 GLU CB . 18232 1 216 . 1 1 83 83 GLU CG C 13 34.9 0.1 . 1 . . . . 83 GLU CG . 18232 1 217 . 1 1 83 83 GLU CD C 13 183.9 0.1 . 1 . . . . 83 GLU CD . 18232 1 218 . 1 1 83 83 GLU N N 15 123.4 0.1 . 1 . . . . 83 GLU N . 18232 1 219 . 1 1 84 84 GLY C C 13 174.1 0.1 . 1 . . . . 84 GLY C . 18232 1 220 . 1 1 84 84 GLY CA C 13 44.8 0.1 . 1 . . . . 84 GLY CA . 18232 1 221 . 1 1 84 84 GLY N N 15 106.7 0.1 . 1 . . . . 84 GLY N . 18232 1 222 . 1 1 85 85 ALA C C 13 177.8 0.1 . 1 . . . . 85 ALA C . 18232 1 223 . 1 1 85 85 ALA CA C 13 50.3 0.1 . 1 . . . . 85 ALA CA . 18232 1 224 . 1 1 85 85 ALA CB C 13 21.9 0.1 . 1 . . . . 85 ALA CB . 18232 1 225 . 1 1 85 85 ALA N N 15 126.6 0.1 . 1 . . . . 85 ALA N . 18232 1 226 . 1 1 86 86 GLY C C 13 174.7 0.1 . 1 . . . . 86 GLY C . 18232 1 227 . 1 1 86 86 GLY CA C 13 47.4 0.1 . 1 . . . . 86 GLY CA . 18232 1 228 . 1 1 86 86 GLY N N 15 110.3 0.1 . 1 . . . . 86 GLY N . 18232 1 229 . 1 1 87 87 ASN C C 13 175.9 0.1 . 1 . . . . 87 ASN C . 18232 1 230 . 1 1 87 87 ASN CA C 13 53.6 0.1 . 1 . . . . 87 ASN CA . 18232 1 231 . 1 1 87 87 ASN CB C 13 39.9 0.1 . 1 . . . . 87 ASN CB . 18232 1 232 . 1 1 87 87 ASN CG C 13 172.9 0.1 . 1 . . . . 87 ASN CG . 18232 1 233 . 1 1 87 87 ASN N N 15 117.8 0.1 . 1 . . . . 87 ASN N . 18232 1 234 . 1 1 87 87 ASN ND2 N 15 116.6 0.1 . 1 . . . . 87 ASN ND2 . 18232 1 235 . 1 1 88 88 ILE C C 13 175.6 0.1 . 1 . . . . 88 ILE C . 18232 1 236 . 1 1 88 88 ILE CA C 13 60.5 0.1 . 1 . . . . 88 ILE CA . 18232 1 237 . 1 1 88 88 ILE CB C 13 39.7 0.1 . 1 . . . . 88 ILE CB . 18232 1 238 . 1 1 88 88 ILE CG1 C 13 27.3 0.1 . 1 . . . . 88 ILE CG1 . 18232 1 239 . 1 1 88 88 ILE CG2 C 13 17.7 0.1 . 1 . . . . 88 ILE CG2 . 18232 1 240 . 1 1 88 88 ILE CD1 C 13 13.4 0.1 . 1 . . . . 88 ILE CD1 . 18232 1 241 . 1 1 88 88 ILE N N 15 122.4 0.1 . 1 . . . . 88 ILE N . 18232 1 242 . 1 1 89 89 ALA C C 13 176.6 0.1 . 1 . . . . 89 ALA C . 18232 1 243 . 1 1 89 89 ALA CA C 13 54.9 0.1 . 1 . . . . 89 ALA CA . 18232 1 244 . 1 1 89 89 ALA CB C 13 19.3 0.1 . 1 . . . . 89 ALA CB . 18232 1 245 . 1 1 89 89 ALA N N 15 129.5 0.1 . 1 . . . . 89 ALA N . 18232 1 246 . 1 1 90 90 ALA C C 13 174.6 0.1 . 1 . . . . 90 ALA C . 18232 1 247 . 1 1 90 90 ALA CA C 13 51.4 0.1 . 1 . . . . 90 ALA CA . 18232 1 248 . 1 1 90 90 ALA CB C 13 21.2 0.1 . 1 . . . . 90 ALA CB . 18232 1 249 . 1 1 90 90 ALA N N 15 123.2 0.1 . 1 . . . . 90 ALA N . 18232 1 250 . 1 1 91 91 ALA C C 13 175.5 0.1 . 1 . . . . 91 ALA C . 18232 1 251 . 1 1 91 91 ALA CA C 13 49.6 0.1 . 1 . . . . 91 ALA CA . 18232 1 252 . 1 1 91 91 ALA CB C 13 21.9 0.1 . 1 . . . . 91 ALA CB . 18232 1 253 . 1 1 91 91 ALA N N 15 127.8 0.1 . 1 . . . . 91 ALA N . 18232 1 254 . 1 1 92 92 THR C C 13 174.6 0.1 . 1 . . . . 92 THR C . 18232 1 255 . 1 1 92 92 THR CA C 13 60.9 0.1 . 1 . . . . 92 THR CA . 18232 1 256 . 1 1 92 92 THR CB C 13 70.2 0.1 . 1 . . . . 92 THR CB . 18232 1 257 . 1 1 92 92 THR CG2 C 13 21.8 0.1 . 1 . . . . 92 THR CG2 . 18232 1 258 . 1 1 92 92 THR N N 15 125.2 0.1 . 1 . . . . 92 THR N . 18232 1 259 . 1 1 93 93 GLY C C 13 170.4 0.1 . 1 . . . . 93 GLY C . 18232 1 260 . 1 1 93 93 GLY CA C 13 47.7 0.1 . 1 . . . . 93 GLY CA . 18232 1 261 . 1 1 93 93 GLY N N 15 115.3 0.1 . 1 . . . . 93 GLY N . 18232 1 262 . 1 1 94 94 PHE CA C 13 55.9 0.1 . 1 . . . . 94 PHE CA . 18232 1 263 . 1 1 94 94 PHE CB C 13 45.1 0.1 . 1 . . . . 94 PHE CB . 18232 1 264 . 1 1 94 94 PHE CG C 13 136.4 0.1 . 1 . . . . 94 PHE CG . 18232 1 265 . 1 1 94 94 PHE CD1 C 13 132.1 0.1 . 3 . . . . 94 PHE CD . 18232 1 266 . 1 1 94 94 PHE CD2 C 13 132.1 0.1 . 3 . . . . 94 PHE CD . 18232 1 267 . 1 1 94 94 PHE CE1 C 13 130.9 0.1 . 3 . . . . 94 PHE CE . 18232 1 268 . 1 1 94 94 PHE CE2 C 13 130.9 0.1 . 3 . . . . 94 PHE CE . 18232 1 269 . 1 1 94 94 PHE N N 15 125.9 0.1 . 1 . . . . 94 PHE N . 18232 1 270 . 1 1 95 95 VAL CA C 13 60.5 0.1 . 1 . . . . 95 VAL CA . 18232 1 271 . 1 1 95 95 VAL CB C 13 35.9 0.1 . 1 . . . . 95 VAL CB . 18232 1 272 . 1 1 95 95 VAL CG2 C 13 22.4 0.1 . 2 . . . . 95 VAL CG2 . 18232 1 273 . 1 1 95 95 VAL N N 15 128.5 0.1 . 1 . . . . 95 VAL N . 18232 1 stop_ save_