data_27887 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27887 _Entry.Title ; Backbone (1H and 15N) Chemical Shift Assignments and Relaxation Parameters for the low complexity domain of FUS in the condensed phase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-01 _Entry.Accession_date 2019-05-01 _Entry.Last_release_date 2019-05-02 _Entry.Original_release_date 2019-05-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Anastasia Murthy . C. . . 27887 2 Kathleen Burke . A. . . 27887 3 Nicolas Fawzi . L. . . 27887 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brown University' . 27887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27887 heteronucl_NOEs 1 27887 heteronucl_T1_relaxation 1 27887 heteronucl_T2_relaxation 1 27887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 145 27887 'T1 relaxation values' 35 27887 'T2 relaxation values' 43 27887 'heteronuclear NOE values' 35 27887 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 . . 2019-12-23 2019-05-01 update BMRB 'update entry citation' 27887 1 . . 2019-06-11 2019-05-01 original author 'original release' 27887 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26672 'Assignments for the low complexity prion-like domain of Fused in Sarcoma (FUS 1-163)' 27887 BMRB 27125 'FUS low complexity domain with 12 phosphomimetic S/T to E mutations' 27887 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27887 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31270472 _Citation.Full_citation . _Citation.Title ; Molecular interactions underlying liquid-liquid phase separation of the FUS low complexity domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 26 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 637 _Citation.Page_last 648 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anastasia Murthy . . . . 27887 1 2 Gregory Dignon . . . . 27887 1 3 Yelena Kan . . . . 27887 1 4 Gul Zerze . . . . 27887 1 5 Sapun Parekh . . . . 27887 1 6 Jeetain Mittal . . . . 27887 1 7 Nicolas Fawzi . . . . 27887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27887 _Assembly.ID 1 _Assembly.Name 'Condensed FUS LC' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The liquid-liquid phase separated state of FUS 1-163 containing 477 mg/mL protein and 65% water content by volume.' _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 'FUS 1-163' 1 $FUS_1-163 A . yes 'intrinsically disordered' no no . . . 27887 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FUS_1-163 _Entity.Sf_category entity _Entity.Sf_framecode FUS_1-163 _Entity.Entry_ID 27887 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FUS_1-163 _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 ; MASNDYTQQATQSYGAYPTQ PGQGYSQQSSQPYGQQSYSG YSQSTDTSGYGQSSYSSYGQ SQNTGYGTQSTPQGYGSTGG YGSSQSSQSSYGQQSSYPGY GQQPAPSSTSGSYGSSSQSS SYGQPQSGSYSQQPSYGGQQ QSYGQQQSYNPPQGYGQQNQ YNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The protein sequence starts from alanine 2 due to cleavage of the n-terminal methionine.' _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 163 _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27887 1 2 2 ALA . 27887 1 3 3 SER . 27887 1 4 4 ASN . 27887 1 5 5 ASP . 27887 1 6 6 TYR . 27887 1 7 7 THR . 27887 1 8 8 GLN . 27887 1 9 9 GLN . 27887 1 10 10 ALA . 27887 1 11 11 THR . 27887 1 12 12 GLN . 27887 1 13 13 SER . 27887 1 14 14 TYR . 27887 1 15 15 GLY . 27887 1 16 16 ALA . 27887 1 17 17 TYR . 27887 1 18 18 PRO . 27887 1 19 19 THR . 27887 1 20 20 GLN . 27887 1 21 21 PRO . 27887 1 22 22 GLY . 27887 1 23 23 GLN . 27887 1 24 24 GLY . 27887 1 25 25 TYR . 27887 1 26 26 SER . 27887 1 27 27 GLN . 27887 1 28 28 GLN . 27887 1 29 29 SER . 27887 1 30 30 SER . 27887 1 31 31 GLN . 27887 1 32 32 PRO . 27887 1 33 33 TYR . 27887 1 34 34 GLY . 27887 1 35 35 GLN . 27887 1 36 36 GLN . 27887 1 37 37 SER . 27887 1 38 38 TYR . 27887 1 39 39 SER . 27887 1 40 40 GLY . 27887 1 41 41 TYR . 27887 1 42 42 SER . 27887 1 43 43 GLN . 27887 1 44 44 SER . 27887 1 45 45 THR . 27887 1 46 46 ASP . 27887 1 47 47 THR . 27887 1 48 48 SER . 27887 1 49 49 GLY . 27887 1 50 50 TYR . 27887 1 51 51 GLY . 27887 1 52 52 GLN . 27887 1 53 53 SER . 27887 1 54 54 SER . 27887 1 55 55 TYR . 27887 1 56 56 SER . 27887 1 57 57 SER . 27887 1 58 58 TYR . 27887 1 59 59 GLY . 27887 1 60 60 GLN . 27887 1 61 61 SER . 27887 1 62 62 GLN . 27887 1 63 63 ASN . 27887 1 64 64 THR . 27887 1 65 65 GLY . 27887 1 66 66 TYR . 27887 1 67 67 GLY . 27887 1 68 68 THR . 27887 1 69 69 GLN . 27887 1 70 70 SER . 27887 1 71 71 THR . 27887 1 72 72 PRO . 27887 1 73 73 GLN . 27887 1 74 74 GLY . 27887 1 75 75 TYR . 27887 1 76 76 GLY . 27887 1 77 77 SER . 27887 1 78 78 THR . 27887 1 79 79 GLY . 27887 1 80 80 GLY . 27887 1 81 81 TYR . 27887 1 82 82 GLY . 27887 1 83 83 SER . 27887 1 84 84 SER . 27887 1 85 85 GLN . 27887 1 86 86 SER . 27887 1 87 87 SER . 27887 1 88 88 GLN . 27887 1 89 89 SER . 27887 1 90 90 SER . 27887 1 91 91 TYR . 27887 1 92 92 GLY . 27887 1 93 93 GLN . 27887 1 94 94 GLN . 27887 1 95 95 SER . 27887 1 96 96 SER . 27887 1 97 97 TYR . 27887 1 98 98 PRO . 27887 1 99 99 GLY . 27887 1 100 100 TYR . 27887 1 101 101 GLY . 27887 1 102 102 GLN . 27887 1 103 103 GLN . 27887 1 104 104 PRO . 27887 1 105 105 ALA . 27887 1 106 106 PRO . 27887 1 107 107 SER . 27887 1 108 108 SER . 27887 1 109 109 THR . 27887 1 110 110 SER . 27887 1 111 111 GLY . 27887 1 112 112 SER . 27887 1 113 113 TYR . 27887 1 114 114 GLY . 27887 1 115 115 SER . 27887 1 116 116 SER . 27887 1 117 117 SER . 27887 1 118 118 GLN . 27887 1 119 119 SER . 27887 1 120 120 SER . 27887 1 121 121 SER . 27887 1 122 122 TYR . 27887 1 123 123 GLY . 27887 1 124 124 GLN . 27887 1 125 125 PRO . 27887 1 126 126 GLN . 27887 1 127 127 SER . 27887 1 128 128 GLY . 27887 1 129 129 SER . 27887 1 130 130 TYR . 27887 1 131 131 SER . 27887 1 132 132 GLN . 27887 1 133 133 GLN . 27887 1 134 134 PRO . 27887 1 135 135 SER . 27887 1 136 136 TYR . 27887 1 137 137 GLY . 27887 1 138 138 GLY . 27887 1 139 139 GLN . 27887 1 140 140 GLN . 27887 1 141 141 GLN . 27887 1 142 142 SER . 27887 1 143 143 TYR . 27887 1 144 144 GLY . 27887 1 145 145 GLN . 27887 1 146 146 GLN . 27887 1 147 147 GLN . 27887 1 148 148 SER . 27887 1 149 149 TYR . 27887 1 150 150 ASN . 27887 1 151 151 PRO . 27887 1 152 152 PRO . 27887 1 153 153 GLN . 27887 1 154 154 GLY . 27887 1 155 155 TYR . 27887 1 156 156 GLY . 27887 1 157 157 GLN . 27887 1 158 158 GLN . 27887 1 159 159 ASN . 27887 1 160 160 GLN . 27887 1 161 161 TYR . 27887 1 162 162 ASN . 27887 1 163 163 SER . 27887 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 27887 1 . ALA 2 2 27887 1 . SER 3 3 27887 1 . ASN 4 4 27887 1 . ASP 5 5 27887 1 . TYR 6 6 27887 1 . THR 7 7 27887 1 . GLN 8 8 27887 1 . GLN 9 9 27887 1 . ALA 10 10 27887 1 . THR 11 11 27887 1 . GLN 12 12 27887 1 . SER 13 13 27887 1 . TYR 14 14 27887 1 . GLY 15 15 27887 1 . ALA 16 16 27887 1 . TYR 17 17 27887 1 . PRO 18 18 27887 1 . THR 19 19 27887 1 . GLN 20 20 27887 1 . PRO 21 21 27887 1 . GLY 22 22 27887 1 . GLN 23 23 27887 1 . GLY 24 24 27887 1 . TYR 25 25 27887 1 . SER 26 26 27887 1 . GLN 27 27 27887 1 . GLN 28 28 27887 1 . SER 29 29 27887 1 . SER 30 30 27887 1 . GLN 31 31 27887 1 . PRO 32 32 27887 1 . TYR 33 33 27887 1 . GLY 34 34 27887 1 . GLN 35 35 27887 1 . GLN 36 36 27887 1 . SER 37 37 27887 1 . TYR 38 38 27887 1 . SER 39 39 27887 1 . GLY 40 40 27887 1 . TYR 41 41 27887 1 . SER 42 42 27887 1 . GLN 43 43 27887 1 . SER 44 44 27887 1 . THR 45 45 27887 1 . ASP 46 46 27887 1 . THR 47 47 27887 1 . SER 48 48 27887 1 . GLY 49 49 27887 1 . TYR 50 50 27887 1 . GLY 51 51 27887 1 . GLN 52 52 27887 1 . SER 53 53 27887 1 . SER 54 54 27887 1 . TYR 55 55 27887 1 . SER 56 56 27887 1 . SER 57 57 27887 1 . TYR 58 58 27887 1 . GLY 59 59 27887 1 . GLN 60 60 27887 1 . SER 61 61 27887 1 . GLN 62 62 27887 1 . ASN 63 63 27887 1 . THR 64 64 27887 1 . GLY 65 65 27887 1 . TYR 66 66 27887 1 . GLY 67 67 27887 1 . THR 68 68 27887 1 . GLN 69 69 27887 1 . SER 70 70 27887 1 . THR 71 71 27887 1 . PRO 72 72 27887 1 . GLN 73 73 27887 1 . GLY 74 74 27887 1 . TYR 75 75 27887 1 . GLY 76 76 27887 1 . SER 77 77 27887 1 . THR 78 78 27887 1 . GLY 79 79 27887 1 . GLY 80 80 27887 1 . TYR 81 81 27887 1 . GLY 82 82 27887 1 . SER 83 83 27887 1 . SER 84 84 27887 1 . GLN 85 85 27887 1 . SER 86 86 27887 1 . SER 87 87 27887 1 . GLN 88 88 27887 1 . SER 89 89 27887 1 . SER 90 90 27887 1 . TYR 91 91 27887 1 . GLY 92 92 27887 1 . GLN 93 93 27887 1 . GLN 94 94 27887 1 . SER 95 95 27887 1 . SER 96 96 27887 1 . TYR 97 97 27887 1 . PRO 98 98 27887 1 . GLY 99 99 27887 1 . TYR 100 100 27887 1 . GLY 101 101 27887 1 . GLN 102 102 27887 1 . GLN 103 103 27887 1 . PRO 104 104 27887 1 . ALA 105 105 27887 1 . PRO 106 106 27887 1 . SER 107 107 27887 1 . SER 108 108 27887 1 . THR 109 109 27887 1 . SER 110 110 27887 1 . GLY 111 111 27887 1 . SER 112 112 27887 1 . TYR 113 113 27887 1 . GLY 114 114 27887 1 . SER 115 115 27887 1 . SER 116 116 27887 1 . SER 117 117 27887 1 . GLN 118 118 27887 1 . SER 119 119 27887 1 . SER 120 120 27887 1 . SER 121 121 27887 1 . TYR 122 122 27887 1 . GLY 123 123 27887 1 . GLN 124 124 27887 1 . PRO 125 125 27887 1 . GLN 126 126 27887 1 . SER 127 127 27887 1 . GLY 128 128 27887 1 . SER 129 129 27887 1 . TYR 130 130 27887 1 . SER 131 131 27887 1 . GLN 132 132 27887 1 . GLN 133 133 27887 1 . PRO 134 134 27887 1 . SER 135 135 27887 1 . TYR 136 136 27887 1 . GLY 137 137 27887 1 . GLY 138 138 27887 1 . GLN 139 139 27887 1 . GLN 140 140 27887 1 . GLN 141 141 27887 1 . SER 142 142 27887 1 . TYR 143 143 27887 1 . GLY 144 144 27887 1 . GLN 145 145 27887 1 . GLN 146 146 27887 1 . GLN 147 147 27887 1 . SER 148 148 27887 1 . TYR 149 149 27887 1 . ASN 150 150 27887 1 . PRO 151 151 27887 1 . PRO 152 152 27887 1 . GLN 153 153 27887 1 . GLY 154 154 27887 1 . TYR 155 155 27887 1 . GLY 156 156 27887 1 . GLN 157 157 27887 1 . GLN 158 158 27887 1 . ASN 159 159 27887 1 . GLN 160 160 27887 1 . TYR 161 161 27887 1 . ASN 162 162 27887 1 . SER 163 163 27887 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 27887 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FUS_1-163 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27887 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 27887 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FUS_1-163 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star' . . . . . Unknown . . 'Addgene: FUS_anion; Plasmid #98656.' 27887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27887 _Sample.ID 1 _Sample.Name . _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 'Condensed FUS 1-163' '[U-99% 15N]' . . 1 $FUS_1-163 . . 27.8 . . mM . . . . 27887 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 27887 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27887 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 27887 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.15 . M 27887 1 pH 5.5 . pH 27887 1 pressure 1 . atm 27887 1 temperature 298 . K 27887 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27887 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27887 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 27887 1 . processing 27887 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 27887 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27887 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'TCI cryoprobe' . . 27887 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 27887 _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 . . . . . . . . . . . . . . . . 27887 1 2 hsqct2etf3gpsitc3d no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27887 1 3 hsqct1etf3gpsitc3d no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27887 1 4 hsqcnoef3gpsi no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27887 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 27887 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27887 1 N 15 na nitrogen . . . . ppm 0 external indirect 1 . . . . . 27887 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 27887 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 'Assignments were transferred from the dispersed phase using a HSQC-NOESY and 2D HSQC.' _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' . . . 27887 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.Ambiguity_set_ID _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 MET N N 15 120.068 . . . . . . . . 1 M N . 27887 1 2 . 1 1 2 2 ALA N N 15 125.869 . . . . . . . . 2 A N . 27887 1 3 . 1 1 3 3 SER N N 15 115.579 . . . . . . . . 3 S N . 27887 1 4 . 1 1 4 4 ASN N N 15 120.093 . . . . . . . . 4 N N . 27887 1 5 . 1 1 5 5 ASP N N 15 120.191 . . . . . . . . 5 D N . 27887 1 6 . 1 1 7 7 THR N N 15 114.982 . . . . . . . . 7 T N . 27887 1 7 . 1 1 8 8 GLN N N 15 122.072 . . . . . . . . 8 Q N . 27887 1 8 . 1 1 9 9 GLN N N 15 121.111 . . . . . . . . 9 Q N . 27887 1 9 . 1 1 10 10 ALA N N 15 124.964 . . . . . . . . 10 A N . 27887 1 10 . 1 1 11 11 THR N N 15 112.949 . . . . . . . . 11 T N . 27887 1 11 . 1 1 12 12 GLN N N 15 122.234 . . . . . . . . 12 Q N . 27887 1 12 . 1 1 13 13 SER N N 15 116.770 . . . . . . . . 13 S N . 27887 1 13 . 1 1 14 14 TYR N N 15 121.983 . . . . . . . . 14 Y N . 27887 1 14 . 1 1 15 15 GLY N N 15 110.212 . . . . . . . . 15 G N . 27887 1 15 . 1 1 16 16 ALA N N 15 123.211 . . . . . . . . 16 A N . 27887 1 16 . 1 1 17 17 TYR N N 15 119.991 . . . . . . . . 17 Y N . 27887 1 17 . 1 1 19 19 THR N N 15 114.121 . . . . . . . . 19 T N . 27887 1 18 . 1 1 20 20 GLN N N 15 123.065 . . . . . . . . 20 Q N . 27887 1 19 . 1 1 22 22 GLY N N 15 109.432 . . . . . . . . 22 G N . 27887 1 20 . 1 1 23 23 GLN N N 15 119.404 . . . . . . . . 23 Q N . 27887 1 21 . 1 1 24 24 GLY N N 15 109.687 . . . . . . . . 24 G N . 27887 1 22 . 1 1 25 25 TYR N N 15 120.023 . . . . . . . . 25 Y N . 27887 1 23 . 1 1 26 26 SER N N 15 117.616 . . . . . . . . 26 S N . 27887 1 24 . 1 1 27 27 GLN N N 15 122.277 . . . . . . . . 27 Q N . 27887 1 25 . 1 1 28 28 GLN N N 15 121.051 . . . . . . . . 28 Q N . 27887 1 26 . 1 1 29 29 SER N N 15 116.663 . . . . . . . . 29 S N . 27887 1 27 . 1 1 30 30 SER N N 15 117.463 . . . . . . . . 30 S N . 27887 1 28 . 1 1 31 31 GLN N N 15 122.299 . . . . . . . . 31 Q N . 27887 1 29 . 1 1 33 33 TYR N N 15 120.020 . . . . . . . . 33 Y N . 27887 1 30 . 1 1 34 34 GLY N N 15 110.386 . . . . . . . . 34 G N . 27887 1 31 . 1 1 35 35 GLN N N 15 119.595 . . . . . . . . 35 Q N . 27887 1 32 . 1 1 36 36 GLN N N 15 121.420 . . . . . . . . 36 Q N . 27887 1 33 . 1 1 37 37 SER N N 15 116.620 . . . . . . . . 37 S N . 27887 1 34 . 1 1 38 38 TYR N N 15 122.035 . . . . . . . . 38 Y N . 27887 1 35 . 1 1 39 39 SER N N 15 117.728 . . . . . . . . 39 S N . 27887 1 36 . 1 1 40 40 GLY N N 15 110.023 . . . . . . . . 40 G N . 27887 1 37 . 1 1 41 41 TYR N N 15 119.989 . . . . . . . . 41 Y N . 27887 1 38 . 1 1 42 42 SER N N 15 117.731 . . . . . . . . 42 S N . 27887 1 39 . 1 1 43 43 GLN N N 15 122.287 . . . . . . . . 43 Q N . 27887 1 40 . 1 1 44 44 SER N N 15 116.764 . . . . . . . . 44 S N . 27887 1 41 . 1 1 45 45 THR N N 15 115.346 . . . . . . . . 45 T N . 27887 1 42 . 1 1 46 46 ASP N N 15 122.737 . . . . . . . . 46 D N . 27887 1 43 . 1 1 47 47 THR N N 15 114.508 . . . . . . . . 47 T N . 27887 1 44 . 1 1 48 48 SER N N 15 118.225 . . . . . . . . 48 S N . 27887 1 45 . 1 1 49 49 GLY N N 15 110.205 . . . . . . . . 49 G N . 27887 1 46 . 1 1 50 50 TYR N N 15 120.146 . . . . . . . . 50 Y N . 27887 1 47 . 1 1 51 51 GLY N N 15 110.641 . . . . . . . . 51 G N . 27887 1 48 . 1 1 52 52 GLN N N 15 119.711 . . . . . . . . 52 Q N . 27887 1 49 . 1 1 53 53 SER N N 15 116.835 . . . . . . . . 53 S N . 27887 1 50 . 1 1 54 54 SER N N 15 117.512 . . . . . . . . 54 S N . 27887 1 51 . 1 1 55 55 TYR N N 15 121.840 . . . . . . . . 55 Y N . 27887 1 52 . 1 1 56 56 SER N N 15 116.897 . . . . . . . . 56 S N . 27887 1 53 . 1 1 57 57 SER N N 15 117.688 . . . . . . . . 57 S N . 27887 1 54 . 1 1 58 58 TYR N N 15 121.822 . . . . . . . . 58 Y N . 27887 1 55 . 1 1 59 59 GLY N N 15 110.362 . . . . . . . . 59 G N . 27887 1 56 . 1 1 60 60 GLN N N 15 119.630 . . . . . . . . 60 Q N . 27887 1 57 . 1 1 61 61 SER N N 15 116.788 . . . . . . . . 61 S N . 27887 1 58 . 1 1 62 62 GLN N N 15 121.443 . . . . . . . . 62 Q N . 27887 1 59 . 1 1 63 63 ASN N N 15 119.684 . . . . . . . . 63 N N . 27887 1 60 . 1 1 64 64 THR N N 15 113.675 . . . . . . . . 64 T N . 27887 1 61 . 1 1 65 65 GLY N N 15 110.423 . . . . . . . . 65 G N . 27887 1 62 . 1 1 67 67 GLY N N 15 110.654 . . . . . . . . 67 G N . 27887 1 63 . 1 1 68 68 THR N N 15 113.400 . . . . . . . . 68 T N . 27887 1 64 . 1 1 69 69 GLN N N 15 122.309 . . . . . . . . 69 Q N . 27887 1 65 . 1 1 70 70 SER N N 15 117.131 . . . . . . . . 70 S N . 27887 1 66 . 1 1 71 71 THR N N 15 117.469 . . . . . . . . 71 T N . 27887 1 67 . 1 1 73 73 GLN N N 15 120.336 . . . . . . . . 73 Q N . 27887 1 68 . 1 1 74 74 GLY N N 15 109.764 . . . . . . . . 74 G N . 27887 1 69 . 1 1 75 75 TYR N N 15 120.199 . . . . . . . . 75 Y N . 27887 1 70 . 1 1 76 76 GLY N N 15 110.758 . . . . . . . . 76 G N . 27887 1 71 . 1 1 77 77 SER N N 15 115.620 . . . . . . . . 77 S N . 27887 1 72 . 1 1 78 78 THR N N 15 114.817 . . . . . . . . 78 T N . 27887 1 73 . 1 1 79 79 GLY N N 15 110.638 . . . . . . . . 79 G N . 27887 1 74 . 1 1 80 80 GLY N N 15 108.341 . . . . . . . . 80 G N . 27887 1 75 . 1 1 81 81 TYR N N 15 120.250 . . . . . . . . 81 Y N . 27887 1 76 . 1 1 82 82 GLY N N 15 110.804 . . . . . . . . 82 G N . 27887 1 77 . 1 1 83 83 SER N N 15 115.534 . . . . . . . . 83 S N . 27887 1 78 . 1 1 84 84 SER N N 15 117.704 . . . . . . . . 84 S N . 27887 1 79 . 1 1 85 85 GLN N N 15 121.893 . . . . . . . . 85 Q N . 27887 1 80 . 1 1 86 86 SER N N 15 116.499 . . . . . . . . 86 S N . 27887 1 81 . 1 1 87 87 SER N N 15 117.659 . . . . . . . . 87 S N . 27887 1 82 . 1 1 88 88 GLN N N 15 121.849 . . . . . . . . 88 Q N . 27887 1 83 . 1 1 89 89 SER N N 15 116.415 . . . . . . . . 89 S N . 27887 1 84 . 1 1 90 90 SER N N 15 117.486 . . . . . . . . 90 S N . 27887 1 85 . 1 1 92 92 GLY N N 15 110.271 . . . . . . . . 92 G N . 27887 1 86 . 1 1 93 93 GLN N N 15 119.679 . . . . . . . . 93 Q N . 27887 1 87 . 1 1 95 95 SER N N 15 116.384 . . . . . . . . 95 S N . 27887 1 88 . 1 1 96 96 SER N N 15 117.210 . . . . . . . . 96 S N . 27887 1 89 . 1 1 97 97 TYR N N 15 122.676 . . . . . . . . 97 Y N . 27887 1 90 . 1 1 99 99 GLY N N 15 108.460 . . . . . . . . 99 G N . 27887 1 91 . 1 1 100 100 TYR N N 15 119.977 . . . . . . . . 100 Y N . 27887 1 92 . 1 1 101 101 GLY N N 15 111.084 . . . . . . . . 101 G N . 27887 1 93 . 1 1 102 102 GLN N N 15 119.546 . . . . . . . . 102 Q N . 27887 1 94 . 1 1 105 105 ALA N N 15 125.395 . . . . . . . . 105 A N . 27887 1 95 . 1 1 107 107 SER N N 15 115.636 . . . . . . . . 107 S N . 27887 1 96 . 1 1 108 108 SER N N 15 117.544 . . . . . . . . 108 S N . 27887 1 97 . 1 1 109 109 THR N N 15 114.837 . . . . . . . . 109 T N . 27887 1 98 . 1 1 110 110 SER N N 15 117.721 . . . . . . . . 110 S N . 27887 1 99 . 1 1 111 111 GLY N N 15 110.738 . . . . . . . . 111 G N . 27887 1 100 . 1 1 112 112 SER N N 15 115.478 . . . . . . . . 112 S N . 27887 1 101 . 1 1 113 113 TYR N N 15 122.238 . . . . . . . . 113 Y N . 27887 1 102 . 1 1 114 114 GLY N N 15 110.512 . . . . . . . . 114 G N . 27887 1 103 . 1 1 115 115 SER N N 15 115.634 . . . . . . . . 115 S N . 27887 1 104 . 1 1 116 116 SER N N 15 117.744 . . . . . . . . 116 S N . 27887 1 105 . 1 1 117 117 SER N N 15 117.684 . . . . . . . . 117 S N . 27887 1 106 . 1 1 118 118 GLN N N 15 121.838 . . . . . . . . 118 Q N . 27887 1 107 . 1 1 119 119 SER N N 15 116.552 . . . . . . . . 119 S N . 27887 1 108 . 1 1 120 120 SER N N 15 117.630 . . . . . . . . 120 S N . 27887 1 109 . 1 1 121 121 SER N N 15 117.480 . . . . . . . . 121 S N . 27887 1 110 . 1 1 122 122 TYR N N 15 121.905 . . . . . . . . 122 Y N . 27887 1 111 . 1 1 123 123 GLY N N 15 110.456 . . . . . . . . 123 G N . 27887 1 112 . 1 1 124 124 GLN N N 15 120.436 . . . . . . . . 124 Q N . 27887 1 113 . 1 1 126 126 GLN N N 15 120.645 . . . . . . . . 126 Q N . 27887 1 114 . 1 1 127 127 SER N N 15 116.821 . . . . . . . . 127 S N . 27887 1 115 . 1 1 128 128 GLY N N 15 110.731 . . . . . . . . 128 G N . 27887 1 116 . 1 1 129 129 SER N N 15 115.415 . . . . . . . . 129 S N . 27887 1 117 . 1 1 131 131 SER N N 15 116.940 . . . . . . . . 131 S N . 27887 1 118 . 1 1 132 132 GLN N N 15 121.920 . . . . . . . . 132 Q N . 27887 1 119 . 1 1 133 133 GLN N N 15 122.461 . . . . . . . . 133 Q N . 27887 1 120 . 1 1 135 135 SER N N 15 115.599 . . . . . . . . 135 S N . 27887 1 121 . 1 1 136 136 TYR N N 15 122.052 . . . . . . . . 136 Y N . 27887 1 122 . 1 1 137 137 GLY N N 15 110.805 . . . . . . . . 137 G N . 27887 1 123 . 1 1 138 138 GLY N N 15 108.266 . . . . . . . . 138 G N . 27887 1 124 . 1 1 139 139 GLN N N 15 119.666 . . . . . . . . 139 Q N . 27887 1 125 . 1 1 140 140 GLN N N 15 121.518 . . . . . . . . 140 Q N . 27887 1 126 . 1 1 141 141 GLN N N 15 121.473 . . . . . . . . 141 Q N . 27887 1 127 . 1 1 142 142 SER N N 15 116.688 . . . . . . . . 142 S N . 27887 1 128 . 1 1 144 144 GLY N N 15 110.263 . . . . . . . . 144 G N . 27887 1 129 . 1 1 145 145 GLN N N 15 119.750 . . . . . . . . 145 Q N . 27887 1 130 . 1 1 146 146 GLN N N 15 121.457 . . . . . . . . 146 Q N . 27887 1 131 . 1 1 147 147 GLN N N 15 121.436 . . . . . . . . 147 Q N . 27887 1 132 . 1 1 148 148 SER N N 15 116.752 . . . . . . . . 148 S N . 27887 1 133 . 1 1 149 149 TYR N N 15 122.372 . . . . . . . . 149 Y N . 27887 1 134 . 1 1 150 150 ASN N N 15 122.870 . . . . . . . . 150 N N . 27887 1 135 . 1 1 153 153 GLN N N 15 119.956 . . . . . . . . 153 Q N . 27887 1 136 . 1 1 154 154 GLY N N 15 109.875 . . . . . . . . 154 G N . 27887 1 137 . 1 1 155 155 TYR N N 15 120.027 . . . . . . . . 155 Y N . 27887 1 138 . 1 1 156 156 GLY N N 15 110.686 . . . . . . . . 156 G N . 27887 1 139 . 1 1 157 157 GLN N N 15 119.717 . . . . . . . . 157 Q N . 27887 1 140 . 1 1 158 158 GLN N N 15 121.028 . . . . . . . . 158 Q N . 27887 1 141 . 1 1 159 159 ASN N N 15 119.613 . . . . . . . . 159 N N . 27887 1 142 . 1 1 160 160 GLN N N 15 120.139 . . . . . . . . 160 Q N . 27887 1 143 . 1 1 161 161 TYR N N 15 120.345 . . . . . . . . 161 Y N . 27887 1 144 . 1 1 162 162 ASN N N 15 120.350 . . . . . . . . 162 N N . 27887 1 145 . 1 1 163 163 SER N N 15 121.306 . . . . . . . . 163 S N . 27887 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27887 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 hsqcnoef3gpsi . . . 27887 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 SER N N 15 . 1 1 3 3 SER H H 1 0.1223 0.00290232625978488 . . . 3 SER N . 3 SER H 27887 1 2 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 0.4202 0.00142508072932514 . . . 4 ASN N . 4 ASN H 27887 1 3 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.5667 0.00808632034051944 . . . 7 THR N . 7 THR H 27887 1 4 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.5212 0.00801100699735742 . . . 9 GLN N . 9 GLN H 27887 1 5 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.4993 0.00838037341763065 . . . 10 ALA N . 10 ALA H 27887 1 6 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.4630 0.00715632869113188 . . . 11 THR N . 11 THR H 27887 1 7 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.5034 0.00944323380339281 . . . 24 GLY N . 24 GLY H 27887 1 8 . 1 1 33 33 TYR N N 15 . 1 1 33 33 TYR H H 1 0.5199 0.00199077236739129 . . . 33 TYR N . 33 TYR H 27887 1 9 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.1628 0.00506769150446518 . . . 34 GLY N . 34 GLY H 27887 1 10 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.5212 0.00133369343323493 . . . 51 GLY N . 51 GLY H 27887 1 11 . 1 1 64 64 THR N N 15 . 1 1 64 64 THR H H 1 0.5051 0.00830845575609309 . . . 64 THR N . 64 THR H 27887 1 12 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.5265 0.00718348914827774 . . . 68 THR N . 68 THR H 27887 1 13 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.4927 0.00665023862411727 . . . 69 GLN N . 69 GLN H 27887 1 14 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.4821 0.00349688295741624 . . . 78 THR N . 78 THR H 27887 1 15 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.5299 0.00330384952838454 . . . 80 GLY N . 80 GLY H 27887 1 16 . 1 1 85 85 GLN N N 15 . 1 1 85 85 GLN H H 1 0.5097 0.00426692590337296 . . . 85 GLN N . 85 GLN H 27887 1 17 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 0.5086 0.0022064685632528 . . . 95 SER N . 95 SER H 27887 1 18 . 1 1 110 110 SER N N 15 . 1 1 110 110 SER H H 1 0.5117 0.00195092552012132 . . . 110 SER N . 110 SER H 27887 1 19 . 1 1 113 113 TYR N N 15 . 1 1 113 113 TYR H H 1 0.5311 0.00253022348906517 . . . 113 TYR N . 113 TYR H 27887 1 20 . 1 1 115 115 SER N N 15 . 1 1 115 115 SER H H 1 0.5033 0.00198662630221699 . . . 115 SER N . 115 SER H 27887 1 21 . 1 1 116 116 SER N N 15 . 1 1 116 116 SER H H 1 0.4848 0.00204949513072231 . . . 116 SER N . 116 SER H 27887 1 22 . 1 1 117 117 SER N N 15 . 1 1 117 117 SER H H 1 0.5071 0.00215416275083646 . . . 117 SER N . 117 SER H 27887 1 23 . 1 1 118 118 GLN N N 15 . 1 1 118 118 GLN H H 1 0.5149 0.00316764964307503 . . . 118 GLN N . 118 GLN H 27887 1 24 . 1 1 127 127 SER N N 15 . 1 1 127 127 SER H H 1 0.4925 0.00275195358050828 . . . 127 SER N . 127 SER H 27887 1 25 . 1 1 129 129 SER N N 15 . 1 1 129 129 SER H H 1 0.5067 0.00197334944046819 . . . 129 SER N . 129 SER H 27887 1 26 . 1 1 138 138 GLY N N 15 . 1 1 138 138 GLY H H 1 0.5429 0.00510864200184863 . . . 138 GLY N . 138 GLY H 27887 1 27 . 1 1 139 139 GLN N N 15 . 1 1 139 139 GLN H H 1 0.5258 0.00455137500232377 . . . 139 GLN N . 139 GLN H 27887 1 28 . 1 1 143 143 TYR N N 15 . 1 1 143 143 TYR H H 1 0.5426 0.00251335194993749 . . . 143 TYR N . 143 TYR H 27887 1 29 . 1 1 146 146 GLN N N 15 . 1 1 146 146 GLN H H 1 0.5112 0.00298446966405837 . . . 146 GLN N . 146 GLN H 27887 1 30 . 1 1 157 157 GLN N N 15 . 1 1 157 157 GLN H H 1 0.5236 0.00225063945498714 . . . 157 GLN N . 157 GLN H 27887 1 31 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 0.5340 0.00495378298677844 . . . 158 GLN N . 158 GLN H 27887 1 32 . 1 1 159 159 ASN N N 15 . 1 1 159 159 ASN H H 1 0.5294 0.00386332642790142 . . . 159 ASN N . 159 ASN H 27887 1 33 . 1 1 161 161 TYR N N 15 . 1 1 161 161 TYR H H 1 0.5416 0.00318747187762766 . . . 161 TYR N . 161 TYR H 27887 1 34 . 1 1 162 162 ASN N N 15 . 1 1 162 162 ASN H H 1 0.5291 0.00232081810388109 . . . 162 ASN N . 162 ASN H 27887 1 35 . 1 1 163 163 SER N N 15 . 1 1 163 163 SER H H 1 0.3096 0.000957435446378144 . . . 163 SER N . 163 SER H 27887 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27887 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 850 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'R1 relaxation rate constant values (in units of radians/sec) for FUS 1-163 in the condensed phase.' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 hsqct1etf3gpsitc3d . . . 27887 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 SER N N 15 1.01398282313098 0.00727287815663313 . . 3 SER N 27887 1 2 . 1 1 4 4 ASN N N 15 1.17720460993325 0.00337439323306032 . . 4 ASN N 27887 1 3 . 1 1 7 7 THR N N 15 0.852660300136426 0.0220811044358478 . . 7 THR N 27887 1 4 . 1 1 9 9 GLN N N 15 0.866851595006935 0.0224293679776344 . . 9 GLN N 27887 1 5 . 1 1 10 10 ALA N N 15 0.893655049151028 0.0243783397233256 . . 10 ALA N 27887 1 6 . 1 1 11 11 THR N N 15 0.812215724496426 0.0202192727357274 . . 11 THR N 27887 1 7 . 1 1 24 24 GLY N N 15 0.848176420695505 0.0243599727974679 . . 24 GLY N 27887 1 8 . 1 1 33 33 TYR N N 15 0.965064659332175 0.00532930023713674 . . 33 TYR N 27887 1 9 . 1 1 34 34 GLY N N 15 0.901957247226481 0.009008595198291 . . 34 GLY N 27887 1 10 . 1 1 51 51 GLY N N 15 0.972006220839813 0.00329648142163064 . . 51 GLY N 27887 1 11 . 1 1 64 64 THR N N 15 0.81406707912732 0.0229337126754289 . . 64 THR N 27887 1 12 . 1 1 68 68 THR N N 15 0.802761499558481 0.0199986798361482 . . 68 THR N 27887 1 13 . 1 1 69 69 GLN N N 15 0.959969280983008 0.0193283667440415 . . 69 GLN N 27887 1 14 . 1 1 78 78 THR N N 15 0.950570342205323 0.010704693001375 . . 78 THR N 27887 1 15 . 1 1 80 80 GLY N N 15 0.990883868410622 0.00941291964639424 . . 80 GLY N 27887 1 16 . 1 1 85 85 GLN N N 15 0.966090232827746 0.00935222299300187 . . 85 GLN N 27887 1 17 . 1 1 95 95 SER N N 15 0.941885655081473 0.00663023056772805 . . 95 SER N 27887 1 18 . 1 1 110 110 SER N N 15 0.966183574879227 0.00600984611289823 . . 110 SER N 27887 1 19 . 1 1 113 113 TYR N N 15 0.89437438511761 0.00792442863916232 . . 113 TYR N 27887 1 20 . 1 1 115 115 SER N N 15 0.930578820026056 0.0056382992095263 . . 115 SER N 27887 1 21 . 1 1 116 116 SER N N 15 1.01647709368869 0.0046851666458001 . . 116 SER N 27887 1 22 . 1 1 117 117 SER N N 15 0.994925878022087 0.00486736473531035 . . 117 SER N 27887 1 23 . 1 1 118 118 GLN N N 15 0.987751876728566 0.00733022849101805 . . 118 GLN N 27887 1 24 . 1 1 127 127 SER N N 15 0.873515024458421 0.00717328629773384 . . 127 SER N 27887 1 25 . 1 1 129 129 SER N N 15 0.949307005885703 0.00477093312276533 . . 129 SER N 27887 1 26 . 1 1 138 138 GLY N N 15 0.922168941350055 0.0133232585159822 . . 138 GLY N 27887 1 27 . 1 1 139 139 GLN N N 15 0.832431532506451 0.0140619528796853 . . 139 GLN N 27887 1 28 . 1 1 143 143 TYR N N 15 0.809716599190283 0.00869638345854296 . . 143 TYR N 27887 1 29 . 1 1 146 146 GLN N N 15 0.859328005499699 0.00933229446607564 . . 146 GLN N 27887 1 30 . 1 1 157 157 GLN N N 15 0.771664480283972 0.00677401879318862 . . 157 GLN N 27887 1 31 . 1 1 158 158 GLN N N 15 0.846883468834688 0.0129484512215791 . . 158 GLN N 27887 1 32 . 1 1 159 159 ASN N N 15 0.876193814071673 0.0101267148844191 . . 159 ASN N 27887 1 33 . 1 1 161 161 TYR N N 15 0.901875901875902 0.0104080008746341 . . 161 TYR N 27887 1 34 . 1 1 162 162 ASN N N 15 1.01149053244862 0.00694902871392422 . . 162 ASN N 27887 1 35 . 1 1 163 163 SER N N 15 1.0801118995928 0.00192265864332986 . . 163 SER N 27887 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27887 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 850 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 hsqct2etf3gpsitc3d . . . 27887 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 SER N N 15 9.48226815854352 0.0440708350864032 . . . . 3 SER N 27887 1 2 . 1 1 4 4 ASN N N 15 14.6337894197702 0.0424813985199073 . . . . 4 ASN N 27887 1 3 . 1 1 6 6 TYR N N 15 31.5457413249211 1.05048272848452 . . . . 6 TYR N 27887 1 4 . 1 1 7 7 THR N N 15 37.5855070284898 2.14559288728025 . . . . 7 THR N 27887 1 5 . 1 1 9 9 GLN N N 15 16.1381424997983 1.06340632765815 . . . . 9 GLN N 27887 1 6 . 1 1 10 10 ALA N N 15 28.2039711191336 1.88270860515209 . . . . 10 ALA N 27887 1 7 . 1 1 11 11 THR N N 15 35.7922617130176 1.70741016485342 . . . . 11 THR N 27887 1 8 . 1 1 14 14 TYR N N 15 37.9968082681055 0.820520874509 . . . . 14 TYR N 27887 1 9 . 1 1 24 24 GLY N N 15 42.6511984986778 1.85125736934927 . . . . 24 GLY N 27887 1 10 . 1 1 33 33 TYR N N 15 24.3409682837183 0.229672061567967 . . . . 33 TYR N 27887 1 11 . 1 1 34 34 GLY N N 15 40.3909847322078 1.35367487348887 . . . . 34 GLY N 27887 1 12 . 1 1 43 43 GLN N N 15 36.4604222116892 2.32873544296316 . . . . 43 GLN N 27887 1 13 . 1 1 47 47 THR N N 15 31.2139089178138 2.54546774905545 . . . . 47 THR N 27887 1 14 . 1 1 51 51 GLY N N 15 27.332112498975 0.173391352345604 . . . . 51 GLY N 27887 1 15 . 1 1 55 55 TYR N N 15 36.6824401159165 1.37213394874962 . . . . 55 TYR N 27887 1 16 . 1 1 58 58 TYR N N 15 38.3288616328095 1.35963132367365 . . . . 58 TYR N 27887 1 17 . 1 1 63 63 ASN N N 15 32.5785958625183 0.755181921185454 . . . . 63 ASN N 27887 1 18 . 1 1 64 64 THR N N 15 34.0831629175187 2.0007249048908 . . . . 64 THR N 27887 1 19 . 1 1 68 68 THR N N 15 37.684654808562 1.92683569260262 . . . . 68 THR N 27887 1 20 . 1 1 69 69 GLN N N 15 26.459226332222 1.32526603121023 . . . . 69 GLN N 27887 1 21 . 1 1 78 78 THR N N 15 28.4131268646115 0.654798481979956 . . . . 78 THR N 27887 1 22 . 1 1 80 80 GLY N N 15 26.7909767990141 0.373605800875509 . . . . 80 GLY N 27887 1 23 . 1 1 85 85 GLN N N 15 27.5345558676139 0.503139131050151 . . . . 85 GLN N 27887 1 24 . 1 1 95 95 SER N N 15 29.8694704142896 0.376870912647686 . . . . 95 SER N 27887 1 25 . 1 1 110 110 SER N N 15 28.0685996575631 0.327116223990433 . . . . 110 SER N 27887 1 26 . 1 1 113 113 TYR N N 15 31.6696224980998 0.533582300435317 . . . . 113 TYR N 27887 1 27 . 1 1 115 115 SER N N 15 28.2382176037049 0.30181692973693 . . . . 115 SER N 27887 1 28 . 1 1 116 116 SER N N 15 27.2294077603812 0.219132402734484 . . . . 116 SER N 27887 1 29 . 1 1 117 117 SER N N 15 27.4137836504194 0.239018822847221 . . . . 117 SER N 27887 1 30 . 1 1 118 118 GLN N N 15 25.142052597174 0.321083656577322 . . . . 118 GLN N 27887 1 31 . 1 1 127 127 SER N N 15 37.0123621289511 0.597373677698783 . . . . 127 SER N 27887 1 32 . 1 1 129 129 SER N N 15 26.3407438626067 0.225184802561664 . . . . 129 SER N 27887 1 33 . 1 1 132 132 GLN N N 15 31.2822598304502 0.941823869673815 . . . . 132 GLN N 27887 1 34 . 1 1 138 138 GLY N N 15 32.517152798101 0.825861123607602 . . . . 138 GLY N 27887 1 35 . 1 1 139 139 GLN N N 15 33.357795716859 1.28179664441806 . . . . 139 GLN N 27887 1 36 . 1 1 146 146 GLN N N 15 26.195840100592 0.62282762308773 . . . . 146 GLN N 27887 1 37 . 1 1 153 153 GLN N N 15 29.1154719618005 5.16009675557344 . . . . 153 GLN N 27887 1 38 . 1 1 154 154 GLY N N 15 22.0128555076165 1.4217700890877 . . . . 154 GLY N 27887 1 39 . 1 1 157 157 GLN N N 15 34.6909040449594 0.761866837254431 . . . . 157 GLN N 27887 1 40 . 1 1 158 158 GLN N N 15 31.8532203605785 0.888245494492757 . . . . 158 GLN N 27887 1 41 . 1 1 161 161 TYR N N 15 31.252929962184 0.637275885905776 . . . . 161 TYR N 27887 1 42 . 1 1 162 162 ASN N N 15 23.1336895921531 0.234317969734196 . . . . 162 ASN N 27887 1 43 . 1 1 163 163 SER N N 15 11.7065861253541 0.0157208621724028 . . . . 163 SER N 27887 1 stop_ save_