data_11374 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11374 _Entry.Title ; Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (CCCCC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _Entry.Last_release_date 2010-11-30 _Entry.Original_release_date 2010-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Takahashi . . . 11374 2 K. Kuwasako . . . 11374 3 C. Abe . . . 11374 4 K. Tsuda . . . 11374 5 M. Inoue . . . 11374 6 T. Terada . . . 11374 7 M. Shirouzu . . . 11374 8 N. Kobayashi . . . 11374 9 T. Kigawa . . . 11374 10 S. Taguchi . . . 11374 11 P. Guntert . . . 11374 12 Y. Hayashizaki . . . 11374 13 A. Tanaka . . . 11374 14 Y. Muto . . . 11374 15 S. Yokoyama . . . 11374 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11374 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11374 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 96 11374 '1H chemical shifts' 96 11374 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-30 2010-09-08 original author . 11374 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11370 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, C terminal truncated' 11374 BMRB 11371 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, D131A mutant' 11374 BMRB 11372 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, K138A mutant' 11374 BMRB 11373 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, T134A mutant' 11374 BMRB 11375 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (UUUUU)' 11374 BMRB 11376 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1' 11374 PDB 2RNE 'BMRB Entry Tracking System' 11374 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11374 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18500819 _Citation.Full_citation . _Citation.Title 'Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 47 _Citation.Journal_issue 24 _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 6437 _Citation.Page_last 6450 _Citation.Year 2008 _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 Kanako Kuwasako . . . 11374 1 2 Mari Takahashi . . . 11374 1 3 Naoya Tochio . . . 11374 1 4 Chikage Abe . . . 11374 1 5 Kengo Tsuda . . . 11374 1 6 Makoto Inoue . . . 11374 1 7 Takaho Terada . . . 11374 1 8 Mikako Shirouzu . . . 11374 1 9 Naohiro Kobayashi . . . 11374 1 10 Takanori Kigawa . . . 11374 1 11 Seiichi Taguchi . . . 11374 1 12 Akiko Tanaka . . . 11374 1 13 Yoshihide Hayashizaki . . . 11374 1 14 Peter Guntert . . . 11374 1 15 Yutaka Muto . . . 11374 1 16 Shigeyuki Yokoyama . . . 11374 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11374 _Assembly.ID 1 _Assembly.Name 'Tia1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'RRM domain' 1 $entity_1 A . yes native no no . . . 11374 1 2 'RNA (CCCCC)' 2 $entity_2 B . no native no no . . . 11374 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2rne . . . . . . 11374 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11374 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGQKKDTSNHFHVFV GDLSPEITTEDIKAAFAPFG RISDARVVKDMATGKSKGYG FVSFFNKWDAENAIQQMGGQ WLGGRQIRTNWATRKPPAPK STYESNTKQSGPSSG ; _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 115 _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 2015-11-26 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 11370 . "RRM domain C terminal truncated" . . . . . 75.65 87 100.00 100.00 7.66e-57 . . . . 11374 1 2 no BMRB 11371 . "RRM domain D131A mutant" . . . . . 89.57 103 99.03 99.03 2.52e-68 . . . . 11374 1 3 no BMRB 11372 . "RRM domain K138A mutant" . . . . . 89.57 103 99.03 99.03 1.06e-68 . . . . 11374 1 4 no BMRB 11373 . "RRM domain T134A mutant" . . . . . 89.57 103 99.03 99.03 9.22e-69 . . . . 11374 1 5 no BMRB 11375 . "RRM domain" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11374 1 6 no BMRB 11376 . "RRM domain" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11374 1 7 no PDB 2DGO . "Solution Structure Of The Rna Binding Domain In Cytotoxic Granule-Associated Rna Binding Protein 1" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11374 1 8 no PDB 2RNE . "Solution Structure Of The Second Rna Recognition Motif (Rrm) Of Tia-1" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11374 1 9 no GB EAW99825 . "TIA1 cytotoxic granule-associated RNA binding protein, isoform CRA_c, partial [Homo sapiens]" . . . . . 90.43 144 99.04 99.04 2.33e-69 . . . . 11374 1 10 no REF XP_005430921 . "PREDICTED: nucleolysin TIA-1 isoform p40 [Geospiza fortis]" . . . . . 90.43 367 98.08 99.04 7.29e-66 . . . . 11374 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain' . 11374 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 . GLY . 11374 1 2 . SER . 11374 1 3 . SER . 11374 1 4 . GLY . 11374 1 5 . SER . 11374 1 6 . SER . 11374 1 7 . GLY . 11374 1 8 . GLN . 11374 1 9 3 LYS . 11374 1 10 4 LYS . 11374 1 11 5 ASP . 11374 1 12 6 THR . 11374 1 13 7 SER . 11374 1 14 8 ASN . 11374 1 15 9 HIS . 11374 1 16 10 PHE . 11374 1 17 11 HIS . 11374 1 18 12 VAL . 11374 1 19 13 PHE . 11374 1 20 14 VAL . 11374 1 21 15 GLY . 11374 1 22 16 ASP . 11374 1 23 17 LEU . 11374 1 24 18 SER . 11374 1 25 19 PRO . 11374 1 26 20 GLU . 11374 1 27 21 ILE . 11374 1 28 22 THR . 11374 1 29 23 THR . 11374 1 30 24 GLU . 11374 1 31 25 ASP . 11374 1 32 26 ILE . 11374 1 33 27 LYS . 11374 1 34 28 ALA . 11374 1 35 29 ALA . 11374 1 36 30 PHE . 11374 1 37 31 ALA . 11374 1 38 32 PRO . 11374 1 39 33 PHE . 11374 1 40 34 GLY . 11374 1 41 35 ARG . 11374 1 42 36 ILE . 11374 1 43 37 SER . 11374 1 44 38 ASP . 11374 1 45 39 ALA . 11374 1 46 40 ARG . 11374 1 47 41 VAL . 11374 1 48 42 VAL . 11374 1 49 43 LYS . 11374 1 50 44 ASP . 11374 1 51 45 MET . 11374 1 52 46 ALA . 11374 1 53 47 THR . 11374 1 54 48 GLY . 11374 1 55 49 LYS . 11374 1 56 50 SER . 11374 1 57 51 LYS . 11374 1 58 52 GLY . 11374 1 59 53 TYR . 11374 1 60 54 GLY . 11374 1 61 55 PHE . 11374 1 62 56 VAL . 11374 1 63 57 SER . 11374 1 64 58 PHE . 11374 1 65 59 PHE . 11374 1 66 60 ASN . 11374 1 67 61 LYS . 11374 1 68 62 TRP . 11374 1 69 63 ASP . 11374 1 70 64 ALA . 11374 1 71 65 GLU . 11374 1 72 66 ASN . 11374 1 73 67 ALA . 11374 1 74 68 ILE . 11374 1 75 69 GLN . 11374 1 76 70 GLN . 11374 1 77 71 MET . 11374 1 78 72 GLY . 11374 1 79 73 GLY . 11374 1 80 74 GLN . 11374 1 81 75 TRP . 11374 1 82 76 LEU . 11374 1 83 77 GLY . 11374 1 84 78 GLY . 11374 1 85 79 ARG . 11374 1 86 80 GLN . 11374 1 87 81 ILE . 11374 1 88 82 ARG . 11374 1 89 83 THR . 11374 1 90 84 ASN . 11374 1 91 85 TRP . 11374 1 92 86 ALA . 11374 1 93 87 THR . 11374 1 94 88 ARG . 11374 1 95 89 LYS . 11374 1 96 90 PRO . 11374 1 97 91 PRO . 11374 1 98 92 ALA . 11374 1 99 93 PRO . 11374 1 100 94 LYS . 11374 1 101 95 SER . 11374 1 102 96 THR . 11374 1 103 97 TYR . 11374 1 104 98 GLU . 11374 1 105 99 SER . 11374 1 106 100 ASN . 11374 1 107 101 THR . 11374 1 108 102 LYS . 11374 1 109 103 GLN . 11374 1 110 104 SER . 11374 1 111 105 GLY . 11374 1 112 106 PRO . 11374 1 113 107 SER . 11374 1 114 108 SER . 11374 1 115 109 GLY . 11374 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 . GLY 1 1 11374 1 . SER 2 2 11374 1 . SER 3 3 11374 1 . GLY 4 4 11374 1 . SER 5 5 11374 1 . SER 6 6 11374 1 . GLY 7 7 11374 1 . GLN 8 8 11374 1 . LYS 9 9 11374 1 . LYS 10 10 11374 1 . ASP 11 11 11374 1 . THR 12 12 11374 1 . SER 13 13 11374 1 . ASN 14 14 11374 1 . HIS 15 15 11374 1 . PHE 16 16 11374 1 . HIS 17 17 11374 1 . VAL 18 18 11374 1 . PHE 19 19 11374 1 . VAL 20 20 11374 1 . GLY 21 21 11374 1 . ASP 22 22 11374 1 . LEU 23 23 11374 1 . SER 24 24 11374 1 . PRO 25 25 11374 1 . GLU 26 26 11374 1 . ILE 27 27 11374 1 . THR 28 28 11374 1 . THR 29 29 11374 1 . GLU 30 30 11374 1 . ASP 31 31 11374 1 . ILE 32 32 11374 1 . LYS 33 33 11374 1 . ALA 34 34 11374 1 . ALA 35 35 11374 1 . PHE 36 36 11374 1 . ALA 37 37 11374 1 . PRO 38 38 11374 1 . PHE 39 39 11374 1 . GLY 40 40 11374 1 . ARG 41 41 11374 1 . ILE 42 42 11374 1 . SER 43 43 11374 1 . ASP 44 44 11374 1 . ALA 45 45 11374 1 . ARG 46 46 11374 1 . VAL 47 47 11374 1 . VAL 48 48 11374 1 . LYS 49 49 11374 1 . ASP 50 50 11374 1 . MET 51 51 11374 1 . ALA 52 52 11374 1 . THR 53 53 11374 1 . GLY 54 54 11374 1 . LYS 55 55 11374 1 . SER 56 56 11374 1 . LYS 57 57 11374 1 . GLY 58 58 11374 1 . TYR 59 59 11374 1 . GLY 60 60 11374 1 . PHE 61 61 11374 1 . VAL 62 62 11374 1 . SER 63 63 11374 1 . PHE 64 64 11374 1 . PHE 65 65 11374 1 . ASN 66 66 11374 1 . LYS 67 67 11374 1 . TRP 68 68 11374 1 . ASP 69 69 11374 1 . ALA 70 70 11374 1 . GLU 71 71 11374 1 . ASN 72 72 11374 1 . ALA 73 73 11374 1 . ILE 74 74 11374 1 . GLN 75 75 11374 1 . GLN 76 76 11374 1 . MET 77 77 11374 1 . GLY 78 78 11374 1 . GLY 79 79 11374 1 . GLN 80 80 11374 1 . TRP 81 81 11374 1 . LEU 82 82 11374 1 . GLY 83 83 11374 1 . GLY 84 84 11374 1 . ARG 85 85 11374 1 . GLN 86 86 11374 1 . ILE 87 87 11374 1 . ARG 88 88 11374 1 . THR 89 89 11374 1 . ASN 90 90 11374 1 . TRP 91 91 11374 1 . ALA 92 92 11374 1 . THR 93 93 11374 1 . ARG 94 94 11374 1 . LYS 95 95 11374 1 . PRO 96 96 11374 1 . PRO 97 97 11374 1 . ALA 98 98 11374 1 . PRO 99 99 11374 1 . LYS 100 100 11374 1 . SER 101 101 11374 1 . THR 102 102 11374 1 . TYR 103 103 11374 1 . GLU 104 104 11374 1 . SER 105 105 11374 1 . ASN 106 106 11374 1 . THR 107 107 11374 1 . LYS 108 108 11374 1 . GLN 109 109 11374 1 . SER 110 110 11374 1 . GLY 111 111 11374 1 . PRO 112 112 11374 1 . SER 113 113 11374 1 . SER 114 114 11374 1 . GLY 115 115 11374 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11374 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RNA (CCCCC)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CCCCC _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 5 _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA (CCCCC)' . 11374 2 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 . C . 11374 2 2 . C . 11374 2 3 . C . 11374 2 4 . C . 11374 2 5 . C . 11374 2 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 . C 1 1 11374 2 . C 2 2 11374 2 . C 3 3 11374 2 . C 4 4 11374 2 . C 5 5 11374 2 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 11374 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11374 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 11374 _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 $entity_1 . 'cell free synthesis' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 11374 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11374 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2mM RNA, 20mM [U-99% 2H] TRIS, 100mM sodium chloride, 1mM [U-98% 2H] DTT, 0.02% sodium azide, 1mM [U-99% 13C; U-99% 15N] protein, 90% H2O/10% D2O ; _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 'RRM domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 11374 1 2 'RNA (CCCCC)' 'natural abundance' . . 2 $entity_2 . RNA 0.2 . . mM . . . . 11374 1 3 TRIS '[U-99% 2H]' . . . . . buffer 20 . . mM . . . . 11374 1 4 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11374 1 5 DTT '[U-98% 2H]' . . . . . salt 1 . . mM . . . . 11374 1 6 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11374 1 7 H2O . . . . . . solvent 90 . . % . . . . 11374 1 8 D2O . . . . . . solvent 10 . . % . . . . 11374 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11374 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.1 mM 11374 1 pH 7.0 0.05 pH 11374 1 pressure 1 0.001 atm 11374 1 temperature 298 0.1 K 11374 1 stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 11374 _Software.ID 1 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 11374 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11374 1 'structure solution' 11374 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 11374 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11374 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 11374 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 11374 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11374 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11374 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11374 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11374 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11374 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11374 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11374 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11374 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $OPAL . . 11374 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 9 9 LYS H H 1 8.535 0.030 . 1 . . . . 3 LYS H . 11374 1 2 . 1 1 9 9 LYS N N 15 123.849 0.300 . 1 . . . . 3 LYS N . 11374 1 3 . 1 1 10 10 LYS H H 1 8.459 0.030 . 1 . . . . 4 LYS H . 11374 1 4 . 1 1 10 10 LYS N N 15 123.658 0.300 . 1 . . . . 4 LYS N . 11374 1 5 . 1 1 11 11 ASP H H 1 8.448 0.030 . 1 . . . . 5 ASP H . 11374 1 6 . 1 1 11 11 ASP N N 15 122.345 0.300 . 1 . . . . 5 ASP N . 11374 1 7 . 1 1 12 12 THR H H 1 8.220 0.030 . 1 . . . . 6 THR H . 11374 1 8 . 1 1 12 12 THR N N 15 114.842 0.300 . 1 . . . . 6 THR N . 11374 1 9 . 1 1 13 13 SER H H 1 8.317 0.030 . 1 . . . . 7 SER H . 11374 1 10 . 1 1 13 13 SER N N 15 118.883 0.300 . 1 . . . . 7 SER N . 11374 1 11 . 1 1 14 14 ASN H H 1 8.262 0.030 . 1 . . . . 8 ASN H . 11374 1 12 . 1 1 14 14 ASN N N 15 119.331 0.300 . 1 . . . . 8 ASN N . 11374 1 13 . 1 1 15 15 HIS H H 1 7.373 0.030 . 1 . . . . 9 HIS H . 11374 1 14 . 1 1 15 15 HIS N N 15 119.153 0.300 . 1 . . . . 9 HIS N . 11374 1 15 . 1 1 16 16 PHE H H 1 8.390 0.030 . 1 . . . . 10 PHE H . 11374 1 16 . 1 1 16 16 PHE N N 15 117.347 0.300 . 1 . . . . 10 PHE N . 11374 1 17 . 1 1 17 17 HIS H H 1 8.920 0.030 . 1 . . . . 11 HIS H . 11374 1 18 . 1 1 17 17 HIS N N 15 124.353 0.300 . 1 . . . . 11 HIS N . 11374 1 19 . 1 1 18 18 VAL H H 1 9.818 0.030 . 1 . . . . 12 VAL H . 11374 1 20 . 1 1 18 18 VAL N N 15 126.932 0.300 . 1 . . . . 12 VAL N . 11374 1 21 . 1 1 19 19 PHE H H 1 9.123 0.030 . 1 . . . . 13 PHE H . 11374 1 22 . 1 1 19 19 PHE N N 15 128.213 0.300 . 1 . . . . 13 PHE N . 11374 1 23 . 1 1 20 20 VAL H H 1 7.681 0.030 . 1 . . . . 14 VAL H . 11374 1 24 . 1 1 20 20 VAL N N 15 126.893 0.300 . 1 . . . . 14 VAL N . 11374 1 25 . 1 1 21 21 GLY H H 1 8.654 0.030 . 1 . . . . 15 GLY H . 11374 1 26 . 1 1 21 21 GLY N N 15 111.045 0.300 . 1 . . . . 15 GLY N . 11374 1 27 . 1 1 22 22 ASP H H 1 8.378 0.030 . 1 . . . . 16 ASP H . 11374 1 28 . 1 1 22 22 ASP N N 15 115.636 0.300 . 1 . . . . 16 ASP N . 11374 1 29 . 1 1 23 23 LEU H H 1 7.597 0.030 . 1 . . . . 17 LEU H . 11374 1 30 . 1 1 23 23 LEU N N 15 112.377 0.300 . 1 . . . . 17 LEU N . 11374 1 31 . 1 1 24 24 SER H H 1 8.935 0.030 . 1 . . . . 18 SER H . 11374 1 32 . 1 1 24 24 SER N N 15 120.901 0.300 . 1 . . . . 18 SER N . 11374 1 33 . 1 1 26 26 GLU H H 1 9.009 0.030 . 1 . . . . 20 GLU H . 11374 1 34 . 1 1 26 26 GLU N N 15 116.129 0.300 . 1 . . . . 20 GLU N . 11374 1 35 . 1 1 27 27 ILE H H 1 7.351 0.030 . 1 . . . . 21 ILE H . 11374 1 36 . 1 1 27 27 ILE N N 15 121.706 0.300 . 1 . . . . 21 ILE N . 11374 1 37 . 1 1 28 28 THR H H 1 9.403 0.030 . 1 . . . . 22 THR H . 11374 1 38 . 1 1 28 28 THR N N 15 121.223 0.300 . 1 . . . . 22 THR N . 11374 1 39 . 1 1 29 29 THR H H 1 9.032 0.030 . 1 . . . . 23 THR H . 11374 1 40 . 1 1 29 29 THR N N 15 118.411 0.300 . 1 . . . . 23 THR N . 11374 1 41 . 1 1 30 30 GLU H H 1 8.411 0.030 . 1 . . . . 24 GLU H . 11374 1 42 . 1 1 30 30 GLU N N 15 119.940 0.300 . 1 . . . . 24 GLU N . 11374 1 43 . 1 1 31 31 ASP H H 1 7.703 0.030 . 1 . . . . 25 ASP H . 11374 1 44 . 1 1 31 31 ASP N N 15 120.100 0.300 . 1 . . . . 25 ASP N . 11374 1 45 . 1 1 32 32 ILE H H 1 7.916 0.030 . 1 . . . . 26 ILE H . 11374 1 46 . 1 1 32 32 ILE N N 15 118.520 0.300 . 1 . . . . 26 ILE N . 11374 1 47 . 1 1 33 33 LYS H H 1 8.290 0.030 . 1 . . . . 27 LYS H . 11374 1 48 . 1 1 33 33 LYS N N 15 121.653 0.300 . 1 . . . . 27 LYS N . 11374 1 49 . 1 1 34 34 ALA H H 1 7.744 0.030 . 1 . . . . 28 ALA H . 11374 1 50 . 1 1 34 34 ALA N N 15 118.243 0.300 . 1 . . . . 28 ALA N . 11374 1 51 . 1 1 35 35 ALA H H 1 7.833 0.030 . 1 . . . . 29 ALA H . 11374 1 52 . 1 1 35 35 ALA N N 15 118.034 0.300 . 1 . . . . 29 ALA N . 11374 1 53 . 1 1 36 36 PHE H H 1 7.974 0.030 . 1 . . . . 30 PHE H . 11374 1 54 . 1 1 36 36 PHE N N 15 112.056 0.300 . 1 . . . . 30 PHE N . 11374 1 55 . 1 1 37 37 ALA H H 1 8.043 0.030 . 1 . . . . 31 ALA H . 11374 1 56 . 1 1 37 37 ALA N N 15 125.049 0.300 . 1 . . . . 31 ALA N . 11374 1 57 . 1 1 39 39 PHE H H 1 7.692 0.030 . 1 . . . . 33 PHE H . 11374 1 58 . 1 1 39 39 PHE N N 15 112.696 0.300 . 1 . . . . 33 PHE N . 11374 1 59 . 1 1 40 40 GLY H H 1 7.601 0.030 . 1 . . . . 34 GLY H . 11374 1 60 . 1 1 40 40 GLY N N 15 104.647 0.300 . 1 . . . . 34 GLY N . 11374 1 61 . 1 1 41 41 ARG H H 1 8.237 0.030 . 1 . . . . 35 ARG H . 11374 1 62 . 1 1 41 41 ARG N N 15 116.988 0.300 . 1 . . . . 35 ARG N . 11374 1 63 . 1 1 42 42 ILE H H 1 8.508 0.030 . 1 . . . . 36 ILE H . 11374 1 64 . 1 1 42 42 ILE N N 15 128.034 0.300 . 1 . . . . 36 ILE N . 11374 1 65 . 1 1 43 43 SER H H 1 8.838 0.030 . 1 . . . . 37 SER H . 11374 1 66 . 1 1 43 43 SER N N 15 123.297 0.300 . 1 . . . . 37 SER N . 11374 1 67 . 1 1 44 44 ASP H H 1 7.267 0.030 . 1 . . . . 38 ASP H . 11374 1 68 . 1 1 44 44 ASP N N 15 119.641 0.300 . 1 . . . . 38 ASP N . 11374 1 69 . 1 1 45 45 ALA H H 1 7.984 0.030 . 1 . . . . 39 ALA H . 11374 1 70 . 1 1 45 45 ALA N N 15 121.317 0.300 . 1 . . . . 39 ALA N . 11374 1 71 . 1 1 46 46 ARG H H 1 8.735 0.030 . 1 . . . . 40 ARG H . 11374 1 72 . 1 1 46 46 ARG N N 15 115.328 0.300 . 1 . . . . 40 ARG N . 11374 1 73 . 1 1 47 47 VAL H H 1 7.608 0.030 . 1 . . . . 41 VAL H . 11374 1 74 . 1 1 47 47 VAL N N 15 123.242 0.300 . 1 . . . . 41 VAL N . 11374 1 75 . 1 1 48 48 VAL H H 1 8.388 0.030 . 1 . . . . 42 VAL H . 11374 1 76 . 1 1 48 48 VAL N N 15 130.306 0.300 . 1 . . . . 42 VAL N . 11374 1 77 . 1 1 49 49 LYS H H 1 8.165 0.030 . 1 . . . . 43 LYS H . 11374 1 78 . 1 1 49 49 LYS N N 15 125.241 0.300 . 1 . . . . 43 LYS N . 11374 1 79 . 1 1 50 50 ASP H H 1 8.644 0.030 . 1 . . . . 44 ASP H . 11374 1 80 . 1 1 50 50 ASP N N 15 121.838 0.300 . 1 . . . . 44 ASP N . 11374 1 81 . 1 1 51 51 MET H H 1 9.061 0.030 . 1 . . . . 45 MET H . 11374 1 82 . 1 1 51 51 MET N N 15 127.283 0.300 . 1 . . . . 45 MET N . 11374 1 83 . 1 1 52 52 ALA H H 1 8.559 0.030 . 1 . . . . 46 ALA H . 11374 1 84 . 1 1 52 52 ALA N N 15 120.754 0.300 . 1 . . . . 46 ALA N . 11374 1 85 . 1 1 53 53 THR H H 1 7.756 0.030 . 1 . . . . 47 THR H . 11374 1 86 . 1 1 53 53 THR N N 15 104.923 0.300 . 1 . . . . 47 THR N . 11374 1 87 . 1 1 54 54 GLY H H 1 8.451 0.030 . 1 . . . . 48 GLY H . 11374 1 88 . 1 1 54 54 GLY N N 15 111.463 0.300 . 1 . . . . 48 GLY N . 11374 1 89 . 1 1 55 55 LYS H H 1 7.701 0.030 . 1 . . . . 49 LYS H . 11374 1 90 . 1 1 55 55 LYS N N 15 119.242 0.300 . 1 . . . . 49 LYS N . 11374 1 91 . 1 1 56 56 SER H H 1 8.761 0.030 . 1 . . . . 50 SER H . 11374 1 92 . 1 1 56 56 SER N N 15 115.540 0.300 . 1 . . . . 50 SER N . 11374 1 93 . 1 1 57 57 LYS H H 1 9.294 0.030 . 1 . . . . 51 LYS H . 11374 1 94 . 1 1 57 57 LYS N N 15 125.916 0.300 . 1 . . . . 51 LYS N . 11374 1 95 . 1 1 58 58 GLY H H 1 9.159 0.030 . 1 . . . . 52 GLY H . 11374 1 96 . 1 1 58 58 GLY N N 15 106.718 0.300 . 1 . . . . 52 GLY N . 11374 1 97 . 1 1 59 59 TYR H H 1 6.977 0.030 . 1 . . . . 53 TYR H . 11374 1 98 . 1 1 59 59 TYR N N 15 112.875 0.300 . 1 . . . . 53 TYR N . 11374 1 99 . 1 1 60 60 GLY H H 1 8.787 0.030 . 1 . . . . 54 GLY H . 11374 1 100 . 1 1 60 60 GLY N N 15 106.234 0.300 . 1 . . . . 54 GLY N . 11374 1 101 . 1 1 61 61 PHE H H 1 8.459 0.030 . 1 . . . . 55 PHE H . 11374 1 102 . 1 1 61 61 PHE N N 15 113.453 0.300 . 1 . . . . 55 PHE N . 11374 1 103 . 1 1 62 62 VAL H H 1 8.932 0.030 . 1 . . . . 56 VAL H . 11374 1 104 . 1 1 62 62 VAL N N 15 120.167 0.300 . 1 . . . . 56 VAL N . 11374 1 105 . 1 1 63 63 SER H H 1 8.770 0.030 . 1 . . . . 57 SER H . 11374 1 106 . 1 1 63 63 SER N N 15 122.337 0.300 . 1 . . . . 57 SER N . 11374 1 107 . 1 1 64 64 PHE H H 1 9.263 0.030 . 1 . . . . 58 PHE H . 11374 1 108 . 1 1 64 64 PHE N N 15 121.902 0.300 . 1 . . . . 58 PHE N . 11374 1 109 . 1 1 65 65 PHE H H 1 7.703 0.030 . 1 . . . . 59 PHE H . 11374 1 110 . 1 1 65 65 PHE N N 15 117.991 0.300 . 1 . . . . 59 PHE N . 11374 1 111 . 1 1 66 66 ASN H H 1 8.667 0.030 . 1 . . . . 60 ASN H . 11374 1 112 . 1 1 66 66 ASN N N 15 114.221 0.300 . 1 . . . . 60 ASN N . 11374 1 113 . 1 1 67 67 LYS H H 1 8.165 0.030 . 1 . . . . 61 LYS H . 11374 1 114 . 1 1 67 67 LYS N N 15 126.726 0.300 . 1 . . . . 61 LYS N . 11374 1 115 . 1 1 68 68 TRP H H 1 7.571 0.030 . 1 . . . . 62 TRP H . 11374 1 116 . 1 1 68 68 TRP N N 15 116.532 0.300 . 1 . . . . 62 TRP N . 11374 1 117 . 1 1 69 69 ASP H H 1 6.859 0.030 . 1 . . . . 63 ASP H . 11374 1 118 . 1 1 69 69 ASP N N 15 121.274 0.300 . 1 . . . . 63 ASP N . 11374 1 119 . 1 1 70 70 ALA H H 1 6.597 0.030 . 1 . . . . 64 ALA H . 11374 1 120 . 1 1 70 70 ALA N N 15 119.724 0.300 . 1 . . . . 64 ALA N . 11374 1 121 . 1 1 71 71 GLU H H 1 8.322 0.030 . 1 . . . . 65 GLU H . 11374 1 122 . 1 1 71 71 GLU N N 15 117.200 0.300 . 1 . . . . 65 GLU N . 11374 1 123 . 1 1 72 72 ASN H H 1 7.917 0.030 . 1 . . . . 66 ASN H . 11374 1 124 . 1 1 72 72 ASN N N 15 117.876 0.300 . 1 . . . . 66 ASN N . 11374 1 125 . 1 1 73 73 ALA H H 1 7.877 0.030 . 1 . . . . 67 ALA H . 11374 1 126 . 1 1 73 73 ALA N N 15 121.655 0.300 . 1 . . . . 67 ALA N . 11374 1 127 . 1 1 74 74 ILE H H 1 8.072 0.030 . 1 . . . . 68 ILE H . 11374 1 128 . 1 1 74 74 ILE N N 15 116.524 0.300 . 1 . . . . 68 ILE N . 11374 1 129 . 1 1 75 75 GLN H H 1 7.623 0.030 . 1 . . . . 69 GLN H . 11374 1 130 . 1 1 75 75 GLN N N 15 117.094 0.300 . 1 . . . . 69 GLN N . 11374 1 131 . 1 1 76 76 GLN H H 1 8.427 0.030 . 1 . . . . 70 GLN H . 11374 1 132 . 1 1 76 76 GLN N N 15 114.692 0.300 . 1 . . . . 70 GLN N . 11374 1 133 . 1 1 77 77 MET H H 1 7.681 0.030 . 1 . . . . 71 MET H . 11374 1 134 . 1 1 77 77 MET N N 15 113.167 0.300 . 1 . . . . 71 MET N . 11374 1 135 . 1 1 78 78 GLY H H 1 7.029 0.030 . 1 . . . . 72 GLY H . 11374 1 136 . 1 1 78 78 GLY N N 15 106.996 0.300 . 1 . . . . 72 GLY N . 11374 1 137 . 1 1 79 79 GLY H H 1 8.441 0.030 . 1 . . . . 73 GLY H . 11374 1 138 . 1 1 79 79 GLY N N 15 115.358 0.300 . 1 . . . . 73 GLY N . 11374 1 139 . 1 1 80 80 GLN H H 1 7.605 0.030 . 1 . . . . 74 GLN H . 11374 1 140 . 1 1 80 80 GLN N N 15 119.082 0.300 . 1 . . . . 74 GLN N . 11374 1 141 . 1 1 81 81 TRP H H 1 8.627 0.030 . 1 . . . . 75 TRP H . 11374 1 142 . 1 1 81 81 TRP N N 15 121.002 0.300 . 1 . . . . 75 TRP N . 11374 1 143 . 1 1 82 82 LEU H H 1 8.558 0.030 . 1 . . . . 76 LEU H . 11374 1 144 . 1 1 82 82 LEU N N 15 125.924 0.300 . 1 . . . . 76 LEU N . 11374 1 145 . 1 1 83 83 GLY H H 1 9.317 0.030 . 1 . . . . 77 GLY H . 11374 1 146 . 1 1 83 83 GLY N N 15 115.393 0.300 . 1 . . . . 77 GLY N . 11374 1 147 . 1 1 84 84 GLY H H 1 8.734 0.030 . 1 . . . . 78 GLY H . 11374 1 148 . 1 1 84 84 GLY N N 15 107.802 0.300 . 1 . . . . 78 GLY N . 11374 1 149 . 1 1 85 85 ARG H H 1 7.620 0.030 . 1 . . . . 79 ARG H . 11374 1 150 . 1 1 85 85 ARG N N 15 118.518 0.300 . 1 . . . . 79 ARG N . 11374 1 151 . 1 1 86 86 GLN H H 1 7.801 0.030 . 1 . . . . 80 GLN H . 11374 1 152 . 1 1 86 86 GLN N N 15 121.787 0.300 . 1 . . . . 80 GLN N . 11374 1 153 . 1 1 87 87 ILE H H 1 8.129 0.030 . 1 . . . . 81 ILE H . 11374 1 154 . 1 1 87 87 ILE N N 15 118.085 0.300 . 1 . . . . 81 ILE N . 11374 1 155 . 1 1 88 88 ARG H H 1 7.920 0.030 . 1 . . . . 82 ARG H . 11374 1 156 . 1 1 88 88 ARG N N 15 119.782 0.300 . 1 . . . . 82 ARG N . 11374 1 157 . 1 1 89 89 THR H H 1 8.377 0.030 . 1 . . . . 83 THR H . 11374 1 158 . 1 1 89 89 THR N N 15 110.727 0.300 . 1 . . . . 83 THR N . 11374 1 159 . 1 1 90 90 ASN H H 1 8.687 0.030 . 1 . . . . 84 ASN H . 11374 1 160 . 1 1 90 90 ASN N N 15 115.821 0.300 . 1 . . . . 84 ASN N . 11374 1 161 . 1 1 91 91 TRP H H 1 8.810 0.030 . 1 . . . . 85 TRP H . 11374 1 162 . 1 1 91 91 TRP N N 15 122.277 0.300 . 1 . . . . 85 TRP N . 11374 1 163 . 1 1 92 92 ALA H H 1 8.988 0.030 . 1 . . . . 86 ALA H . 11374 1 164 . 1 1 92 92 ALA N N 15 126.787 0.300 . 1 . . . . 86 ALA N . 11374 1 165 . 1 1 93 93 THR H H 1 8.563 0.030 . 1 . . . . 87 THR H . 11374 1 166 . 1 1 93 93 THR N N 15 114.859 0.300 . 1 . . . . 87 THR N . 11374 1 167 . 1 1 94 94 ARG H H 1 8.360 0.030 . 1 . . . . 88 ARG H . 11374 1 168 . 1 1 94 94 ARG N N 15 123.611 0.300 . 1 . . . . 88 ARG N . 11374 1 169 . 1 1 95 95 LYS H H 1 8.229 0.030 . 1 . . . . 89 LYS H . 11374 1 170 . 1 1 95 95 LYS N N 15 123.713 0.300 . 1 . . . . 89 LYS N . 11374 1 171 . 1 1 98 98 ALA H H 1 8.290 0.030 . 1 . . . . 92 ALA H . 11374 1 172 . 1 1 98 98 ALA N N 15 125.533 0.300 . 1 . . . . 92 ALA N . 11374 1 173 . 1 1 100 100 LYS H H 1 8.414 0.030 . 1 . . . . 94 LYS H . 11374 1 174 . 1 1 100 100 LYS N N 15 121.743 0.300 . 1 . . . . 94 LYS N . 11374 1 175 . 1 1 101 101 SER H H 1 8.364 0.030 . 1 . . . . 95 SER H . 11374 1 176 . 1 1 101 101 SER N N 15 117.060 0.300 . 1 . . . . 95 SER N . 11374 1 177 . 1 1 102 102 THR H H 1 8.133 0.030 . 1 . . . . 96 THR H . 11374 1 178 . 1 1 102 102 THR N N 15 115.589 0.300 . 1 . . . . 96 THR N . 11374 1 179 . 1 1 103 103 TYR H H 1 8.123 0.030 . 1 . . . . 97 TYR H . 11374 1 180 . 1 1 103 103 TYR N N 15 121.852 0.300 . 1 . . . . 97 TYR N . 11374 1 181 . 1 1 104 104 GLU H H 1 8.220 0.030 . 1 . . . . 98 GLU H . 11374 1 182 . 1 1 104 104 GLU N N 15 122.672 0.300 . 1 . . . . 98 GLU N . 11374 1 183 . 1 1 105 105 SER H H 1 8.279 0.030 . 1 . . . . 99 SER H . 11374 1 184 . 1 1 105 105 SER N N 15 116.780 0.300 . 1 . . . . 99 SER N . 11374 1 185 . 1 1 106 106 ASN H H 1 8.476 0.030 . 1 . . . . 100 ASN H . 11374 1 186 . 1 1 106 106 ASN N N 15 120.902 0.300 . 1 . . . . 100 ASN N . 11374 1 187 . 1 1 107 107 THR H H 1 8.065 0.030 . 1 . . . . 101 THR H . 11374 1 188 . 1 1 107 107 THR N N 15 114.288 0.300 . 1 . . . . 101 THR N . 11374 1 189 . 1 1 108 108 LYS H H 1 8.279 0.030 . 1 . . . . 102 LYS H . 11374 1 190 . 1 1 108 108 LYS N N 15 124.426 0.300 . 1 . . . . 102 LYS N . 11374 1 191 . 1 1 109 109 GLN H H 1 8.013 0.030 . 1 . . . . 103 GLN H . 11374 1 192 . 1 1 109 109 GLN N N 15 127.272 0.300 . 1 . . . . 103 GLN N . 11374 1 stop_ save_