data_11412 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11412 _Entry.Title ; Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (UCAAU) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _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 K. Tsuda . . . 11412 2 K. Kuwasako . . . 11412 3 M. Takahashi . . . 11412 4 T. Someya . . . 11412 5 M. Inoue . . . 11412 6 T. Kigawa . . . 11412 7 T. Terada . . . 11412 8 M. Shirouzu . . . 11412 9 S. Sugano . . . 11412 10 Y. Muto . . . 11412 11 S. Yokoyama . . . 11412 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)' . 11412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 78 11412 '1H chemical shifts' 78 11412 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 . . 2011-09-08 2010-09-09 original author . 11412 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11409 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)' 11412 BMRB 11410 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (GACUUCAACAAGUC)' 11412 BMRB 11411 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (AAAAAA)' 11412 PDB 2rra 'Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)' 11412 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11412 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 K. Tsuda . . . 11412 1 2 K. Kuwasako . . . 11412 1 3 T. Someya . . . 11412 1 4 M. Takahashi . . . 11412 1 5 F. He . . . 11412 1 6 M. Inoue . . . 11412 1 7 T. Harada . . . 11412 1 8 S. Watanabe . . . 11412 1 9 T. Terada . . . 11412 1 10 N. Kobayashi . . . 11412 1 11 M. Shirouzu . . . 11412 1 12 T. Kigawa . . . 11412 1 13 A. Tanaka . . . 11412 1 14 S. Sugano . . . 11412 1 15 P. Guntert . . . 11412 1 16 S. Yokoyama . . . 11412 1 17 Y. Muto . . . 11412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11412 _Assembly.ID 1 _Assembly.Name ; cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene ; _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 'RNA recognition motif' 1 $entity_1 A . yes native no no . . . 11412 1 2 RNA 2 $entity_2 B . no native no no . . . 11412 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 2rra . . . . . . 11412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11412 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA recognition motif' _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 ; GSSGSSGNRANPDPNCCLGV FGLSLYTTERDLREVFSKYG PIADVSIVYDQQSRRSRGFA FVYFENVDDAKEAKERANGM ELDGRRIRVDFSITKRPHT ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 11400 . "RNA recognition motif" . . . . . 89.90 95 100.00 100.00 9.37e-57 . . . . 11412 1 2 no BMRB 11409 . "RNA recognition motif" . . . . . 100.00 99 100.00 100.00 2.94e-65 . . . . 11412 1 3 no BMRB 11410 . "RNA recognition motif" . . . . . 100.00 99 100.00 100.00 2.94e-65 . . . . 11412 1 4 no BMRB 11411 . "RNA recognition motif" . . . . . 100.00 99 100.00 100.00 2.94e-65 . . . . 11412 1 5 no BMRB 16920 . Tra2beta1 . . . . . 92.93 95 100.00 100.00 2.61e-60 . . . . 11412 1 6 no PDB 2CQC . "Solution Structure Of The Rna Recognition Motif In ArginineSERINE-Rich Splicing Factor 10" . . . . . 89.90 95 100.00 100.00 9.37e-57 . . . . 11412 1 7 no PDB 2KXN . "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" . . . . . 92.93 129 100.00 100.00 3.51e-61 . . . . 11412 1 8 no PDB 2RRA . "Solution Structure Of Rna Binding Domain In Human Tra2 Beta Protein In Complex With Rna (Gaagaa)" . . . . . 100.00 99 100.00 100.00 2.94e-65 . . . . 11412 1 9 no DBJ BAA08556 . "RNA binding protein (transformer-2-like) [Rattus norvegicus]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 10 no DBJ BAC05256 . "unnamed protein product [Homo sapiens]" . . . . . 93.94 252 100.00 100.00 1.66e-60 . . . . 11412 1 11 no DBJ BAC33819 . "unnamed protein product [Mus musculus]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 12 no DBJ BAD92445 . "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" . . . . . 93.94 278 100.00 100.00 8.95e-61 . . . . 11412 1 13 no DBJ BAE88784 . "unnamed protein product [Macaca fascicularis]" . . . . . 93.94 288 100.00 100.00 8.56e-61 . . . . 11412 1 14 no EMBL CAA56518 . "SIG41 [Mus musculus]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 15 no EMBL CAH18071 . "hypothetical protein [Homo sapiens]" . . . . . 93.94 276 100.00 100.00 5.85e-61 . . . . 11412 1 16 no EMBL CAH90742 . "hypothetical protein [Pongo abelii]" . . . . . 93.94 288 98.92 98.92 7.58e-60 . . . . 11412 1 17 no GB AAB08701 . "transformer-2 beta [Homo sapiens]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 18 no GB AAC28242 . "htra2-beta [Homo sapiens]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 19 no GB AAD19277 . "transformer-2-beta isoform 1 [Homo sapiens]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 20 no GB AAD19278 . "transformer-2-beta isoform 3 [Homo sapiens]" . . . . . 93.94 188 100.00 100.00 5.01e-60 . . . . 11412 1 21 no GB AAG35783 . "transformer-2 beta [Gallus gallus]" . . . . . 93.94 289 98.92 100.00 3.58e-60 . . . . 11412 1 22 no REF NP_001006878 . "transformer-2 protein homolog beta [Xenopus (Silurana) tropicalis]" . . . . . 93.94 293 97.85 100.00 3.67e-60 . . . . 11412 1 23 no REF NP_001029948 . "transformer-2 protein homolog beta [Bos taurus]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 24 no REF NP_001070689 . "transformer-2 protein homolog beta [Sus scrofa]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 25 no REF NP_001125414 . "transformer-2 protein homolog beta [Pongo abelii]" . . . . . 93.94 288 98.92 98.92 7.58e-60 . . . . 11412 1 26 no REF NP_001230808 . "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" . . . . . 93.94 188 100.00 100.00 5.01e-60 . . . . 11412 1 27 no SP P62995 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 28 no SP P62996 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 29 no SP P62997 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 30 no SP Q3ZBT6 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 31 no TPG DAA33375 . "TPA: transformer-2 protein homolog beta [Bos taurus]" . . . . . 93.94 288 100.00 100.00 5.93e-61 . . . . 11412 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA recognition motif' . 11412 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 . 11412 1 2 . SER . 11412 1 3 . SER . 11412 1 4 . GLY . 11412 1 5 . SER . 11412 1 6 . SER . 11412 1 7 . GLY . 11412 1 8 . ASN . 11412 1 9 . ARG . 11412 1 10 . ALA . 11412 1 11 . ASN . 11412 1 12 . PRO . 11412 1 13 . ASP . 11412 1 14 . PRO . 11412 1 15 . ASN . 11412 1 16 . CYS . 11412 1 17 . CYS . 11412 1 18 . LEU . 11412 1 19 . GLY . 11412 1 20 . VAL . 11412 1 21 . PHE . 11412 1 22 . GLY . 11412 1 23 . LEU . 11412 1 24 . SER . 11412 1 25 . LEU . 11412 1 26 . TYR . 11412 1 27 . THR . 11412 1 28 . THR . 11412 1 29 . GLU . 11412 1 30 . ARG . 11412 1 31 . ASP . 11412 1 32 . LEU . 11412 1 33 . ARG . 11412 1 34 . GLU . 11412 1 35 . VAL . 11412 1 36 . PHE . 11412 1 37 . SER . 11412 1 38 . LYS . 11412 1 39 . TYR . 11412 1 40 . GLY . 11412 1 41 . PRO . 11412 1 42 . ILE . 11412 1 43 . ALA . 11412 1 44 . ASP . 11412 1 45 . VAL . 11412 1 46 . SER . 11412 1 47 . ILE . 11412 1 48 . VAL . 11412 1 49 . TYR . 11412 1 50 . ASP . 11412 1 51 . GLN . 11412 1 52 . GLN . 11412 1 53 . SER . 11412 1 54 . ARG . 11412 1 55 . ARG . 11412 1 56 . SER . 11412 1 57 . ARG . 11412 1 58 . GLY . 11412 1 59 . PHE . 11412 1 60 . ALA . 11412 1 61 . PHE . 11412 1 62 . VAL . 11412 1 63 . TYR . 11412 1 64 . PHE . 11412 1 65 . GLU . 11412 1 66 . ASN . 11412 1 67 . VAL . 11412 1 68 . ASP . 11412 1 69 . ASP . 11412 1 70 . ALA . 11412 1 71 . LYS . 11412 1 72 . GLU . 11412 1 73 . ALA . 11412 1 74 . LYS . 11412 1 75 . GLU . 11412 1 76 . ARG . 11412 1 77 . ALA . 11412 1 78 . ASN . 11412 1 79 . GLY . 11412 1 80 . MET . 11412 1 81 . GLU . 11412 1 82 . LEU . 11412 1 83 . ASP . 11412 1 84 . GLY . 11412 1 85 . ARG . 11412 1 86 . ARG . 11412 1 87 . ILE . 11412 1 88 . ARG . 11412 1 89 . VAL . 11412 1 90 . ASP . 11412 1 91 . PHE . 11412 1 92 . SER . 11412 1 93 . ILE . 11412 1 94 . THR . 11412 1 95 . LYS . 11412 1 96 . ARG . 11412 1 97 . PRO . 11412 1 98 . HIS . 11412 1 99 . THR . 11412 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 11412 1 . SER 2 2 11412 1 . SER 3 3 11412 1 . GLY 4 4 11412 1 . SER 5 5 11412 1 . SER 6 6 11412 1 . GLY 7 7 11412 1 . ASN 8 8 11412 1 . ARG 9 9 11412 1 . ALA 10 10 11412 1 . ASN 11 11 11412 1 . PRO 12 12 11412 1 . ASP 13 13 11412 1 . PRO 14 14 11412 1 . ASN 15 15 11412 1 . CYS 16 16 11412 1 . CYS 17 17 11412 1 . LEU 18 18 11412 1 . GLY 19 19 11412 1 . VAL 20 20 11412 1 . PHE 21 21 11412 1 . GLY 22 22 11412 1 . LEU 23 23 11412 1 . SER 24 24 11412 1 . LEU 25 25 11412 1 . TYR 26 26 11412 1 . THR 27 27 11412 1 . THR 28 28 11412 1 . GLU 29 29 11412 1 . ARG 30 30 11412 1 . ASP 31 31 11412 1 . LEU 32 32 11412 1 . ARG 33 33 11412 1 . GLU 34 34 11412 1 . VAL 35 35 11412 1 . PHE 36 36 11412 1 . SER 37 37 11412 1 . LYS 38 38 11412 1 . TYR 39 39 11412 1 . GLY 40 40 11412 1 . PRO 41 41 11412 1 . ILE 42 42 11412 1 . ALA 43 43 11412 1 . ASP 44 44 11412 1 . VAL 45 45 11412 1 . SER 46 46 11412 1 . ILE 47 47 11412 1 . VAL 48 48 11412 1 . TYR 49 49 11412 1 . ASP 50 50 11412 1 . GLN 51 51 11412 1 . GLN 52 52 11412 1 . SER 53 53 11412 1 . ARG 54 54 11412 1 . ARG 55 55 11412 1 . SER 56 56 11412 1 . ARG 57 57 11412 1 . GLY 58 58 11412 1 . PHE 59 59 11412 1 . ALA 60 60 11412 1 . PHE 61 61 11412 1 . VAL 62 62 11412 1 . TYR 63 63 11412 1 . PHE 64 64 11412 1 . GLU 65 65 11412 1 . ASN 66 66 11412 1 . VAL 67 67 11412 1 . ASP 68 68 11412 1 . ASP 69 69 11412 1 . ALA 70 70 11412 1 . LYS 71 71 11412 1 . GLU 72 72 11412 1 . ALA 73 73 11412 1 . LYS 74 74 11412 1 . GLU 75 75 11412 1 . ARG 76 76 11412 1 . ALA 77 77 11412 1 . ASN 78 78 11412 1 . GLY 79 79 11412 1 . MET 80 80 11412 1 . GLU 81 81 11412 1 . LEU 82 82 11412 1 . ASP 83 83 11412 1 . GLY 84 84 11412 1 . ARG 85 85 11412 1 . ARG 86 86 11412 1 . ILE 87 87 11412 1 . ARG 88 88 11412 1 . VAL 89 89 11412 1 . ASP 90 90 11412 1 . PHE 91 91 11412 1 . SER 92 92 11412 1 . ILE 93 93 11412 1 . THR 94 94 11412 1 . LYS 95 95 11412 1 . ARG 96 96 11412 1 . PRO 97 97 11412 1 . HIS 98 98 11412 1 . THR 99 99 11412 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11412 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA _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 UCAAU _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 6 _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 . U . 11412 2 2 . C . 11412 2 3 . A . 11412 2 4 . A . 11412 2 5 . U . 11412 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 . U 1 1 11412 2 . C 2 2 11412 2 . A 3 3 11412 2 . A 4 4 11412 2 . U 5 5 11412 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 11412 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11412 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 11412 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040517-05 . . . . . . 11412 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11412 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2mM {[U-100%} {13C;} U-100% 15N\] Human transformer 2 beta-1, 0.2mM RNA, 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 'Human transformer 2 beta-1' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.2 . . mM . . . . 11412 1 2 RNA 'natural abundance' . . 2 $entity_2 . RNA 0.2 . . mM . . . . 11412 1 3 salt . . . . . . salt 100 . . mM . . . . 11412 1 4 H2O . . . . . . solvent 90 . . % . . . . 11412 1 5 D2O . . . . . . solvent 10 . . % . . . . 11412 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 11412 _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 11412 1 pH 7.0 0.05 pH 11412 1 pressure 1 0.001 atm 11412 1 temperature 298 0.1 K 11412 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11412 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm' . . 11412 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11412 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11412 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker, Biospin' . . 11412 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11412 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11412 _Software.ID 3 _Software.Name NMRPipe _Software.Version 20060801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . 11412 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11412 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11412 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One, Moon, Scientific' . . 11412 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11412 4 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11412 _Software.ID 5 _Software.Name Kujira _Software.Version 0.9843 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11412 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11412 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11412 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler, and, Wuthrich' . . 11412 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11412 6 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 11412 _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 11412 _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 . . . 11412 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 11412 _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 . . . . . . . . . . . . . . . . 11412 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11412 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 11412 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11412 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11412 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 11412 _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 11412 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11412 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 $AMBER . . 11412 1 2 $xwinnmr . . 11412 1 3 $NMRPipe . . 11412 1 4 $NMRView . . 11412 1 5 $Kujira . . 11412 1 6 $CYANA . . 11412 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 8 8 ASN H H 1 8.221 0.030 . 1 . . . . 8 ASN H . 11412 1 2 . 1 1 8 8 ASN N N 15 118.814 0.300 . 1 . . . . 8 ASN N . 11412 1 3 . 1 1 9 9 ARG H H 1 8.252 0.030 . 1 . . . . 9 ARG H . 11412 1 4 . 1 1 9 9 ARG N N 15 121.228 0.300 . 1 . . . . 9 ARG N . 11412 1 5 . 1 1 10 10 ALA H H 1 8.132 0.030 . 1 . . . . 10 ALA H . 11412 1 6 . 1 1 10 10 ALA N N 15 123.809 0.300 . 1 . . . . 10 ALA N . 11412 1 7 . 1 1 11 11 ASN H H 1 8.297 0.030 . 1 . . . . 11 ASN H . 11412 1 8 . 1 1 11 11 ASN N N 15 118.438 0.300 . 1 . . . . 11 ASN N . 11412 1 9 . 1 1 13 13 ASP H H 1 8.380 0.030 . 1 . . . . 13 ASP H . 11412 1 10 . 1 1 13 13 ASP N N 15 122.522 0.300 . 1 . . . . 13 ASP N . 11412 1 11 . 1 1 18 18 LEU H H 1 9.293 0.030 . 1 . . . . 18 LEU H . 11412 1 12 . 1 1 18 18 LEU N N 15 128.294 0.300 . 1 . . . . 18 LEU N . 11412 1 13 . 1 1 19 19 GLY H H 1 9.063 0.030 . 1 . . . . 19 GLY H . 11412 1 14 . 1 1 19 19 GLY N N 15 109.204 0.300 . 1 . . . . 19 GLY N . 11412 1 15 . 1 1 21 21 PHE H H 1 9.301 0.030 . 1 . . . . 21 PHE H . 11412 1 16 . 1 1 21 21 PHE N N 15 122.283 0.300 . 1 . . . . 21 PHE N . 11412 1 17 . 1 1 22 22 GLY H H 1 8.627 0.030 . 1 . . . . 22 GLY H . 11412 1 18 . 1 1 22 22 GLY N N 15 108.795 0.300 . 1 . . . . 22 GLY N . 11412 1 19 . 1 1 23 23 LEU H H 1 7.869 0.030 . 1 . . . . 23 LEU H . 11412 1 20 . 1 1 23 23 LEU N N 15 116.375 0.300 . 1 . . . . 23 LEU N . 11412 1 21 . 1 1 24 24 SER H H 1 9.341 0.030 . 1 . . . . 24 SER H . 11412 1 22 . 1 1 24 24 SER N N 15 115.235 0.300 . 1 . . . . 24 SER N . 11412 1 23 . 1 1 25 25 LEU H H 1 8.859 0.030 . 1 . . . . 25 LEU H . 11412 1 24 . 1 1 25 25 LEU N N 15 125.170 0.300 . 1 . . . . 25 LEU N . 11412 1 25 . 1 1 26 26 TYR H H 1 7.720 0.030 . 1 . . . . 26 TYR H . 11412 1 26 . 1 1 26 26 TYR N N 15 114.789 0.300 . 1 . . . . 26 TYR N . 11412 1 27 . 1 1 27 27 THR H H 1 7.076 0.030 . 1 . . . . 27 THR H . 11412 1 28 . 1 1 27 27 THR N N 15 119.514 0.300 . 1 . . . . 27 THR N . 11412 1 29 . 1 1 28 28 THR H H 1 9.216 0.030 . 1 . . . . 28 THR H . 11412 1 30 . 1 1 28 28 THR N N 15 119.992 0.300 . 1 . . . . 28 THR N . 11412 1 31 . 1 1 29 29 GLU H H 1 9.480 0.030 . 1 . . . . 29 GLU H . 11412 1 32 . 1 1 29 29 GLU N N 15 121.129 0.300 . 1 . . . . 29 GLU N . 11412 1 33 . 1 1 30 30 ARG H H 1 8.156 0.030 . 1 . . . . 30 ARG H . 11412 1 34 . 1 1 30 30 ARG N N 15 119.441 0.300 . 1 . . . . 30 ARG N . 11412 1 35 . 1 1 31 31 ASP H H 1 7.473 0.030 . 1 . . . . 31 ASP H . 11412 1 36 . 1 1 31 31 ASP N N 15 119.569 0.300 . 1 . . . . 31 ASP N . 11412 1 37 . 1 1 32 32 LEU H H 1 7.691 0.030 . 1 . . . . 32 LEU H . 11412 1 38 . 1 1 32 32 LEU N N 15 117.331 0.300 . 1 . . . . 32 LEU N . 11412 1 39 . 1 1 33 33 ARG H H 1 8.708 0.030 . 1 . . . . 33 ARG H . 11412 1 40 . 1 1 33 33 ARG N N 15 120.056 0.300 . 1 . . . . 33 ARG N . 11412 1 41 . 1 1 34 34 GLU H H 1 8.131 0.030 . 1 . . . . 34 GLU H . 11412 1 42 . 1 1 34 34 GLU N N 15 119.796 0.300 . 1 . . . . 34 GLU N . 11412 1 43 . 1 1 35 35 VAL H H 1 7.515 0.030 . 1 . . . . 35 VAL H . 11412 1 44 . 1 1 35 35 VAL N N 15 116.599 0.300 . 1 . . . . 35 VAL N . 11412 1 45 . 1 1 36 36 PHE H H 1 8.451 0.030 . 1 . . . . 36 PHE H . 11412 1 46 . 1 1 36 36 PHE N N 15 114.439 0.300 . 1 . . . . 36 PHE N . 11412 1 47 . 1 1 37 37 SER H H 1 8.393 0.030 . 1 . . . . 37 SER H . 11412 1 48 . 1 1 37 37 SER N N 15 115.078 0.300 . 1 . . . . 37 SER N . 11412 1 49 . 1 1 38 38 LYS H H 1 6.900 0.030 . 1 . . . . 38 LYS H . 11412 1 50 . 1 1 38 38 LYS N N 15 119.243 0.300 . 1 . . . . 38 LYS N . 11412 1 51 . 1 1 39 39 TYR H H 1 7.599 0.030 . 1 . . . . 39 TYR H . 11412 1 52 . 1 1 39 39 TYR N N 15 116.375 0.300 . 1 . . . . 39 TYR N . 11412 1 53 . 1 1 40 40 GLY H H 1 7.310 0.030 . 1 . . . . 40 GLY H . 11412 1 54 . 1 1 40 40 GLY N N 15 106.406 0.300 . 1 . . . . 40 GLY N . 11412 1 55 . 1 1 42 42 ILE H H 1 8.465 0.030 . 1 . . . . 42 ILE H . 11412 1 56 . 1 1 42 42 ILE N N 15 124.051 0.300 . 1 . . . . 42 ILE N . 11412 1 57 . 1 1 43 43 ALA H H 1 9.121 0.030 . 1 . . . . 43 ALA H . 11412 1 58 . 1 1 43 43 ALA N N 15 131.138 0.300 . 1 . . . . 43 ALA N . 11412 1 59 . 1 1 44 44 ASP H H 1 7.604 0.030 . 1 . . . . 44 ASP H . 11412 1 60 . 1 1 44 44 ASP N N 15 114.551 0.300 . 1 . . . . 44 ASP N . 11412 1 61 . 1 1 45 45 VAL H H 1 8.194 0.030 . 1 . . . . 45 VAL H . 11412 1 62 . 1 1 45 45 VAL N N 15 120.907 0.300 . 1 . . . . 45 VAL N . 11412 1 63 . 1 1 46 46 SER H H 1 9.041 0.030 . 1 . . . . 46 SER H . 11412 1 64 . 1 1 46 46 SER N N 15 121.272 0.300 . 1 . . . . 46 SER N . 11412 1 65 . 1 1 47 47 ILE H H 1 8.890 0.030 . 1 . . . . 47 ILE H . 11412 1 66 . 1 1 47 47 ILE N N 15 127.941 0.300 . 1 . . . . 47 ILE N . 11412 1 67 . 1 1 48 48 VAL H H 1 7.440 0.030 . 1 . . . . 48 VAL H . 11412 1 68 . 1 1 48 48 VAL N N 15 127.123 0.300 . 1 . . . . 48 VAL N . 11412 1 69 . 1 1 49 49 TYR H H 1 8.439 0.030 . 1 . . . . 49 TYR H . 11412 1 70 . 1 1 49 49 TYR N N 15 125.464 0.300 . 1 . . . . 49 TYR N . 11412 1 71 . 1 1 50 50 ASP H H 1 8.926 0.030 . 1 . . . . 50 ASP H . 11412 1 72 . 1 1 50 50 ASP N N 15 123.191 0.300 . 1 . . . . 50 ASP N . 11412 1 73 . 1 1 51 51 GLN H H 1 9.071 0.030 . 1 . . . . 51 GLN H . 11412 1 74 . 1 1 51 51 GLN N N 15 126.213 0.300 . 1 . . . . 51 GLN N . 11412 1 75 . 1 1 52 52 GLN H H 1 8.514 0.030 . 1 . . . . 52 GLN H . 11412 1 76 . 1 1 52 52 GLN N N 15 116.956 0.300 . 1 . . . . 52 GLN N . 11412 1 77 . 1 1 53 53 SER H H 1 8.384 0.030 . 1 . . . . 53 SER H . 11412 1 78 . 1 1 53 53 SER N N 15 113.674 0.300 . 1 . . . . 53 SER N . 11412 1 79 . 1 1 54 54 ARG H H 1 8.007 0.030 . 1 . . . . 54 ARG H . 11412 1 80 . 1 1 54 54 ARG N N 15 116.821 0.300 . 1 . . . . 54 ARG N . 11412 1 81 . 1 1 55 55 ARG H H 1 7.739 0.030 . 1 . . . . 55 ARG H . 11412 1 82 . 1 1 55 55 ARG N N 15 117.986 0.300 . 1 . . . . 55 ARG N . 11412 1 83 . 1 1 56 56 SER H H 1 8.824 0.030 . 1 . . . . 56 SER H . 11412 1 84 . 1 1 56 56 SER N N 15 117.042 0.300 . 1 . . . . 56 SER N . 11412 1 85 . 1 1 57 57 ARG H H 1 8.916 0.030 . 1 . . . . 57 ARG H . 11412 1 86 . 1 1 57 57 ARG N N 15 122.260 0.300 . 1 . . . . 57 ARG N . 11412 1 87 . 1 1 58 58 GLY H H 1 9.171 0.030 . 1 . . . . 58 GLY H . 11412 1 88 . 1 1 58 58 GLY N N 15 107.770 0.300 . 1 . . . . 58 GLY N . 11412 1 89 . 1 1 59 59 PHE H H 1 6.896 0.030 . 1 . . . . 59 PHE H . 11412 1 90 . 1 1 59 59 PHE N N 15 112.028 0.300 . 1 . . . . 59 PHE N . 11412 1 91 . 1 1 60 60 ALA H H 1 8.324 0.030 . 1 . . . . 60 ALA H . 11412 1 92 . 1 1 60 60 ALA N N 15 119.687 0.300 . 1 . . . . 60 ALA N . 11412 1 93 . 1 1 61 61 PHE H H 1 8.235 0.030 . 1 . . . . 61 PHE H . 11412 1 94 . 1 1 61 61 PHE N N 15 114.845 0.300 . 1 . . . . 61 PHE N . 11412 1 95 . 1 1 62 62 VAL H H 1 9.060 0.030 . 1 . . . . 62 VAL H . 11412 1 96 . 1 1 62 62 VAL N N 15 123.527 0.300 . 1 . . . . 62 VAL N . 11412 1 97 . 1 1 63 63 TYR H H 1 8.859 0.030 . 1 . . . . 63 TYR H . 11412 1 98 . 1 1 63 63 TYR N N 15 125.170 0.300 . 1 . . . . 63 TYR N . 11412 1 99 . 1 1 64 64 PHE H H 1 9.006 0.030 . 1 . . . . 64 PHE H . 11412 1 100 . 1 1 64 64 PHE N N 15 124.406 0.300 . 1 . . . . 64 PHE N . 11412 1 101 . 1 1 65 65 GLU H H 1 7.973 0.030 . 1 . . . . 65 GLU H . 11412 1 102 . 1 1 65 65 GLU N N 15 118.042 0.300 . 1 . . . . 65 GLU N . 11412 1 103 . 1 1 66 66 ASN H H 1 9.057 0.030 . 1 . . . . 66 ASN H . 11412 1 104 . 1 1 66 66 ASN N N 15 116.021 0.300 . 1 . . . . 66 ASN N . 11412 1 105 . 1 1 67 67 VAL H H 1 8.869 0.030 . 1 . . . . 67 VAL H . 11412 1 106 . 1 1 67 67 VAL N N 15 126.028 0.300 . 1 . . . . 67 VAL N . 11412 1 107 . 1 1 68 68 ASP H H 1 8.390 0.030 . 1 . . . . 68 ASP H . 11412 1 108 . 1 1 68 68 ASP N N 15 121.184 0.300 . 1 . . . . 68 ASP N . 11412 1 109 . 1 1 69 69 ASP H H 1 7.305 0.030 . 1 . . . . 69 ASP H . 11412 1 110 . 1 1 69 69 ASP N N 15 122.175 0.300 . 1 . . . . 69 ASP N . 11412 1 111 . 1 1 70 70 ALA H H 1 6.917 0.030 . 1 . . . . 70 ALA H . 11412 1 112 . 1 1 70 70 ALA N N 15 121.311 0.300 . 1 . . . . 70 ALA N . 11412 1 113 . 1 1 71 71 LYS H H 1 8.052 0.030 . 1 . . . . 71 LYS H . 11412 1 114 . 1 1 71 71 LYS N N 15 116.403 0.300 . 1 . . . . 71 LYS N . 11412 1 115 . 1 1 72 72 GLU H H 1 7.289 0.030 . 1 . . . . 72 GLU H . 11412 1 116 . 1 1 72 72 GLU N N 15 119.984 0.300 . 1 . . . . 72 GLU N . 11412 1 117 . 1 1 73 73 ALA H H 1 7.942 0.030 . 1 . . . . 73 ALA H . 11412 1 118 . 1 1 73 73 ALA N N 15 120.413 0.300 . 1 . . . . 73 ALA N . 11412 1 119 . 1 1 74 74 LYS H H 1 8.085 0.030 . 1 . . . . 74 LYS H . 11412 1 120 . 1 1 74 74 LYS N N 15 117.499 0.300 . 1 . . . . 74 LYS N . 11412 1 121 . 1 1 75 75 GLU H H 1 7.403 0.030 . 1 . . . . 75 GLU H . 11412 1 122 . 1 1 75 75 GLU N N 15 115.351 0.300 . 1 . . . . 75 GLU N . 11412 1 123 . 1 1 76 76 ARG H H 1 8.126 0.030 . 1 . . . . 76 ARG H . 11412 1 124 . 1 1 76 76 ARG N N 15 115.362 0.300 . 1 . . . . 76 ARG N . 11412 1 125 . 1 1 77 77 ALA H H 1 8.734 0.030 . 1 . . . . 77 ALA H . 11412 1 126 . 1 1 77 77 ALA N N 15 119.464 0.300 . 1 . . . . 77 ALA N . 11412 1 127 . 1 1 78 78 ASN H H 1 6.861 0.030 . 1 . . . . 78 ASN H . 11412 1 128 . 1 1 78 78 ASN N N 15 113.520 0.300 . 1 . . . . 78 ASN N . 11412 1 129 . 1 1 79 79 GLY H H 1 8.546 0.030 . 1 . . . . 79 GLY H . 11412 1 130 . 1 1 79 79 GLY N N 15 116.942 0.300 . 1 . . . . 79 GLY N . 11412 1 131 . 1 1 80 80 MET H H 1 7.852 0.030 . 1 . . . . 80 MET H . 11412 1 132 . 1 1 80 80 MET N N 15 120.092 0.300 . 1 . . . . 80 MET N . 11412 1 133 . 1 1 81 81 GLU H H 1 8.346 0.030 . 1 . . . . 81 GLU H . 11412 1 134 . 1 1 81 81 GLU N N 15 121.448 0.300 . 1 . . . . 81 GLU N . 11412 1 135 . 1 1 82 82 LEU H H 1 9.138 0.030 . 1 . . . . 82 LEU H . 11412 1 136 . 1 1 82 82 LEU N N 15 128.114 0.300 . 1 . . . . 82 LEU N . 11412 1 137 . 1 1 83 83 ASP H H 1 9.623 0.030 . 1 . . . . 83 ASP H . 11412 1 138 . 1 1 83 83 ASP N N 15 130.028 0.300 . 1 . . . . 83 ASP N . 11412 1 139 . 1 1 84 84 GLY H H 1 8.632 0.030 . 1 . . . . 84 GLY H . 11412 1 140 . 1 1 84 84 GLY N N 15 102.083 0.300 . 1 . . . . 84 GLY N . 11412 1 141 . 1 1 85 85 ARG H H 1 7.501 0.030 . 1 . . . . 85 ARG H . 11412 1 142 . 1 1 85 85 ARG N N 15 119.520 0.300 . 1 . . . . 85 ARG N . 11412 1 143 . 1 1 86 86 ARG H H 1 8.492 0.030 . 1 . . . . 86 ARG H . 11412 1 144 . 1 1 86 86 ARG N N 15 121.280 0.300 . 1 . . . . 86 ARG N . 11412 1 145 . 1 1 87 87 ILE H H 1 8.403 0.030 . 1 . . . . 87 ILE H . 11412 1 146 . 1 1 87 87 ILE N N 15 122.350 0.300 . 1 . . . . 87 ILE N . 11412 1 147 . 1 1 88 88 ARG H H 1 8.627 0.030 . 1 . . . . 88 ARG H . 11412 1 148 . 1 1 88 88 ARG N N 15 124.322 0.300 . 1 . . . . 88 ARG N . 11412 1 149 . 1 1 89 89 VAL H H 1 8.611 0.030 . 1 . . . . 89 VAL H . 11412 1 150 . 1 1 89 89 VAL N N 15 125.092 0.300 . 1 . . . . 89 VAL N . 11412 1 151 . 1 1 90 90 ASP H H 1 8.970 0.030 . 1 . . . . 90 ASP H . 11412 1 152 . 1 1 90 90 ASP N N 15 124.674 0.300 . 1 . . . . 90 ASP N . 11412 1 153 . 1 1 91 91 PHE H H 1 8.921 0.030 . 1 . . . . 91 PHE H . 11412 1 154 . 1 1 91 91 PHE N N 15 120.736 0.300 . 1 . . . . 91 PHE N . 11412 1 155 . 1 1 96 96 ARG H H 1 8.189 0.030 . 1 . . . . 96 ARG H . 11412 1 156 . 1 1 96 96 ARG N N 15 122.553 0.300 . 1 . . . . 96 ARG N . 11412 1 stop_ save_