data_11407 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11407 _Entry.Title ; Assigned chemical shifts of RNA binding domain 3 in RNA (UAUAUA) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-06-24 _Entry.Original_release_date 2011-06-24 _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 . . . 11407 2 K. Kuwasako . . . 11407 3 M. Takahashi . . . 11407 4 T. Someya . . . 11407 5 M. Inoue . . . 11407 6 T. Terada . . . 11407 7 N. Kobayashi . . . 11407 8 M. Shirouzu . . . 11407 9 T. Kigawa . . . 11407 10 P. Guntert . . . 11407 11 Y. Muto . . . 11407 12 S. Yokoyama . . . 11407 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)' . 11407 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11407 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 100 11407 '1H chemical shifts' 100 11407 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 . . 2011-06-24 2010-09-09 original author . 11407 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11405 'Assigned chemical shifts of RNA binding domain 3' 11407 BMRB 11406 'Assigned chemical shifts of RNA binding domain 3 in RNA (CUGCUG)' 11407 BMRB 11408 'Assigned chemical shifts of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3' 11407 PDB 2rq4 'Refinement of RNA binding domain 3 in CUG triplet repeat RNA-binding protein 1' 11407 PDB 2rqc 'Solution Structure of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3' 11407 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11407 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19553194 _Citation.Full_citation . _Citation.Title 'Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 37 _Citation.Journal_issue 15 _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 5151 _Citation.Page_last 5166 _Citation.Year 2009 _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 Kengo Tsuda . . . 11407 1 2 Kanako Kuwasako . . . 11407 1 3 Mari Takahashi . . . 11407 1 4 Tatsuhiko Someya . . . 11407 1 5 Makoto Inoue . . . 11407 1 6 Takaho Terada . . . 11407 1 7 Naohiro Kobayashi . . . 11407 1 8 Mikako Shirouzu . . . 11407 1 9 Takanori Kigawa . . . 11407 1 10 Akiko Tanaka . . . 11407 1 11 Sumio Sugano . . . 11407 1 12 Peter Guntert . . . 11407 1 13 Yutaka Muto . . . 11407 1 14 Shigeyuki Yokoyama . . . 11407 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11407 _Assembly.ID 1 _Assembly.Name 'CUG-BP- and ETR-3-like factor 1' _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 . . . 11407 1 2 'RNA (UAUAUA)' 2 $entity_2 B . no native no no . . . 11407 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 2rq4 . . . . . . 11407 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11407 _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 ; GSSGSSGLTQQSIGAAGSQK EGPEGANLFIYHLPQEFGDQ DLLQMFMPFGNVVSAKVFID KQTNLSKCFGFVSYDNPVSA QAAIQSMNGFQIGMKRLKVQ LKRSKNDSKSGPSSG ; _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 '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 11405 . "RNA recognition motif" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11407 1 2 no BMRB 11406 . "RNA recognition motif" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11407 1 3 no BMRB 11408 . "RNA RECOGNITION MOTIF, RESIDUES 383-484" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11407 1 4 no PDB 2CPZ . "Solution Structure Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11407 1 5 no PDB 2RQ4 . "Refinement Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11407 1 6 no PDB 2RQC . "Solution Structure Of Rna-Binding Domain 3 Of Cugbp1 In Complex With Rna (Ug)3" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11407 1 7 no DBJ BAB29392 . "unnamed protein product [Mus musculus]" . . . . . 88.70 487 100.00 100.00 5.53e-64 . . . . 11407 1 8 no DBJ BAE06101 . "CUGBP1 variant protein [Homo sapiens]" . . . . . 88.70 512 100.00 100.00 1.06e-63 . . . . 11407 1 9 no DBJ BAE22391 . "unnamed protein product [Mus musculus]" . . . . . 74.78 88 100.00 100.00 5.58e-55 . . . . 11407 1 10 no DBJ BAE25504 . "unnamed protein product [Mus musculus]" . . . . . 88.70 486 99.02 100.00 2.29e-63 . . . . 11407 1 11 no DBJ BAE33820 . "unnamed protein product [Mus musculus]" . . . . . 88.70 486 99.02 99.02 9.21e-63 . . . . 11407 1 12 no EMBL CAC20566 . "deadenylation factor CUG-BP [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11407 1 13 no EMBL CAC20707 . "deadenylation factor EDEN-BP [Mus musculus]" . . . . . 88.70 486 100.00 100.00 6.15e-64 . . . . 11407 1 14 no EMBL CAH65197 . "hypothetical protein RCJMB04_7f23 [Gallus gallus]" . . . . . 88.70 485 100.00 100.00 7.13e-64 . . . . 11407 1 15 no EMBL CAH91665 . "hypothetical protein [Pongo abelii]" . . . . . 88.70 513 100.00 100.00 9.79e-64 . . . . 11407 1 16 no EMBL CAJ82289 . "CUG triplet repeat, RNA binding protein 1 [Xenopus (Silurana) tropicalis]" . . . . . 88.70 490 97.06 99.02 3.46e-62 . . . . 11407 1 17 no GB AAC50895 . "CUG-BP/hNab50 [Homo sapiens]" . . . . . 88.70 482 100.00 100.00 5.41e-64 . . . . 11407 1 18 no GB AAF78955 . "CUG-binding protein LYLQ isoform [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11407 1 19 no GB AAF78956 . "CUG-binding protein A isoform [Homo sapiens]" . . . . . 88.70 483 100.00 100.00 5.53e-64 . . . . 11407 1 20 no GB AAF78957 . "CUG-binding protein LYLQ isoform [Mus musculus]" . . . . . 88.70 486 100.00 100.00 4.67e-64 . . . . 11407 1 21 no GB AAF86230 . "RNA-binding protein BRUNOL2 [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11407 1 22 no REF NP_001012539 . "CUGBP Elav-like family member 1 [Gallus gallus]" . . . . . 88.70 485 100.00 100.00 7.13e-64 . . . . 11407 1 23 no REF NP_001017152 . "CUGBP Elav-like family member 1 [Xenopus (Silurana) tropicalis]" . . . . . 88.70 490 97.06 99.02 3.46e-62 . . . . 11407 1 24 no REF NP_001020592 . "CUGBP Elav-like family member 1 [Rattus norvegicus]" . . . . . 88.70 487 100.00 100.00 5.36e-64 . . . . 11407 1 25 no REF NP_001020767 . "CUGBP Elav-like family member 1 isoform 3 [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11407 1 26 no REF NP_001094682 . "CUGBP Elav-like family member 1 [Bos taurus]" . . . . . 88.70 486 99.02 99.02 2.63e-63 . . . . 11407 1 27 no SP P28659 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=50 kDa nuclear polyadenylated RNA-binding protein; A" . . . . . 88.70 486 100.00 100.00 6.15e-64 . . . . 11407 1 28 no SP Q28HE9 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 490 97.06 99.02 3.46e-62 . . . . 11407 1 29 no SP Q4QQT3 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 487 100.00 100.00 5.36e-64 . . . . 11407 1 30 no SP Q5F3T7 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 489 100.00 100.00 7.37e-64 . . . . 11407 1 31 no SP Q5R995 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 513 100.00 100.00 9.79e-64 . . . . 11407 1 32 no TPG DAA21780 . "TPA: CUG triplet repeat, RNA-binding protein 1 [Bos taurus]" . . . . . 88.70 486 99.02 99.02 2.63e-63 . . . . 11407 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA recognition motif' . 11407 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 . 11407 1 2 . SER . 11407 1 3 . SER . 11407 1 4 . GLY . 11407 1 5 . SER . 11407 1 6 . SER . 11407 1 7 . GLY . 11407 1 8 . LEU . 11407 1 9 . THR . 11407 1 10 . GLN . 11407 1 11 . GLN . 11407 1 12 . SER . 11407 1 13 . ILE . 11407 1 14 . GLY . 11407 1 15 . ALA . 11407 1 16 . ALA . 11407 1 17 . GLY . 11407 1 18 . SER . 11407 1 19 . GLN . 11407 1 20 . LYS . 11407 1 21 . GLU . 11407 1 22 . GLY . 11407 1 23 . PRO . 11407 1 24 . GLU . 11407 1 25 . GLY . 11407 1 26 . ALA . 11407 1 27 . ASN . 11407 1 28 . LEU . 11407 1 29 . PHE . 11407 1 30 . ILE . 11407 1 31 . TYR . 11407 1 32 . HIS . 11407 1 33 . LEU . 11407 1 34 . PRO . 11407 1 35 . GLN . 11407 1 36 . GLU . 11407 1 37 . PHE . 11407 1 38 . GLY . 11407 1 39 . ASP . 11407 1 40 . GLN . 11407 1 41 . ASP . 11407 1 42 . LEU . 11407 1 43 . LEU . 11407 1 44 . GLN . 11407 1 45 . MET . 11407 1 46 . PHE . 11407 1 47 . MET . 11407 1 48 . PRO . 11407 1 49 . PHE . 11407 1 50 . GLY . 11407 1 51 . ASN . 11407 1 52 . VAL . 11407 1 53 . VAL . 11407 1 54 . SER . 11407 1 55 . ALA . 11407 1 56 . LYS . 11407 1 57 . VAL . 11407 1 58 . PHE . 11407 1 59 . ILE . 11407 1 60 . ASP . 11407 1 61 . LYS . 11407 1 62 . GLN . 11407 1 63 . THR . 11407 1 64 . ASN . 11407 1 65 . LEU . 11407 1 66 . SER . 11407 1 67 . LYS . 11407 1 68 . CYS . 11407 1 69 . PHE . 11407 1 70 . GLY . 11407 1 71 . PHE . 11407 1 72 . VAL . 11407 1 73 . SER . 11407 1 74 . TYR . 11407 1 75 . ASP . 11407 1 76 . ASN . 11407 1 77 . PRO . 11407 1 78 . VAL . 11407 1 79 . SER . 11407 1 80 . ALA . 11407 1 81 . GLN . 11407 1 82 . ALA . 11407 1 83 . ALA . 11407 1 84 . ILE . 11407 1 85 . GLN . 11407 1 86 . SER . 11407 1 87 . MET . 11407 1 88 . ASN . 11407 1 89 . GLY . 11407 1 90 . PHE . 11407 1 91 . GLN . 11407 1 92 . ILE . 11407 1 93 . GLY . 11407 1 94 . MET . 11407 1 95 . LYS . 11407 1 96 . ARG . 11407 1 97 . LEU . 11407 1 98 . LYS . 11407 1 99 . VAL . 11407 1 100 . GLN . 11407 1 101 . LEU . 11407 1 102 . LYS . 11407 1 103 . ARG . 11407 1 104 . SER . 11407 1 105 . LYS . 11407 1 106 . ASN . 11407 1 107 . ASP . 11407 1 108 . SER . 11407 1 109 . LYS . 11407 1 110 . SER . 11407 1 111 . GLY . 11407 1 112 . PRO . 11407 1 113 . SER . 11407 1 114 . SER . 11407 1 115 . GLY . 11407 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 11407 1 . SER 2 2 11407 1 . SER 3 3 11407 1 . GLY 4 4 11407 1 . SER 5 5 11407 1 . SER 6 6 11407 1 . GLY 7 7 11407 1 . LEU 8 8 11407 1 . THR 9 9 11407 1 . GLN 10 10 11407 1 . GLN 11 11 11407 1 . SER 12 12 11407 1 . ILE 13 13 11407 1 . GLY 14 14 11407 1 . ALA 15 15 11407 1 . ALA 16 16 11407 1 . GLY 17 17 11407 1 . SER 18 18 11407 1 . GLN 19 19 11407 1 . LYS 20 20 11407 1 . GLU 21 21 11407 1 . GLY 22 22 11407 1 . PRO 23 23 11407 1 . GLU 24 24 11407 1 . GLY 25 25 11407 1 . ALA 26 26 11407 1 . ASN 27 27 11407 1 . LEU 28 28 11407 1 . PHE 29 29 11407 1 . ILE 30 30 11407 1 . TYR 31 31 11407 1 . HIS 32 32 11407 1 . LEU 33 33 11407 1 . PRO 34 34 11407 1 . GLN 35 35 11407 1 . GLU 36 36 11407 1 . PHE 37 37 11407 1 . GLY 38 38 11407 1 . ASP 39 39 11407 1 . GLN 40 40 11407 1 . ASP 41 41 11407 1 . LEU 42 42 11407 1 . LEU 43 43 11407 1 . GLN 44 44 11407 1 . MET 45 45 11407 1 . PHE 46 46 11407 1 . MET 47 47 11407 1 . PRO 48 48 11407 1 . PHE 49 49 11407 1 . GLY 50 50 11407 1 . ASN 51 51 11407 1 . VAL 52 52 11407 1 . VAL 53 53 11407 1 . SER 54 54 11407 1 . ALA 55 55 11407 1 . LYS 56 56 11407 1 . VAL 57 57 11407 1 . PHE 58 58 11407 1 . ILE 59 59 11407 1 . ASP 60 60 11407 1 . LYS 61 61 11407 1 . GLN 62 62 11407 1 . THR 63 63 11407 1 . ASN 64 64 11407 1 . LEU 65 65 11407 1 . SER 66 66 11407 1 . LYS 67 67 11407 1 . CYS 68 68 11407 1 . PHE 69 69 11407 1 . GLY 70 70 11407 1 . PHE 71 71 11407 1 . VAL 72 72 11407 1 . SER 73 73 11407 1 . TYR 74 74 11407 1 . ASP 75 75 11407 1 . ASN 76 76 11407 1 . PRO 77 77 11407 1 . VAL 78 78 11407 1 . SER 79 79 11407 1 . ALA 80 80 11407 1 . GLN 81 81 11407 1 . ALA 82 82 11407 1 . ALA 83 83 11407 1 . ILE 84 84 11407 1 . GLN 85 85 11407 1 . SER 86 86 11407 1 . MET 87 87 11407 1 . ASN 88 88 11407 1 . GLY 89 89 11407 1 . PHE 90 90 11407 1 . GLN 91 91 11407 1 . ILE 92 92 11407 1 . GLY 93 93 11407 1 . MET 94 94 11407 1 . LYS 95 95 11407 1 . ARG 96 96 11407 1 . LEU 97 97 11407 1 . LYS 98 98 11407 1 . VAL 99 99 11407 1 . GLN 100 100 11407 1 . LEU 101 101 11407 1 . LYS 102 102 11407 1 . ARG 103 103 11407 1 . SER 104 104 11407 1 . LYS 105 105 11407 1 . ASN 106 106 11407 1 . ASP 107 107 11407 1 . SER 108 108 11407 1 . LYS 109 109 11407 1 . SER 110 110 11407 1 . GLY 111 111 11407 1 . PRO 112 112 11407 1 . SER 113 113 11407 1 . SER 114 114 11407 1 . GLY 115 115 11407 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11407 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RNA (UAUAUA)' _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 UAUAUA _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA (UAUAUA)' . 11407 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 . U . 11407 2 2 . A . 11407 2 3 . U . 11407 2 4 . A . 11407 2 5 . U . 11407 2 6 . A . 11407 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 11407 2 . A 2 2 11407 2 . U 3 3 11407 2 . A 4 4 11407 2 . U 5 5 11407 2 . A 6 6 11407 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 11407 _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 . . . . . . . . . . . . . . . . . . . . . 11407 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 11407 _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 . . . . . . . . . . . . . . . . P040329-21 . . . . . . 11407 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11407 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2mM {[U-100%} {13C;} U-100% 15N\] protein, 0.4mM 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 'RNA recognition motif' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.2 . . mM . . . . 11407 1 2 'RNA (UAUAUA)' 'natural abundance' . . 2 $entity_2 . RNA 0.4 . . mM . . . . 11407 1 3 salt . . . . . . salt 100 . . mM . . . . 11407 1 4 H2O . . . . . . solvent 90 . . % . . . . 11407 1 5 D2O . . . . . . solvent 10 . . % . . . . 11407 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 11407 _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' 120 0.1 mM 11407 1 pH 7.0 0.05 pH 11407 1 pressure 1 0.001 atm 11407 1 temperature 298 0.1 K 11407 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11407 _Software.ID 1 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11407 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11407 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11407 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker, Biospin' . . 11407 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11407 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11407 _Software.ID 3 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . 11407 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11407 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11407 _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' . . 11407 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11407 4 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11407 _Software.ID 5 _Software.Name Kujira _Software.Version 0.9297 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11407 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11407 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11407 _Software.ID 6 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler, and, Wuthrich' . . 11407 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11407 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 11407 _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 11407 _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 . . . 11407 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 11407 _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 . . . . . . . . . . . . . . . . 11407 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11407 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 11407 _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 . . . . . . . . . 11407 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11407 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11407 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 11407 _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 11407 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11407 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 . . 11407 1 2 $xwinnmr . . 11407 1 3 $NMRPipe . . 11407 1 4 $NMRView . . 11407 1 5 $Kujira . . 11407 1 6 $CYANA . . 11407 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 7 7 GLY H H 1 8.387 0.030 . 1 . . . . 7 GLY H . 11407 1 2 . 1 1 7 7 GLY N N 15 110.592 0.300 . 1 . . . . 7 GLY N . 11407 1 3 . 1 1 8 8 LEU H H 1 8.081 0.030 . 1 . . . . 8 LEU H . 11407 1 4 . 1 1 8 8 LEU N N 15 121.496 0.300 . 1 . . . . 8 LEU N . 11407 1 5 . 1 1 9 9 THR H H 1 8.130 0.030 . 1 . . . . 9 THR H . 11407 1 6 . 1 1 9 9 THR N N 15 114.795 0.300 . 1 . . . . 9 THR N . 11407 1 7 . 1 1 10 10 GLN H H 1 8.392 0.030 . 1 . . . . 10 GLN H . 11407 1 8 . 1 1 10 10 GLN N N 15 122.528 0.300 . 1 . . . . 10 GLN N . 11407 1 9 . 1 1 11 11 GLN H H 1 8.373 0.030 . 1 . . . . 11 GLN H . 11407 1 10 . 1 1 11 11 GLN N N 15 121.495 0.300 . 1 . . . . 11 GLN N . 11407 1 11 . 1 1 12 12 SER H H 1 8.426 0.030 . 1 . . . . 12 SER H . 11407 1 12 . 1 1 12 12 SER N N 15 117.870 0.300 . 1 . . . . 12 SER N . 11407 1 13 . 1 1 13 13 ILE H H 1 8.227 0.030 . 1 . . . . 13 ILE H . 11407 1 14 . 1 1 13 13 ILE N N 15 122.916 0.300 . 1 . . . . 13 ILE N . 11407 1 15 . 1 1 14 14 GLY H H 1 8.432 0.030 . 1 . . . . 14 GLY H . 11407 1 16 . 1 1 14 14 GLY N N 15 112.625 0.300 . 1 . . . . 14 GLY N . 11407 1 17 . 1 1 15 15 ALA H H 1 7.959 0.030 . 1 . . . . 15 ALA H . 11407 1 18 . 1 1 15 15 ALA N N 15 123.090 0.300 . 1 . . . . 15 ALA N . 11407 1 19 . 1 1 16 16 ALA H H 1 8.259 0.030 . 1 . . . . 16 ALA H . 11407 1 20 . 1 1 16 16 ALA N N 15 121.813 0.300 . 1 . . . . 16 ALA N . 11407 1 21 . 1 1 17 17 GLY H H 1 8.859 0.030 . 1 . . . . 17 GLY H . 11407 1 22 . 1 1 17 17 GLY N N 15 110.846 0.300 . 1 . . . . 17 GLY N . 11407 1 23 . 1 1 18 18 SER H H 1 7.774 0.030 . 1 . . . . 18 SER H . 11407 1 24 . 1 1 18 18 SER N N 15 115.604 0.300 . 1 . . . . 18 SER N . 11407 1 25 . 1 1 19 19 GLN H H 1 8.342 0.030 . 1 . . . . 19 GLN H . 11407 1 26 . 1 1 19 19 GLN N N 15 119.904 0.300 . 1 . . . . 19 GLN N . 11407 1 27 . 1 1 20 20 LYS H H 1 8.093 0.030 . 1 . . . . 20 LYS H . 11407 1 28 . 1 1 20 20 LYS N N 15 123.479 0.300 . 1 . . . . 20 LYS N . 11407 1 29 . 1 1 21 21 GLU H H 1 8.552 0.030 . 1 . . . . 21 GLU H . 11407 1 30 . 1 1 21 21 GLU N N 15 124.089 0.300 . 1 . . . . 21 GLU N . 11407 1 31 . 1 1 22 22 GLY H H 1 9.195 0.030 . 1 . . . . 22 GLY H . 11407 1 32 . 1 1 22 22 GLY N N 15 110.368 0.300 . 1 . . . . 22 GLY N . 11407 1 33 . 1 1 24 24 GLU H H 1 8.356 0.030 . 1 . . . . 24 GLU H . 11407 1 34 . 1 1 24 24 GLU N N 15 119.191 0.300 . 1 . . . . 24 GLU N . 11407 1 35 . 1 1 25 25 GLY H H 1 8.601 0.030 . 1 . . . . 25 GLY H . 11407 1 36 . 1 1 25 25 GLY N N 15 113.021 0.300 . 1 . . . . 25 GLY N . 11407 1 37 . 1 1 26 26 ALA H H 1 8.345 0.030 . 1 . . . . 26 ALA H . 11407 1 38 . 1 1 26 26 ALA N N 15 119.980 0.300 . 1 . . . . 26 ALA N . 11407 1 39 . 1 1 27 27 ASN H H 1 7.461 0.030 . 1 . . . . 27 ASN H . 11407 1 40 . 1 1 27 27 ASN N N 15 115.318 0.300 . 1 . . . . 27 ASN N . 11407 1 41 . 1 1 28 28 LEU H H 1 9.472 0.030 . 1 . . . . 28 LEU H . 11407 1 42 . 1 1 28 28 LEU N N 15 124.200 0.300 . 1 . . . . 28 LEU N . 11407 1 43 . 1 1 29 29 PHE H H 1 9.121 0.030 . 1 . . . . 29 PHE H . 11407 1 44 . 1 1 29 29 PHE N N 15 119.595 0.300 . 1 . . . . 29 PHE N . 11407 1 45 . 1 1 30 30 ILE H H 1 8.507 0.030 . 1 . . . . 30 ILE H . 11407 1 46 . 1 1 30 30 ILE N N 15 121.159 0.300 . 1 . . . . 30 ILE N . 11407 1 47 . 1 1 31 31 TYR H H 1 9.292 0.030 . 1 . . . . 31 TYR H . 11407 1 48 . 1 1 31 31 TYR N N 15 123.756 0.300 . 1 . . . . 31 TYR N . 11407 1 49 . 1 1 32 32 HIS H H 1 8.524 0.030 . 1 . . . . 32 HIS H . 11407 1 50 . 1 1 32 32 HIS N N 15 112.363 0.300 . 1 . . . . 32 HIS N . 11407 1 51 . 1 1 33 33 LEU H H 1 7.332 0.030 . 1 . . . . 33 LEU H . 11407 1 52 . 1 1 33 33 LEU N N 15 114.105 0.300 . 1 . . . . 33 LEU N . 11407 1 53 . 1 1 35 35 GLN H H 1 9.053 0.030 . 1 . . . . 35 GLN H . 11407 1 54 . 1 1 35 35 GLN N N 15 125.748 0.300 . 1 . . . . 35 GLN N . 11407 1 55 . 1 1 36 36 GLU H H 1 9.033 0.030 . 1 . . . . 36 GLU H . 11407 1 56 . 1 1 36 36 GLU N N 15 114.359 0.300 . 1 . . . . 36 GLU N . 11407 1 57 . 1 1 37 37 PHE H H 1 7.555 0.030 . 1 . . . . 37 PHE H . 11407 1 58 . 1 1 37 37 PHE N N 15 122.481 0.300 . 1 . . . . 37 PHE N . 11407 1 59 . 1 1 38 38 GLY H H 1 9.547 0.030 . 1 . . . . 38 GLY H . 11407 1 60 . 1 1 38 38 GLY N N 15 114.119 0.300 . 1 . . . . 38 GLY N . 11407 1 61 . 1 1 39 39 ASP H H 1 8.558 0.030 . 1 . . . . 39 ASP H . 11407 1 62 . 1 1 39 39 ASP N N 15 120.471 0.300 . 1 . . . . 39 ASP N . 11407 1 63 . 1 1 40 40 GLN H H 1 8.669 0.030 . 1 . . . . 40 GLN H . 11407 1 64 . 1 1 40 40 GLN N N 15 115.818 0.300 . 1 . . . . 40 GLN N . 11407 1 65 . 1 1 41 41 ASP H H 1 7.045 0.030 . 1 . . . . 41 ASP H . 11407 1 66 . 1 1 41 41 ASP N N 15 118.292 0.300 . 1 . . . . 41 ASP N . 11407 1 67 . 1 1 42 42 LEU H H 1 7.701 0.030 . 1 . . . . 42 LEU H . 11407 1 68 . 1 1 42 42 LEU N N 15 120.553 0.300 . 1 . . . . 42 LEU N . 11407 1 69 . 1 1 43 43 LEU H H 1 8.219 0.030 . 1 . . . . 43 LEU H . 11407 1 70 . 1 1 43 43 LEU N N 15 118.749 0.300 . 1 . . . . 43 LEU N . 11407 1 71 . 1 1 44 44 GLN H H 1 8.001 0.030 . 1 . . . . 44 GLN H . 11407 1 72 . 1 1 44 44 GLN N N 15 115.512 0.300 . 1 . . . . 44 GLN N . 11407 1 73 . 1 1 45 45 MET H H 1 7.542 0.030 . 1 . . . . 45 MET H . 11407 1 74 . 1 1 45 45 MET N N 15 116.152 0.300 . 1 . . . . 45 MET N . 11407 1 75 . 1 1 46 46 PHE H H 1 7.586 0.030 . 1 . . . . 46 PHE H . 11407 1 76 . 1 1 46 46 PHE N N 15 113.115 0.300 . 1 . . . . 46 PHE N . 11407 1 77 . 1 1 47 47 MET H H 1 8.444 0.030 . 1 . . . . 47 MET H . 11407 1 78 . 1 1 47 47 MET N N 15 127.700 0.300 . 1 . . . . 47 MET N . 11407 1 79 . 1 1 49 49 PHE H H 1 6.573 0.030 . 1 . . . . 49 PHE H . 11407 1 80 . 1 1 49 49 PHE N N 15 110.107 0.300 . 1 . . . . 49 PHE N . 11407 1 81 . 1 1 50 50 GLY H H 1 7.650 0.030 . 1 . . . . 50 GLY H . 11407 1 82 . 1 1 50 50 GLY N N 15 105.893 0.300 . 1 . . . . 50 GLY N . 11407 1 83 . 1 1 51 51 ASN H H 1 8.997 0.030 . 1 . . . . 51 ASN H . 11407 1 84 . 1 1 51 51 ASN N N 15 117.329 0.300 . 1 . . . . 51 ASN N . 11407 1 85 . 1 1 52 52 VAL H H 1 8.321 0.030 . 1 . . . . 52 VAL H . 11407 1 86 . 1 1 52 52 VAL N N 15 128.208 0.300 . 1 . . . . 52 VAL N . 11407 1 87 . 1 1 53 53 VAL H H 1 8.907 0.030 . 1 . . . . 53 VAL H . 11407 1 88 . 1 1 53 53 VAL N N 15 129.989 0.300 . 1 . . . . 53 VAL N . 11407 1 89 . 1 1 54 54 SER H H 1 7.180 0.030 . 1 . . . . 54 SER H . 11407 1 90 . 1 1 54 54 SER N N 15 113.391 0.300 . 1 . . . . 54 SER N . 11407 1 91 . 1 1 55 55 ALA H H 1 7.898 0.030 . 1 . . . . 55 ALA H . 11407 1 92 . 1 1 55 55 ALA N N 15 124.512 0.300 . 1 . . . . 55 ALA N . 11407 1 93 . 1 1 56 56 LYS H H 1 8.795 0.030 . 1 . . . . 56 LYS H . 11407 1 94 . 1 1 56 56 LYS N N 15 123.696 0.300 . 1 . . . . 56 LYS N . 11407 1 95 . 1 1 57 57 VAL H H 1 8.741 0.030 . 1 . . . . 57 VAL H . 11407 1 96 . 1 1 57 57 VAL N N 15 126.045 0.300 . 1 . . . . 57 VAL N . 11407 1 97 . 1 1 58 58 PHE H H 1 8.307 0.030 . 1 . . . . 58 PHE H . 11407 1 98 . 1 1 58 58 PHE N N 15 127.899 0.300 . 1 . . . . 58 PHE N . 11407 1 99 . 1 1 59 59 ILE H H 1 8.312 0.030 . 1 . . . . 59 ILE H . 11407 1 100 . 1 1 59 59 ILE N N 15 121.227 0.300 . 1 . . . . 59 ILE N . 11407 1 101 . 1 1 60 60 ASP H H 1 8.660 0.030 . 1 . . . . 60 ASP H . 11407 1 102 . 1 1 60 60 ASP N N 15 126.295 0.300 . 1 . . . . 60 ASP N . 11407 1 103 . 1 1 61 61 LYS H H 1 8.893 0.030 . 1 . . . . 61 LYS H . 11407 1 104 . 1 1 61 61 LYS N N 15 127.532 0.300 . 1 . . . . 61 LYS N . 11407 1 105 . 1 1 62 62 GLN H H 1 8.697 0.030 . 1 . . . . 62 GLN H . 11407 1 106 . 1 1 62 62 GLN N N 15 117.036 0.300 . 1 . . . . 62 GLN N . 11407 1 107 . 1 1 63 63 THR H H 1 7.778 0.030 . 1 . . . . 63 THR H . 11407 1 108 . 1 1 63 63 THR N N 15 107.065 0.300 . 1 . . . . 63 THR N . 11407 1 109 . 1 1 64 64 ASN H H 1 8.495 0.030 . 1 . . . . 64 ASN H . 11407 1 110 . 1 1 64 64 ASN N N 15 116.907 0.300 . 1 . . . . 64 ASN N . 11407 1 111 . 1 1 65 65 LEU H H 1 7.604 0.030 . 1 . . . . 65 LEU H . 11407 1 112 . 1 1 65 65 LEU N N 15 117.782 0.300 . 1 . . . . 65 LEU N . 11407 1 113 . 1 1 66 66 SER H H 1 8.705 0.030 . 1 . . . . 66 SER H . 11407 1 114 . 1 1 66 66 SER N N 15 114.995 0.300 . 1 . . . . 66 SER N . 11407 1 115 . 1 1 67 67 LYS H H 1 9.129 0.030 . 1 . . . . 67 LYS H . 11407 1 116 . 1 1 67 67 LYS N N 15 125.211 0.300 . 1 . . . . 67 LYS N . 11407 1 117 . 1 1 68 68 CYS H H 1 10.114 0.030 . 1 . . . . 68 CYS H . 11407 1 118 . 1 1 68 68 CYS N N 15 112.516 0.300 . 1 . . . . 68 CYS N . 11407 1 119 . 1 1 69 69 PHE H H 1 7.493 0.030 . 1 . . . . 69 PHE H . 11407 1 120 . 1 1 69 69 PHE N N 15 114.343 0.300 . 1 . . . . 69 PHE N . 11407 1 121 . 1 1 70 70 GLY H H 1 9.118 0.030 . 1 . . . . 70 GLY H . 11407 1 122 . 1 1 70 70 GLY N N 15 107.505 0.300 . 1 . . . . 70 GLY N . 11407 1 123 . 1 1 71 71 PHE H H 1 8.748 0.030 . 1 . . . . 71 PHE H . 11407 1 124 . 1 1 71 71 PHE N N 15 119.308 0.300 . 1 . . . . 71 PHE N . 11407 1 125 . 1 1 72 72 VAL H H 1 7.729 0.030 . 1 . . . . 72 VAL H . 11407 1 126 . 1 1 72 72 VAL N N 15 123.463 0.300 . 1 . . . . 72 VAL N . 11407 1 127 . 1 1 73 73 SER H H 1 8.566 0.030 . 1 . . . . 73 SER H . 11407 1 128 . 1 1 73 73 SER N N 15 119.521 0.300 . 1 . . . . 73 SER N . 11407 1 129 . 1 1 74 74 TYR H H 1 8.333 0.030 . 1 . . . . 74 TYR H . 11407 1 130 . 1 1 74 74 TYR N N 15 119.866 0.300 . 1 . . . . 74 TYR N . 11407 1 131 . 1 1 75 75 ASP H H 1 7.841 0.030 . 1 . . . . 75 ASP H . 11407 1 132 . 1 1 75 75 ASP N N 15 113.603 0.300 . 1 . . . . 75 ASP N . 11407 1 133 . 1 1 76 76 ASN H H 1 7.206 0.030 . 1 . . . . 76 ASN H . 11407 1 134 . 1 1 76 76 ASN N N 15 113.951 0.300 . 1 . . . . 76 ASN N . 11407 1 135 . 1 1 78 78 VAL H H 1 8.039 0.030 . 1 . . . . 78 VAL H . 11407 1 136 . 1 1 78 78 VAL N N 15 121.246 0.300 . 1 . . . . 78 VAL N . 11407 1 137 . 1 1 79 79 SER H H 1 7.866 0.030 . 1 . . . . 79 SER H . 11407 1 138 . 1 1 79 79 SER N N 15 117.965 0.300 . 1 . . . . 79 SER N . 11407 1 139 . 1 1 80 80 ALA H H 1 6.342 0.030 . 1 . . . . 80 ALA H . 11407 1 140 . 1 1 80 80 ALA N N 15 120.134 0.300 . 1 . . . . 80 ALA N . 11407 1 141 . 1 1 81 81 GLN H H 1 7.725 0.030 . 1 . . . . 81 GLN H . 11407 1 142 . 1 1 81 81 GLN N N 15 115.925 0.300 . 1 . . . . 81 GLN N . 11407 1 143 . 1 1 82 82 ALA H H 1 7.804 0.030 . 1 . . . . 82 ALA H . 11407 1 144 . 1 1 82 82 ALA N N 15 123.051 0.300 . 1 . . . . 82 ALA N . 11407 1 145 . 1 1 83 83 ALA H H 1 7.844 0.030 . 1 . . . . 83 ALA H . 11407 1 146 . 1 1 83 83 ALA N N 15 121.774 0.300 . 1 . . . . 83 ALA N . 11407 1 147 . 1 1 84 84 ILE H H 1 8.048 0.030 . 1 . . . . 84 ILE H . 11407 1 148 . 1 1 84 84 ILE N N 15 118.675 0.300 . 1 . . . . 84 ILE N . 11407 1 149 . 1 1 85 85 GLN H H 1 7.830 0.030 . 1 . . . . 85 GLN H . 11407 1 150 . 1 1 85 85 GLN N N 15 116.627 0.300 . 1 . . . . 85 GLN N . 11407 1 151 . 1 1 86 86 SER H H 1 7.521 0.030 . 1 . . . . 86 SER H . 11407 1 152 . 1 1 86 86 SER N N 15 110.681 0.300 . 1 . . . . 86 SER N . 11407 1 153 . 1 1 87 87 MET H H 1 8.318 0.030 . 1 . . . . 87 MET H . 11407 1 154 . 1 1 87 87 MET N N 15 114.401 0.300 . 1 . . . . 87 MET N . 11407 1 155 . 1 1 88 88 ASN H H 1 8.349 0.030 . 1 . . . . 88 ASN H . 11407 1 156 . 1 1 88 88 ASN N N 15 118.742 0.300 . 1 . . . . 88 ASN N . 11407 1 157 . 1 1 89 89 GLY H H 1 9.024 0.030 . 1 . . . . 89 GLY H . 11407 1 158 . 1 1 89 89 GLY N N 15 118.246 0.300 . 1 . . . . 89 GLY N . 11407 1 159 . 1 1 90 90 PHE H H 1 7.917 0.030 . 1 . . . . 90 PHE H . 11407 1 160 . 1 1 90 90 PHE N N 15 123.256 0.300 . 1 . . . . 90 PHE N . 11407 1 161 . 1 1 91 91 GLN H H 1 7.995 0.030 . 1 . . . . 91 GLN H . 11407 1 162 . 1 1 91 91 GLN N N 15 128.503 0.300 . 1 . . . . 91 GLN N . 11407 1 163 . 1 1 92 92 ILE H H 1 8.468 0.030 . 1 . . . . 92 ILE H . 11407 1 164 . 1 1 92 92 ILE N N 15 126.338 0.300 . 1 . . . . 92 ILE N . 11407 1 165 . 1 1 93 93 GLY H H 1 8.936 0.030 . 1 . . . . 93 GLY H . 11407 1 166 . 1 1 93 93 GLY N N 15 117.716 0.300 . 1 . . . . 93 GLY N . 11407 1 167 . 1 1 94 94 MET H H 1 8.952 0.030 . 1 . . . . 94 MET H . 11407 1 168 . 1 1 94 94 MET N N 15 123.301 0.300 . 1 . . . . 94 MET N . 11407 1 169 . 1 1 95 95 LYS H H 1 7.860 0.030 . 1 . . . . 95 LYS H . 11407 1 170 . 1 1 95 95 LYS N N 15 119.617 0.300 . 1 . . . . 95 LYS N . 11407 1 171 . 1 1 96 96 ARG H H 1 8.094 0.030 . 1 . . . . 96 ARG H . 11407 1 172 . 1 1 96 96 ARG N N 15 119.539 0.300 . 1 . . . . 96 ARG N . 11407 1 173 . 1 1 97 97 LEU H H 1 9.036 0.030 . 1 . . . . 97 LEU H . 11407 1 174 . 1 1 97 97 LEU N N 15 122.462 0.300 . 1 . . . . 97 LEU N . 11407 1 175 . 1 1 98 98 LYS H H 1 8.078 0.030 . 1 . . . . 98 LYS H . 11407 1 176 . 1 1 98 98 LYS N N 15 123.483 0.300 . 1 . . . . 98 LYS N . 11407 1 177 . 1 1 99 99 VAL H H 1 8.754 0.030 . 1 . . . . 99 VAL H . 11407 1 178 . 1 1 99 99 VAL N N 15 126.487 0.300 . 1 . . . . 99 VAL N . 11407 1 179 . 1 1 100 100 GLN H H 1 9.043 0.030 . 1 . . . . 100 GLN H . 11407 1 180 . 1 1 100 100 GLN N N 15 123.292 0.300 . 1 . . . . 100 GLN N . 11407 1 181 . 1 1 101 101 LEU H H 1 8.739 0.030 . 1 . . . . 101 LEU H . 11407 1 182 . 1 1 101 101 LEU N N 15 122.378 0.300 . 1 . . . . 101 LEU N . 11407 1 183 . 1 1 102 102 LYS H H 1 8.508 0.030 . 1 . . . . 102 LYS H . 11407 1 184 . 1 1 102 102 LYS N N 15 124.594 0.300 . 1 . . . . 102 LYS N . 11407 1 185 . 1 1 103 103 ARG H H 1 8.569 0.030 . 1 . . . . 103 ARG H . 11407 1 186 . 1 1 103 103 ARG N N 15 126.277 0.300 . 1 . . . . 103 ARG N . 11407 1 187 . 1 1 104 104 SER H H 1 8.626 0.030 . 1 . . . . 104 SER H . 11407 1 188 . 1 1 104 104 SER N N 15 119.122 0.300 . 1 . . . . 104 SER N . 11407 1 189 . 1 1 105 105 LYS H H 1 9.142 0.030 . 1 . . . . 105 LYS H . 11407 1 190 . 1 1 105 105 LYS N N 15 125.210 0.300 . 1 . . . . 105 LYS N . 11407 1 191 . 1 1 107 107 ASP H H 1 8.185 0.030 . 1 . . . . 107 ASP H . 11407 1 192 . 1 1 107 107 ASP N N 15 121.189 0.300 . 1 . . . . 107 ASP N . 11407 1 193 . 1 1 108 108 SER H H 1 8.249 0.030 . 1 . . . . 108 SER H . 11407 1 194 . 1 1 108 108 SER N N 15 116.293 0.300 . 1 . . . . 108 SER N . 11407 1 195 . 1 1 109 109 LYS H H 1 8.337 0.030 . 1 . . . . 109 LYS H . 11407 1 196 . 1 1 109 109 LYS N N 15 122.830 0.300 . 1 . . . . 109 LYS N . 11407 1 197 . 1 1 110 110 SER H H 1 8.217 0.030 . 1 . . . . 110 SER H . 11407 1 198 . 1 1 110 110 SER N N 15 116.353 0.300 . 1 . . . . 110 SER N . 11407 1 199 . 1 1 111 111 GLY H H 1 8.177 0.030 . 1 . . . . 111 GLY H . 11407 1 200 . 1 1 111 111 GLY N N 15 110.625 0.300 . 1 . . . . 111 GLY N . 11407 1 stop_ save_