data_11372 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11372 _Entry.Title ; Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, K138A mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _Entry.Last_release_date 2010-11-30 _Entry.Original_release_date 2010-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Takahashi . . . 11372 2 K. Kuwasako . . . 11372 3 C. Abe . . . 11372 4 K. Tsuda . . . 11372 5 M. Inoue . . . 11372 6 T. Terada . . . 11372 7 M. Shirouzu . . . 11372 8 N. Kobayashi . . . 11372 9 T. Kigawa . . . 11372 10 S. Taguchi . . . 11372 11 P. Guntert . . . 11372 12 Y. Hayashizaki . . . 11372 13 A. Tanaka . . . 11372 14 Y. Muto . . . 11372 15 S. Yokoyama . . . 11372 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)' . 11372 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11372 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 11372 '15N chemical shifts' 95 11372 '1H chemical shifts' 95 11372 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-30 2010-09-08 original author . 11372 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11370 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, C terminal truncated' 11372 BMRB 11371 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, D131A mutant' 11372 BMRB 11373 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, T134A mutant' 11372 BMRB 11374 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (CCCCC)' 11372 BMRB 11375 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (UUUUU)' 11372 BMRB 11376 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1' 11372 PDB 2RNE 'BMRB Entry Tracking System' 11372 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11372 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18500819 _Citation.Full_citation . _Citation.Title 'Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 47 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6437 _Citation.Page_last 6450 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kanako Kuwasako . . . 11372 1 2 Mari Takahashi . . . 11372 1 3 Naoya Tochio . . . 11372 1 4 Chikage Abe . . . 11372 1 5 Kengo Tsuda . . . 11372 1 6 Makoto Inoue . . . 11372 1 7 Takaho Terada . . . 11372 1 8 Mikako Shirouzu . . . 11372 1 9 Naohiro Kobayashi . . . 11372 1 10 Takanori Kigawa . . . 11372 1 11 Seiichi Taguchi . . . 11372 1 12 Akiko Tanaka . . . 11372 1 13 Yoshihide Hayashizaki . . . 11372 1 14 Peter Guntert . . . 11372 1 15 Yutaka Muto . . . 11372 1 16 Shigeyuki Yokoyama . . . 11372 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11372 _Assembly.ID 1 _Assembly.Name 'Tia1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RRM domain K138A mutant' 1 $entity_1 A . yes native no no . . . 11372 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2rne . . . . . . 11372 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11372 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM domain K138A mutant' _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 ; GQKKDTSNHFHVFVGDLSPE ITTEDIKAAFAPFGRISDAR VVKDMATGKSAGYGFVSFFN KWDAENAIQQMGGQWLGGRQ IRTNWATRKPPAPKSTYESN TKQ ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11370 . "RRM domain C terminal truncated" . . . . . 84.47 87 98.85 98.85 8.94e-56 . . . . 11372 1 2 no BMRB 11371 . "RRM domain D131A mutant" . . . . . 100.00 103 98.06 98.06 1.99e-67 . . . . 11372 1 3 no BMRB 11373 . "RRM domain T134A mutant" . . . . . 100.00 103 98.06 98.06 9.28e-68 . . . . 11372 1 4 no BMRB 11374 . "RRM domain" . . . . . 100.00 115 99.03 99.03 9.52e-69 . . . . 11372 1 5 no BMRB 11375 . "RRM domain" . . . . . 100.00 115 99.03 99.03 9.52e-69 . . . . 11372 1 6 no BMRB 11376 . "RRM domain" . . . . . 100.00 115 99.03 99.03 9.52e-69 . . . . 11372 1 7 no PDB 2DGO . "Solution Structure Of The Rna Binding Domain In Cytotoxic Granule-Associated Rna Binding Protein 1" . . . . . 100.00 115 99.03 99.03 9.52e-69 . . . . 11372 1 8 no PDB 2RNE . "Solution Structure Of The Second Rna Recognition Motif (Rrm) Of Tia-1" . . . . . 100.00 115 99.03 99.03 9.52e-69 . . . . 11372 1 9 no GB EAW99825 . "TIA1 cytotoxic granule-associated RNA binding protein, isoform CRA_c, partial [Homo sapiens]" . . . . . 99.03 144 99.02 99.02 7.41e-68 . . . . 11372 1 10 no REF XP_005430921 . "PREDICTED: nucleolysin TIA-1 isoform p40 [Geospiza fortis]" . . . . . 99.03 367 98.04 99.02 2.65e-64 . . . . 11372 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain K138A mutant' . 11372 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 . 11372 1 2 . GLN . 11372 1 3 . LYS . 11372 1 4 . LYS . 11372 1 5 . ASP . 11372 1 6 . THR . 11372 1 7 . SER . 11372 1 8 . ASN . 11372 1 9 . HIS . 11372 1 10 . PHE . 11372 1 11 . HIS . 11372 1 12 . VAL . 11372 1 13 . PHE . 11372 1 14 . VAL . 11372 1 15 . GLY . 11372 1 16 . ASP . 11372 1 17 . LEU . 11372 1 18 . SER . 11372 1 19 . PRO . 11372 1 20 . GLU . 11372 1 21 . ILE . 11372 1 22 . THR . 11372 1 23 . THR . 11372 1 24 . GLU . 11372 1 25 . ASP . 11372 1 26 . ILE . 11372 1 27 . LYS . 11372 1 28 . ALA . 11372 1 29 . ALA . 11372 1 30 . PHE . 11372 1 31 . ALA . 11372 1 32 . PRO . 11372 1 33 . PHE . 11372 1 34 . GLY . 11372 1 35 . ARG . 11372 1 36 . ILE . 11372 1 37 . SER . 11372 1 38 . ASP . 11372 1 39 . ALA . 11372 1 40 . ARG . 11372 1 41 . VAL . 11372 1 42 . VAL . 11372 1 43 . LYS . 11372 1 44 . ASP . 11372 1 45 . MET . 11372 1 46 . ALA . 11372 1 47 . THR . 11372 1 48 . GLY . 11372 1 49 . LYS . 11372 1 50 . SER . 11372 1 51 . ALA . 11372 1 52 . GLY . 11372 1 53 . TYR . 11372 1 54 . GLY . 11372 1 55 . PHE . 11372 1 56 . VAL . 11372 1 57 . SER . 11372 1 58 . PHE . 11372 1 59 . PHE . 11372 1 60 . ASN . 11372 1 61 . LYS . 11372 1 62 . TRP . 11372 1 63 . ASP . 11372 1 64 . ALA . 11372 1 65 . GLU . 11372 1 66 . ASN . 11372 1 67 . ALA . 11372 1 68 . ILE . 11372 1 69 . GLN . 11372 1 70 . GLN . 11372 1 71 . MET . 11372 1 72 . GLY . 11372 1 73 . GLY . 11372 1 74 . GLN . 11372 1 75 . TRP . 11372 1 76 . LEU . 11372 1 77 . GLY . 11372 1 78 . GLY . 11372 1 79 . ARG . 11372 1 80 . GLN . 11372 1 81 . ILE . 11372 1 82 . ARG . 11372 1 83 . THR . 11372 1 84 . ASN . 11372 1 85 . TRP . 11372 1 86 . ALA . 11372 1 87 . THR . 11372 1 88 . ARG . 11372 1 89 . LYS . 11372 1 90 . PRO . 11372 1 91 . PRO . 11372 1 92 . ALA . 11372 1 93 . PRO . 11372 1 94 . LYS . 11372 1 95 . SER . 11372 1 96 . THR . 11372 1 97 . TYR . 11372 1 98 . GLU . 11372 1 99 . SER . 11372 1 100 . ASN . 11372 1 101 . THR . 11372 1 102 . LYS . 11372 1 103 . GLN . 11372 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 11372 1 . GLN 2 2 11372 1 . LYS 3 3 11372 1 . LYS 4 4 11372 1 . ASP 5 5 11372 1 . THR 6 6 11372 1 . SER 7 7 11372 1 . ASN 8 8 11372 1 . HIS 9 9 11372 1 . PHE 10 10 11372 1 . HIS 11 11 11372 1 . VAL 12 12 11372 1 . PHE 13 13 11372 1 . VAL 14 14 11372 1 . GLY 15 15 11372 1 . ASP 16 16 11372 1 . LEU 17 17 11372 1 . SER 18 18 11372 1 . PRO 19 19 11372 1 . GLU 20 20 11372 1 . ILE 21 21 11372 1 . THR 22 22 11372 1 . THR 23 23 11372 1 . GLU 24 24 11372 1 . ASP 25 25 11372 1 . ILE 26 26 11372 1 . LYS 27 27 11372 1 . ALA 28 28 11372 1 . ALA 29 29 11372 1 . PHE 30 30 11372 1 . ALA 31 31 11372 1 . PRO 32 32 11372 1 . PHE 33 33 11372 1 . GLY 34 34 11372 1 . ARG 35 35 11372 1 . ILE 36 36 11372 1 . SER 37 37 11372 1 . ASP 38 38 11372 1 . ALA 39 39 11372 1 . ARG 40 40 11372 1 . VAL 41 41 11372 1 . VAL 42 42 11372 1 . LYS 43 43 11372 1 . ASP 44 44 11372 1 . MET 45 45 11372 1 . ALA 46 46 11372 1 . THR 47 47 11372 1 . GLY 48 48 11372 1 . LYS 49 49 11372 1 . SER 50 50 11372 1 . ALA 51 51 11372 1 . GLY 52 52 11372 1 . TYR 53 53 11372 1 . GLY 54 54 11372 1 . PHE 55 55 11372 1 . VAL 56 56 11372 1 . SER 57 57 11372 1 . PHE 58 58 11372 1 . PHE 59 59 11372 1 . ASN 60 60 11372 1 . LYS 61 61 11372 1 . TRP 62 62 11372 1 . ASP 63 63 11372 1 . ALA 64 64 11372 1 . GLU 65 65 11372 1 . ASN 66 66 11372 1 . ALA 67 67 11372 1 . ILE 68 68 11372 1 . GLN 69 69 11372 1 . GLN 70 70 11372 1 . MET 71 71 11372 1 . GLY 72 72 11372 1 . GLY 73 73 11372 1 . GLN 74 74 11372 1 . TRP 75 75 11372 1 . LEU 76 76 11372 1 . GLY 77 77 11372 1 . GLY 78 78 11372 1 . ARG 79 79 11372 1 . GLN 80 80 11372 1 . ILE 81 81 11372 1 . ARG 82 82 11372 1 . THR 83 83 11372 1 . ASN 84 84 11372 1 . TRP 85 85 11372 1 . ALA 86 86 11372 1 . THR 87 87 11372 1 . ARG 88 88 11372 1 . LYS 89 89 11372 1 . PRO 90 90 11372 1 . PRO 91 91 11372 1 . ALA 92 92 11372 1 . PRO 93 93 11372 1 . LYS 94 94 11372 1 . SER 95 95 11372 1 . THR 96 96 11372 1 . TYR 97 97 11372 1 . GLU 98 98 11372 1 . SER 99 99 11372 1 . ASN 100 100 11372 1 . THR 101 101 11372 1 . LYS 102 102 11372 1 . GLN 103 103 11372 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11372 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11372 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 11372 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 11372 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11372 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM [U-99% 2H] TRIS, 100mM sodium chloride, 1mM [U-98% 2H] DTT, 0.02% sodium azide, 1mM [U-99% 13C; U-99% 15N] protein, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RRM domain K138A mutant' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 11372 1 2 TRIS '[U-99% 2H]' . . . . . buffer 20 . . mM . . . . 11372 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11372 1 4 DTT '[U-98% 2H]' . . . . . salt 1 . . mM . . . . 11372 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11372 1 6 H2O . . . . . . solvent 90 . . % . . . . 11372 1 7 D2O . . . . . . solvent 10 . . % . . . . 11372 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 11372 _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 11372 1 pH 7.0 0.05 pH 11372 1 pressure 1 0.001 atm 11372 1 temperature 298 0.1 K 11372 1 stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 11372 _Software.ID 1 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 11372 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11372 1 'structure solution' 11372 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11372 _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 11372 _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 . . . 11372 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 11372 _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 . . . . . . . . . . . . . . . . 11372 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11372 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 11372 _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 . . . . . . . . . 11372 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11372 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11372 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 11372 _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 11372 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11372 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $OPAL . . 11372 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 2 2 GLN C C 13 175.975 0.300 . 1 . . . . 2 GLN C . 11372 1 2 . 1 1 2 2 GLN CA C 13 55.936 0.300 . 1 . . . . 2 GLN CA . 11372 1 3 . 1 1 2 2 GLN CB C 13 29.836 0.300 . 1 . . . . 2 GLN CB . 11372 1 4 . 1 1 3 3 LYS H H 1 8.530 0.030 . 1 . . . . 3 LYS H . 11372 1 5 . 1 1 3 3 LYS C C 13 176.437 0.300 . 1 . . . . 3 LYS C . 11372 1 6 . 1 1 3 3 LYS CA C 13 56.550 0.300 . 1 . . . . 3 LYS CA . 11372 1 7 . 1 1 3 3 LYS CB C 13 32.958 0.300 . 1 . . . . 3 LYS CB . 11372 1 8 . 1 1 3 3 LYS N N 15 123.814 0.300 . 1 . . . . 3 LYS N . 11372 1 9 . 1 1 4 4 LYS H H 1 8.454 0.030 . 1 . . . . 4 LYS H . 11372 1 10 . 1 1 4 4 LYS C C 13 175.981 0.300 . 1 . . . . 4 LYS C . 11372 1 11 . 1 1 4 4 LYS CA C 13 56.410 0.300 . 1 . . . . 4 LYS CA . 11372 1 12 . 1 1 4 4 LYS CB C 13 33.112 0.300 . 1 . . . . 4 LYS CB . 11372 1 13 . 1 1 4 4 LYS N N 15 123.650 0.300 . 1 . . . . 4 LYS N . 11372 1 14 . 1 1 5 5 ASP H H 1 8.434 0.030 . 1 . . . . 5 ASP H . 11372 1 15 . 1 1 5 5 ASP C C 13 176.682 0.300 . 1 . . . . 5 ASP C . 11372 1 16 . 1 1 5 5 ASP CA C 13 54.247 0.300 . 1 . . . . 5 ASP CA . 11372 1 17 . 1 1 5 5 ASP CB C 13 41.248 0.300 . 1 . . . . 5 ASP CB . 11372 1 18 . 1 1 5 5 ASP N N 15 122.419 0.300 . 1 . . . . 5 ASP N . 11372 1 19 . 1 1 6 6 THR H H 1 8.217 0.030 . 1 . . . . 6 THR H . 11372 1 20 . 1 1 6 6 THR C C 13 175.523 0.300 . 1 . . . . 6 THR C . 11372 1 21 . 1 1 6 6 THR CA C 13 61.156 0.300 . 1 . . . . 6 THR CA . 11372 1 22 . 1 1 6 6 THR CB C 13 69.037 0.300 . 1 . . . . 6 THR CB . 11372 1 23 . 1 1 6 6 THR N N 15 114.831 0.300 . 1 . . . . 6 THR N . 11372 1 24 . 1 1 7 7 SER H H 1 8.305 0.030 . 1 . . . . 7 SER H . 11372 1 25 . 1 1 7 7 SER C C 13 174.470 0.300 . 1 . . . . 7 SER C . 11372 1 26 . 1 1 7 7 SER CA C 13 60.183 0.300 . 1 . . . . 7 SER CA . 11372 1 27 . 1 1 7 7 SER CB C 13 63.407 0.300 . 1 . . . . 7 SER CB . 11372 1 28 . 1 1 7 7 SER N N 15 118.717 0.300 . 1 . . . . 7 SER N . 11372 1 29 . 1 1 8 8 ASN H H 1 8.245 0.030 . 1 . . . . 8 ASN H . 11372 1 30 . 1 1 8 8 ASN C C 13 174.180 0.300 . 1 . . . . 8 ASN C . 11372 1 31 . 1 1 8 8 ASN CA C 13 53.069 0.300 . 1 . . . . 8 ASN CA . 11372 1 32 . 1 1 8 8 ASN CB C 13 38.587 0.300 . 1 . . . . 8 ASN CB . 11372 1 33 . 1 1 8 8 ASN N N 15 119.485 0.300 . 1 . . . . 8 ASN N . 11372 1 34 . 1 1 9 9 HIS H H 1 7.395 0.030 . 1 . . . . 9 HIS H . 11372 1 35 . 1 1 9 9 HIS C C 13 172.219 0.300 . 1 . . . . 9 HIS C . 11372 1 36 . 1 1 9 9 HIS CA C 13 53.790 0.300 . 1 . . . . 9 HIS CA . 11372 1 37 . 1 1 9 9 HIS CB C 13 32.129 0.300 . 1 . . . . 9 HIS CB . 11372 1 38 . 1 1 9 9 HIS N N 15 119.133 0.300 . 1 . . . . 9 HIS N . 11372 1 39 . 1 1 10 10 PHE H H 1 8.363 0.030 . 1 . . . . 10 PHE H . 11372 1 40 . 1 1 10 10 PHE C C 13 174.969 0.300 . 1 . . . . 10 PHE C . 11372 1 41 . 1 1 10 10 PHE CA C 13 58.410 0.300 . 1 . . . . 10 PHE CA . 11372 1 42 . 1 1 10 10 PHE CB C 13 40.839 0.300 . 1 . . . . 10 PHE CB . 11372 1 43 . 1 1 10 10 PHE N N 15 117.495 0.300 . 1 . . . . 10 PHE N . 11372 1 44 . 1 1 11 11 HIS H H 1 8.851 0.030 . 1 . . . . 11 HIS H . 11372 1 45 . 1 1 11 11 HIS C C 13 174.236 0.300 . 1 . . . . 11 HIS C . 11372 1 46 . 1 1 11 11 HIS CA C 13 56.550 0.300 . 1 . . . . 11 HIS CA . 11372 1 47 . 1 1 11 11 HIS CB C 13 33.214 0.300 . 1 . . . . 11 HIS CB . 11372 1 48 . 1 1 11 11 HIS N N 15 124.302 0.300 . 1 . . . . 11 HIS N . 11372 1 49 . 1 1 12 12 VAL H H 1 9.782 0.030 . 1 . . . . 12 VAL H . 11372 1 50 . 1 1 12 12 VAL C C 13 175.413 0.300 . 1 . . . . 12 VAL C . 11372 1 51 . 1 1 12 12 VAL CA C 13 62.179 0.300 . 1 . . . . 12 VAL CA . 11372 1 52 . 1 1 12 12 VAL CB C 13 33.852 0.300 . 1 . . . . 12 VAL CB . 11372 1 53 . 1 1 12 12 VAL N N 15 126.442 0.300 . 1 . . . . 12 VAL N . 11372 1 54 . 1 1 13 13 PHE H H 1 9.134 0.030 . 1 . . . . 13 PHE H . 11372 1 55 . 1 1 13 13 PHE C C 13 172.764 0.300 . 1 . . . . 13 PHE C . 11372 1 56 . 1 1 13 13 PHE CA C 13 57.215 0.300 . 1 . . . . 13 PHE CA . 11372 1 57 . 1 1 13 13 PHE CB C 13 40.839 0.300 . 1 . . . . 13 PHE CB . 11372 1 58 . 1 1 13 13 PHE N N 15 128.011 0.300 . 1 . . . . 13 PHE N . 11372 1 59 . 1 1 14 14 VAL H H 1 7.794 0.030 . 1 . . . . 14 VAL H . 11372 1 60 . 1 1 14 14 VAL C C 13 173.560 0.300 . 1 . . . . 14 VAL C . 11372 1 61 . 1 1 14 14 VAL CA C 13 59.620 0.300 . 1 . . . . 14 VAL CA . 11372 1 62 . 1 1 14 14 VAL CB C 13 32.600 0.300 . 1 . . . . 14 VAL CB . 11372 1 63 . 1 1 14 14 VAL N N 15 127.019 0.300 . 1 . . . . 14 VAL N . 11372 1 64 . 1 1 15 15 GLY H H 1 8.807 0.030 . 1 . . . . 15 GLY H . 11372 1 65 . 1 1 15 15 GLY C C 13 172.288 0.300 . 1 . . . . 15 GLY C . 11372 1 66 . 1 1 15 15 GLY CA C 13 43.603 0.300 . 1 . . . . 15 GLY CA . 11372 1 67 . 1 1 15 15 GLY N N 15 111.366 0.300 . 1 . . . . 15 GLY N . 11372 1 68 . 1 1 16 16 ASP H H 1 8.404 0.030 . 1 . . . . 16 ASP H . 11372 1 69 . 1 1 16 16 ASP C C 13 173.922 0.300 . 1 . . . . 16 ASP C . 11372 1 70 . 1 1 16 16 ASP CA C 13 55.373 0.300 . 1 . . . . 16 ASP CA . 11372 1 71 . 1 1 16 16 ASP CB C 13 38.843 0.300 . 1 . . . . 16 ASP CB . 11372 1 72 . 1 1 16 16 ASP N N 15 115.476 0.300 . 1 . . . . 16 ASP N . 11372 1 73 . 1 1 17 17 LEU H H 1 7.521 0.030 . 1 . . . . 17 LEU H . 11372 1 74 . 1 1 17 17 LEU C C 13 178.277 0.300 . 1 . . . . 17 LEU C . 11372 1 75 . 1 1 17 17 LEU CA C 13 53.172 0.300 . 1 . . . . 17 LEU CA . 11372 1 76 . 1 1 17 17 LEU CB C 13 42.886 0.300 . 1 . . . . 17 LEU CB . 11372 1 77 . 1 1 17 17 LEU N N 15 112.279 0.300 . 1 . . . . 17 LEU N . 11372 1 78 . 1 1 18 18 SER H H 1 8.957 0.030 . 1 . . . . 18 SER H . 11372 1 79 . 1 1 18 18 SER C C 13 174.804 0.300 . 1 . . . . 18 SER C . 11372 1 80 . 1 1 18 18 SER CA C 13 57.062 0.300 . 1 . . . . 18 SER CA . 11372 1 81 . 1 1 18 18 SER CB C 13 63.407 0.300 . 1 . . . . 18 SER CB . 11372 1 82 . 1 1 18 18 SER N N 15 120.996 0.300 . 1 . . . . 18 SER N . 11372 1 83 . 1 1 19 19 PRO C C 13 176.254 0.300 . 1 . . . . 19 PRO C . 11372 1 84 . 1 1 19 19 PRO CA C 13 65.557 0.300 . 1 . . . . 19 PRO CA . 11372 1 85 . 1 1 19 19 PRO CB C 13 31.986 0.300 . 1 . . . . 19 PRO CB . 11372 1 86 . 1 1 20 20 GLU H H 1 9.033 0.030 . 1 . . . . 20 GLU H . 11372 1 87 . 1 1 20 20 GLU C C 13 176.717 0.300 . 1 . . . . 20 GLU C . 11372 1 88 . 1 1 20 20 GLU CA C 13 56.776 0.300 . 1 . . . . 20 GLU CA . 11372 1 89 . 1 1 20 20 GLU CB C 13 28.813 0.300 . 1 . . . . 20 GLU CB . 11372 1 90 . 1 1 20 20 GLU N N 15 116.102 0.300 . 1 . . . . 20 GLU N . 11372 1 91 . 1 1 21 21 ILE H H 1 7.356 0.030 . 1 . . . . 21 ILE H . 11372 1 92 . 1 1 21 21 ILE C C 13 177.043 0.300 . 1 . . . . 21 ILE C . 11372 1 93 . 1 1 21 21 ILE CA C 13 59.467 0.300 . 1 . . . . 21 ILE CA . 11372 1 94 . 1 1 21 21 ILE CB C 13 35.005 0.300 . 1 . . . . 21 ILE CB . 11372 1 95 . 1 1 21 21 ILE N N 15 121.707 0.300 . 1 . . . . 21 ILE N . 11372 1 96 . 1 1 22 22 THR H H 1 9.408 0.030 . 1 . . . . 22 THR H . 11372 1 97 . 1 1 22 22 THR C C 13 176.315 0.300 . 1 . . . . 22 THR C . 11372 1 98 . 1 1 22 22 THR CA C 13 60.132 0.300 . 1 . . . . 22 THR CA . 11372 1 99 . 1 1 22 22 THR CB C 13 73.128 0.300 . 1 . . . . 22 THR CB . 11372 1 100 . 1 1 22 22 THR N N 15 121.202 0.300 . 1 . . . . 22 THR N . 11372 1 101 . 1 1 23 23 THR H H 1 9.026 0.030 . 1 . . . . 23 THR H . 11372 1 102 . 1 1 23 23 THR C C 13 175.349 0.300 . 1 . . . . 23 THR C . 11372 1 103 . 1 1 23 23 THR CA C 13 67.165 0.300 . 1 . . . . 23 THR CA . 11372 1 104 . 1 1 23 23 THR CB C 13 69.139 0.300 . 1 . . . . 23 THR CB . 11372 1 105 . 1 1 23 23 THR N N 15 118.447 0.300 . 1 . . . . 23 THR N . 11372 1 106 . 1 1 24 24 GLU H H 1 8.405 0.030 . 1 . . . . 24 GLU H . 11372 1 107 . 1 1 24 24 GLU C C 13 179.181 0.300 . 1 . . . . 24 GLU C . 11372 1 108 . 1 1 24 24 GLU CA C 13 60.388 0.300 . 1 . . . . 24 GLU CA . 11372 1 109 . 1 1 24 24 GLU CB C 13 28.403 0.300 . 1 . . . . 24 GLU CB . 11372 1 110 . 1 1 24 24 GLU N N 15 119.878 0.300 . 1 . . . . 24 GLU N . 11372 1 111 . 1 1 25 25 ASP H H 1 7.693 0.030 . 1 . . . . 25 ASP H . 11372 1 112 . 1 1 25 25 ASP C C 13 179.848 0.300 . 1 . . . . 25 ASP C . 11372 1 113 . 1 1 25 25 ASP CA C 13 57.471 0.300 . 1 . . . . 25 ASP CA . 11372 1 114 . 1 1 25 25 ASP CB C 13 41.607 0.300 . 1 . . . . 25 ASP CB . 11372 1 115 . 1 1 25 25 ASP N N 15 120.073 0.300 . 1 . . . . 25 ASP N . 11372 1 116 . 1 1 26 26 ILE H H 1 7.920 0.030 . 1 . . . . 26 ILE H . 11372 1 117 . 1 1 26 26 ILE C C 13 177.447 0.300 . 1 . . . . 26 ILE C . 11372 1 118 . 1 1 26 26 ILE CA C 13 64.321 0.300 . 1 . . . . 26 ILE CA . 11372 1 119 . 1 1 26 26 ILE CB C 13 37.256 0.300 . 1 . . . . 26 ILE CB . 11372 1 120 . 1 1 26 26 ILE N N 15 118.440 0.300 . 1 . . . . 26 ILE N . 11372 1 121 . 1 1 27 27 LYS H H 1 8.249 0.030 . 1 . . . . 27 LYS H . 11372 1 122 . 1 1 27 27 LYS C C 13 177.770 0.300 . 1 . . . . 27 LYS C . 11372 1 123 . 1 1 27 27 LYS CA C 13 60.951 0.300 . 1 . . . . 27 LYS CA . 11372 1 124 . 1 1 27 27 LYS CB C 13 32.139 0.300 . 1 . . . . 27 LYS CB . 11372 1 125 . 1 1 27 27 LYS N N 15 121.674 0.300 . 1 . . . . 27 LYS N . 11372 1 126 . 1 1 28 28 ALA H H 1 7.729 0.030 . 1 . . . . 28 ALA H . 11372 1 127 . 1 1 28 28 ALA C C 13 180.301 0.300 . 1 . . . . 28 ALA C . 11372 1 128 . 1 1 28 28 ALA CA C 13 54.861 0.300 . 1 . . . . 28 ALA CA . 11372 1 129 . 1 1 28 28 ALA CB C 13 17.963 0.300 . 1 . . . . 28 ALA CB . 11372 1 130 . 1 1 28 28 ALA N N 15 118.258 0.300 . 1 . . . . 28 ALA N . 11372 1 131 . 1 1 29 29 ALA H H 1 7.837 0.030 . 1 . . . . 29 ALA H . 11372 1 132 . 1 1 29 29 ALA C C 13 177.796 0.300 . 1 . . . . 29 ALA C . 11372 1 133 . 1 1 29 29 ALA CA C 13 53.940 0.300 . 1 . . . . 29 ALA CA . 11372 1 134 . 1 1 29 29 ALA CB C 13 18.884 0.300 . 1 . . . . 29 ALA CB . 11372 1 135 . 1 1 29 29 ALA N N 15 118.017 0.300 . 1 . . . . 29 ALA N . 11372 1 136 . 1 1 30 30 PHE H H 1 7.957 0.030 . 1 . . . . 30 PHE H . 11372 1 137 . 1 1 30 30 PHE C C 13 175.404 0.300 . 1 . . . . 30 PHE C . 11372 1 138 . 1 1 30 30 PHE CA C 13 59.518 0.300 . 1 . . . . 30 PHE CA . 11372 1 139 . 1 1 30 30 PHE CB C 13 40.327 0.300 . 1 . . . . 30 PHE CB . 11372 1 140 . 1 1 30 30 PHE N N 15 112.023 0.300 . 1 . . . . 30 PHE N . 11372 1 141 . 1 1 31 31 ALA H H 1 8.021 0.030 . 1 . . . . 31 ALA H . 11372 1 142 . 1 1 31 31 ALA C C 13 176.345 0.300 . 1 . . . . 31 ALA C . 11372 1 143 . 1 1 31 31 ALA CA C 13 55.629 0.300 . 1 . . . . 31 ALA CA . 11372 1 144 . 1 1 31 31 ALA CB C 13 16.633 0.300 . 1 . . . . 31 ALA CB . 11372 1 145 . 1 1 31 31 ALA N N 15 125.060 0.300 . 1 . . . . 31 ALA N . 11372 1 146 . 1 1 32 32 PRO C C 13 177.365 0.300 . 1 . . . . 32 PRO C . 11372 1 147 . 1 1 32 32 PRO CA C 13 64.943 0.300 . 1 . . . . 32 PRO CA . 11372 1 148 . 1 1 32 32 PRO CB C 13 31.269 0.300 . 1 . . . . 32 PRO CB . 11372 1 149 . 1 1 33 33 PHE H H 1 7.693 0.030 . 1 . . . . 33 PHE H . 11372 1 150 . 1 1 33 33 PHE C C 13 174.536 0.300 . 1 . . . . 33 PHE C . 11372 1 151 . 1 1 33 33 PHE CA C 13 59.723 0.300 . 1 . . . . 33 PHE CA . 11372 1 152 . 1 1 33 33 PHE CB C 13 39.048 0.300 . 1 . . . . 33 PHE CB . 11372 1 153 . 1 1 33 33 PHE N N 15 112.576 0.300 . 1 . . . . 33 PHE N . 11372 1 154 . 1 1 34 34 GLY H H 1 7.597 0.030 . 1 . . . . 34 GLY H . 11372 1 155 . 1 1 34 34 GLY C C 13 171.620 0.300 . 1 . . . . 34 GLY C . 11372 1 156 . 1 1 34 34 GLY CA C 13 44.421 0.300 . 1 . . . . 34 GLY CA . 11372 1 157 . 1 1 34 34 GLY N N 15 104.613 0.300 . 1 . . . . 34 GLY N . 11372 1 158 . 1 1 35 35 ARG H H 1 8.242 0.030 . 1 . . . . 35 ARG H . 11372 1 159 . 1 1 35 35 ARG C C 13 176.984 0.300 . 1 . . . . 35 ARG C . 11372 1 160 . 1 1 35 35 ARG CA C 13 57.829 0.300 . 1 . . . . 35 ARG CA . 11372 1 161 . 1 1 35 35 ARG CB C 13 30.911 0.300 . 1 . . . . 35 ARG CB . 11372 1 162 . 1 1 35 35 ARG N N 15 117.025 0.300 . 1 . . . . 35 ARG N . 11372 1 163 . 1 1 36 36 ILE H H 1 8.507 0.030 . 1 . . . . 36 ILE H . 11372 1 164 . 1 1 36 36 ILE C C 13 176.745 0.300 . 1 . . . . 36 ILE C . 11372 1 165 . 1 1 36 36 ILE CA C 13 60.337 0.300 . 1 . . . . 36 ILE CA . 11372 1 166 . 1 1 36 36 ILE CB C 13 40.769 0.300 . 1 . . . . 36 ILE CB . 11372 1 167 . 1 1 36 36 ILE N N 15 128.024 0.300 . 1 . . . . 36 ILE N . 11372 1 168 . 1 1 37 37 SER H H 1 8.832 0.030 . 1 . . . . 37 SER H . 11372 1 169 . 1 1 37 37 SER C C 13 174.618 0.300 . 1 . . . . 37 SER C . 11372 1 170 . 1 1 37 37 SER CA C 13 57.880 0.300 . 1 . . . . 37 SER CA . 11372 1 171 . 1 1 37 37 SER CB C 13 63.203 0.300 . 1 . . . . 37 SER CB . 11372 1 172 . 1 1 37 37 SER N N 15 123.271 0.300 . 1 . . . . 37 SER N . 11372 1 173 . 1 1 38 38 ASP H H 1 7.269 0.030 . 1 . . . . 38 ASP H . 11372 1 174 . 1 1 38 38 ASP C C 13 172.768 0.300 . 1 . . . . 38 ASP C . 11372 1 175 . 1 1 38 38 ASP CA C 13 53.684 0.300 . 1 . . . . 38 ASP CA . 11372 1 176 . 1 1 38 38 ASP CB C 13 43.654 0.300 . 1 . . . . 38 ASP CB . 11372 1 177 . 1 1 38 38 ASP N N 15 119.551 0.300 . 1 . . . . 38 ASP N . 11372 1 178 . 1 1 39 39 ALA H H 1 7.958 0.030 . 1 . . . . 39 ALA H . 11372 1 179 . 1 1 39 39 ALA C C 13 175.263 0.300 . 1 . . . . 39 ALA C . 11372 1 180 . 1 1 39 39 ALA CA C 13 51.790 0.300 . 1 . . . . 39 ALA CA . 11372 1 181 . 1 1 39 39 ALA CB C 13 22.313 0.300 . 1 . . . . 39 ALA CB . 11372 1 182 . 1 1 39 39 ALA N N 15 121.461 0.300 . 1 . . . . 39 ALA N . 11372 1 183 . 1 1 40 40 ARG H H 1 8.625 0.030 . 1 . . . . 40 ARG H . 11372 1 184 . 1 1 40 40 ARG C C 13 174.327 0.300 . 1 . . . . 40 ARG C . 11372 1 185 . 1 1 40 40 ARG CA C 13 55.833 0.300 . 1 . . . . 40 ARG CA . 11372 1 186 . 1 1 40 40 ARG CB C 13 32.907 0.300 . 1 . . . . 40 ARG CB . 11372 1 187 . 1 1 40 40 ARG N N 15 115.702 0.300 . 1 . . . . 40 ARG N . 11372 1 188 . 1 1 41 41 VAL H H 1 7.700 0.030 . 1 . . . . 41 VAL H . 11372 1 189 . 1 1 41 41 VAL C C 13 176.148 0.300 . 1 . . . . 41 VAL C . 11372 1 190 . 1 1 41 41 VAL CA C 13 63.123 0.300 . 1 . . . . 41 VAL CA . 11372 1 191 . 1 1 41 41 VAL CB C 13 32.753 0.300 . 1 . . . . 41 VAL CB . 11372 1 192 . 1 1 41 41 VAL N N 15 123.834 0.300 . 1 . . . . 41 VAL N . 11372 1 193 . 1 1 42 42 VAL H H 1 8.433 0.030 . 1 . . . . 42 VAL H . 11372 1 194 . 1 1 42 42 VAL C C 13 173.933 0.300 . 1 . . . . 42 VAL C . 11372 1 195 . 1 1 42 42 VAL CA C 13 63.816 0.300 . 1 . . . . 42 VAL CA . 11372 1 196 . 1 1 42 42 VAL CB C 13 30.860 0.300 . 1 . . . . 42 VAL CB . 11372 1 197 . 1 1 42 42 VAL N N 15 131.459 0.300 . 1 . . . . 42 VAL N . 11372 1 198 . 1 1 43 43 LYS H H 1 8.089 0.030 . 1 . . . . 43 LYS H . 11372 1 199 . 1 1 43 43 LYS C C 13 176.175 0.300 . 1 . . . . 43 LYS C . 11372 1 200 . 1 1 43 43 LYS CA C 13 54.502 0.300 . 1 . . . . 43 LYS CA . 11372 1 201 . 1 1 43 43 LYS CB C 13 34.544 0.300 . 1 . . . . 43 LYS CB . 11372 1 202 . 1 1 43 43 LYS N N 15 125.300 0.300 . 1 . . . . 43 LYS N . 11372 1 203 . 1 1 44 44 ASP H H 1 8.764 0.030 . 1 . . . . 44 ASP H . 11372 1 204 . 1 1 44 44 ASP C C 13 177.426 0.300 . 1 . . . . 44 ASP C . 11372 1 205 . 1 1 44 44 ASP CA C 13 53.787 0.300 . 1 . . . . 44 ASP CA . 11372 1 206 . 1 1 44 44 ASP CB C 13 42.169 0.300 . 1 . . . . 44 ASP CB . 11372 1 207 . 1 1 44 44 ASP N N 15 123.394 0.300 . 1 . . . . 44 ASP N . 11372 1 208 . 1 1 45 45 MET H H 1 8.954 0.030 . 1 . . . . 45 MET H . 11372 1 209 . 1 1 45 45 MET C C 13 177.541 0.300 . 1 . . . . 45 MET C . 11372 1 210 . 1 1 45 45 MET CA C 13 57.215 0.300 . 1 . . . . 45 MET CA . 11372 1 211 . 1 1 45 45 MET CB C 13 31.474 0.300 . 1 . . . . 45 MET CB . 11372 1 212 . 1 1 45 45 MET N N 15 126.634 0.300 . 1 . . . . 45 MET N . 11372 1 213 . 1 1 46 46 ALA H H 1 8.587 0.030 . 1 . . . . 46 ALA H . 11372 1 214 . 1 1 46 46 ALA C C 13 179.599 0.300 . 1 . . . . 46 ALA C . 11372 1 215 . 1 1 46 46 ALA CA C 13 54.451 0.300 . 1 . . . . 46 ALA CA . 11372 1 216 . 1 1 46 46 ALA CB C 13 19.243 0.300 . 1 . . . . 46 ALA CB . 11372 1 217 . 1 1 46 46 ALA N N 15 120.750 0.300 . 1 . . . . 46 ALA N . 11372 1 218 . 1 1 47 47 THR H H 1 7.666 0.030 . 1 . . . . 47 THR H . 11372 1 219 . 1 1 47 47 THR C C 13 176.642 0.300 . 1 . . . . 47 THR C . 11372 1 220 . 1 1 47 47 THR CA C 13 61.514 0.300 . 1 . . . . 47 THR CA . 11372 1 221 . 1 1 47 47 THR CB C 13 71.372 0.300 . 1 . . . . 47 THR CB . 11372 1 222 . 1 1 47 47 THR N N 15 104.848 0.300 . 1 . . . . 47 THR N . 11372 1 223 . 1 1 48 48 GLY H H 1 8.492 0.030 . 1 . . . . 48 GLY H . 11372 1 224 . 1 1 48 48 GLY C C 13 173.560 0.300 . 1 . . . . 48 GLY C . 11372 1 225 . 1 1 48 48 GLY CA C 13 45.957 0.300 . 1 . . . . 48 GLY CA . 11372 1 226 . 1 1 48 48 GLY N N 15 111.246 0.300 . 1 . . . . 48 GLY N . 11372 1 227 . 1 1 49 49 LYS H H 1 7.816 0.030 . 1 . . . . 49 LYS H . 11372 1 228 . 1 1 49 49 LYS C C 13 175.433 0.300 . 1 . . . . 49 LYS C . 11372 1 229 . 1 1 49 49 LYS CA C 13 54.963 0.300 . 1 . . . . 49 LYS CA . 11372 1 230 . 1 1 49 49 LYS CB C 13 34.084 0.300 . 1 . . . . 49 LYS CB . 11372 1 231 . 1 1 49 49 LYS N N 15 119.606 0.300 . 1 . . . . 49 LYS N . 11372 1 232 . 1 1 50 50 SER H H 1 8.562 0.030 . 1 . . . . 50 SER H . 11372 1 233 . 1 1 50 50 SER C C 13 176.523 0.300 . 1 . . . . 50 SER C . 11372 1 234 . 1 1 50 50 SER CA C 13 58.750 0.300 . 1 . . . . 50 SER CA . 11372 1 235 . 1 1 50 50 SER CB C 13 63.714 0.300 . 1 . . . . 50 SER CB . 11372 1 236 . 1 1 50 50 SER N N 15 113.778 0.300 . 1 . . . . 50 SER N . 11372 1 237 . 1 1 51 51 ALA H H 1 9.594 0.030 . 1 . . . . 51 ALA H . 11372 1 238 . 1 1 51 51 ALA C C 13 178.274 0.300 . 1 . . . . 51 ALA C . 11372 1 239 . 1 1 51 51 ALA CA C 13 52.148 0.300 . 1 . . . . 51 ALA CA . 11372 1 240 . 1 1 51 51 ALA CB C 13 19.294 0.300 . 1 . . . . 51 ALA CB . 11372 1 241 . 1 1 51 51 ALA N N 15 129.733 0.300 . 1 . . . . 51 ALA N . 11372 1 242 . 1 1 52 52 GLY H H 1 9.102 0.030 . 1 . . . . 52 GLY H . 11372 1 243 . 1 1 52 52 GLY C C 13 172.724 0.300 . 1 . . . . 52 GLY C . 11372 1 244 . 1 1 52 52 GLY CA C 13 45.598 0.300 . 1 . . . . 52 GLY CA . 11372 1 245 . 1 1 52 52 GLY N N 15 105.938 0.300 . 1 . . . . 52 GLY N . 11372 1 246 . 1 1 53 53 TYR H H 1 7.138 0.030 . 1 . . . . 53 TYR H . 11372 1 247 . 1 1 53 53 TYR C C 13 172.154 0.300 . 1 . . . . 53 TYR C . 11372 1 248 . 1 1 53 53 TYR CA C 13 55.219 0.300 . 1 . . . . 53 TYR CA . 11372 1 249 . 1 1 53 53 TYR CB C 13 40.327 0.300 . 1 . . . . 53 TYR CB . 11372 1 250 . 1 1 53 53 TYR N N 15 113.343 0.300 . 1 . . . . 53 TYR N . 11372 1 251 . 1 1 54 54 GLY H H 1 8.837 0.030 . 1 . . . . 54 GLY H . 11372 1 252 . 1 1 54 54 GLY C C 13 169.416 0.300 . 1 . . . . 54 GLY C . 11372 1 253 . 1 1 54 54 GLY CA C 13 45.291 0.300 . 1 . . . . 54 GLY CA . 11372 1 254 . 1 1 54 54 GLY N N 15 106.266 0.300 . 1 . . . . 54 GLY N . 11372 1 255 . 1 1 55 55 PHE H H 1 8.452 0.030 . 1 . . . . 55 PHE H . 11372 1 256 . 1 1 55 55 PHE C C 13 174.530 0.300 . 1 . . . . 55 PHE C . 11372 1 257 . 1 1 55 55 PHE CA C 13 55.782 0.300 . 1 . . . . 55 PHE CA . 11372 1 258 . 1 1 55 55 PHE CB C 13 44.268 0.300 . 1 . . . . 55 PHE CB . 11372 1 259 . 1 1 55 55 PHE N N 15 113.747 0.300 . 1 . . . . 55 PHE N . 11372 1 260 . 1 1 56 56 VAL H H 1 8.945 0.030 . 1 . . . . 56 VAL H . 11372 1 261 . 1 1 56 56 VAL C C 13 173.750 0.300 . 1 . . . . 56 VAL C . 11372 1 262 . 1 1 56 56 VAL CA C 13 61.412 0.300 . 1 . . . . 56 VAL CA . 11372 1 263 . 1 1 56 56 VAL CB C 13 34.800 0.300 . 1 . . . . 56 VAL CB . 11372 1 264 . 1 1 56 56 VAL N N 15 119.893 0.300 . 1 . . . . 56 VAL N . 11372 1 265 . 1 1 57 57 SER H H 1 8.770 0.030 . 1 . . . . 57 SER H . 11372 1 266 . 1 1 57 57 SER C C 13 172.812 0.300 . 1 . . . . 57 SER C . 11372 1 267 . 1 1 57 57 SER CA C 13 57.471 0.300 . 1 . . . . 57 SER CA . 11372 1 268 . 1 1 57 57 SER CB C 13 64.226 0.300 . 1 . . . . 57 SER CB . 11372 1 269 . 1 1 57 57 SER N N 15 122.362 0.300 . 1 . . . . 57 SER N . 11372 1 270 . 1 1 58 58 PHE H H 1 9.261 0.030 . 1 . . . . 58 PHE H . 11372 1 271 . 1 1 58 58 PHE C C 13 175.787 0.300 . 1 . . . . 58 PHE C . 11372 1 272 . 1 1 58 58 PHE CA C 13 57.222 0.300 . 1 . . . . 58 PHE CA . 11372 1 273 . 1 1 58 58 PHE CB C 13 42.579 0.300 . 1 . . . . 58 PHE CB . 11372 1 274 . 1 1 58 58 PHE N N 15 122.038 0.300 . 1 . . . . 58 PHE N . 11372 1 275 . 1 1 59 59 PHE H H 1 7.709 0.030 . 1 . . . . 59 PHE H . 11372 1 276 . 1 1 59 59 PHE C C 13 175.835 0.300 . 1 . . . . 59 PHE C . 11372 1 277 . 1 1 59 59 PHE CA C 13 61.360 0.300 . 1 . . . . 59 PHE CA . 11372 1 278 . 1 1 59 59 PHE CB C 13 40.072 0.300 . 1 . . . . 59 PHE CB . 11372 1 279 . 1 1 59 59 PHE N N 15 117.919 0.300 . 1 . . . . 59 PHE N . 11372 1 280 . 1 1 60 60 ASN H H 1 8.656 0.030 . 1 . . . . 60 ASN H . 11372 1 281 . 1 1 60 60 ASN C C 13 174.811 0.300 . 1 . . . . 60 ASN C . 11372 1 282 . 1 1 60 60 ASN CA C 13 51.586 0.300 . 1 . . . . 60 ASN CA . 11372 1 283 . 1 1 60 60 ASN CB C 13 40.634 0.300 . 1 . . . . 60 ASN CB . 11372 1 284 . 1 1 60 60 ASN N N 15 114.228 0.300 . 1 . . . . 60 ASN N . 11372 1 285 . 1 1 61 61 LYS H H 1 8.161 0.030 . 1 . . . . 61 LYS H . 11372 1 286 . 1 1 61 61 LYS C C 13 177.112 0.300 . 1 . . . . 61 LYS C . 11372 1 287 . 1 1 61 61 LYS CA C 13 60.234 0.300 . 1 . . . . 61 LYS CA . 11372 1 288 . 1 1 61 61 LYS CB C 13 32.139 0.300 . 1 . . . . 61 LYS CB . 11372 1 289 . 1 1 61 61 LYS N N 15 126.632 0.300 . 1 . . . . 61 LYS N . 11372 1 290 . 1 1 62 62 TRP H H 1 7.570 0.030 . 1 . . . . 62 TRP H . 11372 1 291 . 1 1 62 62 TRP C C 13 177.848 0.300 . 1 . . . . 62 TRP C . 11372 1 292 . 1 1 62 62 TRP CA C 13 59.518 0.300 . 1 . . . . 62 TRP CA . 11372 1 293 . 1 1 62 62 TRP CB C 13 27.738 0.300 . 1 . . . . 62 TRP CB . 11372 1 294 . 1 1 62 62 TRP N N 15 116.602 0.300 . 1 . . . . 62 TRP N . 11372 1 295 . 1 1 63 63 ASP H H 1 6.875 0.030 . 1 . . . . 63 ASP H . 11372 1 296 . 1 1 63 63 ASP C C 13 176.510 0.300 . 1 . . . . 63 ASP C . 11372 1 297 . 1 1 63 63 ASP CA C 13 56.908 0.300 . 1 . . . . 63 ASP CA . 11372 1 298 . 1 1 63 63 ASP CB C 13 40.685 0.300 . 1 . . . . 63 ASP CB . 11372 1 299 . 1 1 63 63 ASP N N 15 121.266 0.300 . 1 . . . . 63 ASP N . 11372 1 300 . 1 1 64 64 ALA H H 1 6.591 0.030 . 1 . . . . 64 ALA H . 11372 1 301 . 1 1 64 64 ALA C C 13 177.950 0.300 . 1 . . . . 64 ALA C . 11372 1 302 . 1 1 64 64 ALA CA C 13 54.605 0.300 . 1 . . . . 64 ALA CA . 11372 1 303 . 1 1 64 64 ALA CB C 13 19.243 0.300 . 1 . . . . 64 ALA CB . 11372 1 304 . 1 1 64 64 ALA N N 15 119.705 0.300 . 1 . . . . 64 ALA N . 11372 1 305 . 1 1 65 65 GLU H H 1 8.304 0.030 . 1 . . . . 65 GLU H . 11372 1 306 . 1 1 65 65 GLU C C 13 178.936 0.300 . 1 . . . . 65 GLU C . 11372 1 307 . 1 1 65 65 GLU CA C 13 59.927 0.300 . 1 . . . . 65 GLU CA . 11372 1 308 . 1 1 65 65 GLU CB C 13 30.041 0.300 . 1 . . . . 65 GLU CB . 11372 1 309 . 1 1 65 65 GLU N N 15 117.151 0.300 . 1 . . . . 65 GLU N . 11372 1 310 . 1 1 66 66 ASN H H 1 7.913 0.030 . 1 . . . . 66 ASN H . 11372 1 311 . 1 1 66 66 ASN C C 13 176.325 0.300 . 1 . . . . 66 ASN C . 11372 1 312 . 1 1 66 66 ASN CA C 13 55.731 0.300 . 1 . . . . 66 ASN CA . 11372 1 313 . 1 1 66 66 ASN CB C 13 38.127 0.300 . 1 . . . . 66 ASN CB . 11372 1 314 . 1 1 66 66 ASN N N 15 117.917 0.300 . 1 . . . . 66 ASN N . 11372 1 315 . 1 1 67 67 ALA H H 1 7.869 0.030 . 1 . . . . 67 ALA H . 11372 1 316 . 1 1 67 67 ALA C C 13 179.373 0.300 . 1 . . . . 67 ALA C . 11372 1 317 . 1 1 67 67 ALA CA C 13 55.117 0.300 . 1 . . . . 67 ALA CA . 11372 1 318 . 1 1 67 67 ALA CB C 13 18.914 0.300 . 1 . . . . 67 ALA CB . 11372 1 319 . 1 1 67 67 ALA N N 15 121.673 0.300 . 1 . . . . 67 ALA N . 11372 1 320 . 1 1 68 68 ILE H H 1 8.081 0.030 . 1 . . . . 68 ILE H . 11372 1 321 . 1 1 68 68 ILE C C 13 179.137 0.300 . 1 . . . . 68 ILE C . 11372 1 322 . 1 1 68 68 ILE CA C 13 66.324 0.300 . 1 . . . . 68 ILE CA . 11372 1 323 . 1 1 68 68 ILE CB C 13 38.331 0.300 . 1 . . . . 68 ILE CB . 11372 1 324 . 1 1 68 68 ILE N N 15 116.555 0.300 . 1 . . . . 68 ILE N . 11372 1 325 . 1 1 69 69 GLN H H 1 7.622 0.030 . 1 . . . . 69 GLN H . 11372 1 326 . 1 1 69 69 GLN C C 13 178.496 0.300 . 1 . . . . 69 GLN C . 11372 1 327 . 1 1 69 69 GLN CA C 13 58.494 0.300 . 1 . . . . 69 GLN CA . 11372 1 328 . 1 1 69 69 GLN CB C 13 28.608 0.300 . 1 . . . . 69 GLN CB . 11372 1 329 . 1 1 69 69 GLN N N 15 117.109 0.300 . 1 . . . . 69 GLN N . 11372 1 330 . 1 1 70 70 GLN H H 1 8.417 0.030 . 1 . . . . 70 GLN H . 11372 1 331 . 1 1 70 70 GLN C C 13 178.298 0.300 . 1 . . . . 70 GLN C . 11372 1 332 . 1 1 70 70 GLN CA C 13 57.624 0.300 . 1 . . . . 70 GLN CA . 11372 1 333 . 1 1 70 70 GLN CB C 13 29.069 0.300 . 1 . . . . 70 GLN CB . 11372 1 334 . 1 1 70 70 GLN N N 15 114.721 0.300 . 1 . . . . 70 GLN N . 11372 1 335 . 1 1 71 71 MET H H 1 7.681 0.030 . 1 . . . . 71 MET H . 11372 1 336 . 1 1 71 71 MET C C 13 177.429 0.300 . 1 . . . . 71 MET C . 11372 1 337 . 1 1 71 71 MET CA C 13 53.786 0.300 . 1 . . . . 71 MET CA . 11372 1 338 . 1 1 71 71 MET CB C 13 30.809 0.300 . 1 . . . . 71 MET CB . 11372 1 339 . 1 1 71 71 MET N N 15 113.079 0.300 . 1 . . . . 71 MET N . 11372 1 340 . 1 1 72 72 GLY H H 1 7.035 0.030 . 1 . . . . 72 GLY H . 11372 1 341 . 1 1 72 72 GLY C C 13 175.540 0.300 . 1 . . . . 72 GLY C . 11372 1 342 . 1 1 72 72 GLY CA C 13 48.976 0.300 . 1 . . . . 72 GLY CA . 11372 1 343 . 1 1 72 72 GLY N N 15 106.980 0.300 . 1 . . . . 72 GLY N . 11372 1 344 . 1 1 73 73 GLY H H 1 8.449 0.030 . 1 . . . . 73 GLY H . 11372 1 345 . 1 1 73 73 GLY C C 13 174.467 0.300 . 1 . . . . 73 GLY C . 11372 1 346 . 1 1 73 73 GLY CA C 13 45.752 0.300 . 1 . . . . 73 GLY CA . 11372 1 347 . 1 1 73 73 GLY N N 15 115.353 0.300 . 1 . . . . 73 GLY N . 11372 1 348 . 1 1 74 74 GLN H H 1 7.608 0.030 . 1 . . . . 74 GLN H . 11372 1 349 . 1 1 74 74 GLN C C 13 175.058 0.300 . 1 . . . . 74 GLN C . 11372 1 350 . 1 1 74 74 GLN CA C 13 55.354 0.300 . 1 . . . . 74 GLN CA . 11372 1 351 . 1 1 74 74 GLN CB C 13 28.557 0.300 . 1 . . . . 74 GLN CB . 11372 1 352 . 1 1 74 74 GLN N N 15 119.054 0.300 . 1 . . . . 74 GLN N . 11372 1 353 . 1 1 75 75 TRP H H 1 8.637 0.030 . 1 . . . . 75 TRP H . 11372 1 354 . 1 1 75 75 TRP C C 13 176.504 0.300 . 1 . . . . 75 TRP C . 11372 1 355 . 1 1 75 75 TRP CA C 13 57.829 0.300 . 1 . . . . 75 TRP CA . 11372 1 356 . 1 1 75 75 TRP CB C 13 28.761 0.300 . 1 . . . . 75 TRP CB . 11372 1 357 . 1 1 75 75 TRP N N 15 121.016 0.300 . 1 . . . . 75 TRP N . 11372 1 358 . 1 1 76 76 LEU H H 1 8.548 0.030 . 1 . . . . 76 LEU H . 11372 1 359 . 1 1 76 76 LEU C C 13 176.622 0.300 . 1 . . . . 76 LEU C . 11372 1 360 . 1 1 76 76 LEU CA C 13 54.928 0.300 . 1 . . . . 76 LEU CA . 11372 1 361 . 1 1 76 76 LEU CB C 13 43.960 0.300 . 1 . . . . 76 LEU CB . 11372 1 362 . 1 1 76 76 LEU N N 15 125.900 0.300 . 1 . . . . 76 LEU N . 11372 1 363 . 1 1 77 77 GLY H H 1 9.311 0.030 . 1 . . . . 77 GLY H . 11372 1 364 . 1 1 77 77 GLY C C 13 175.671 0.300 . 1 . . . . 77 GLY C . 11372 1 365 . 1 1 77 77 GLY CA C 13 47.287 0.300 . 1 . . . . 77 GLY CA . 11372 1 366 . 1 1 77 77 GLY N N 15 115.413 0.300 . 1 . . . . 77 GLY N . 11372 1 367 . 1 1 78 78 GLY H H 1 8.740 0.030 . 1 . . . . 78 GLY H . 11372 1 368 . 1 1 78 78 GLY C C 13 173.694 0.300 . 1 . . . . 78 GLY C . 11372 1 369 . 1 1 78 78 GLY CA C 13 46.102 0.300 . 1 . . . . 78 GLY CA . 11372 1 370 . 1 1 78 78 GLY N N 15 107.905 0.300 . 1 . . . . 78 GLY N . 11372 1 371 . 1 1 79 79 ARG H H 1 7.615 0.030 . 1 . . . . 79 ARG H . 11372 1 372 . 1 1 79 79 ARG C C 13 173.728 0.300 . 1 . . . . 79 ARG C . 11372 1 373 . 1 1 79 79 ARG CA C 13 55.219 0.300 . 1 . . . . 79 ARG CA . 11372 1 374 . 1 1 79 79 ARG CB C 13 34.135 0.300 . 1 . . . . 79 ARG CB . 11372 1 375 . 1 1 79 79 ARG N N 15 118.448 0.300 . 1 . . . . 79 ARG N . 11372 1 376 . 1 1 80 80 GLN H H 1 7.799 0.030 . 1 . . . . 80 GLN H . 11372 1 377 . 1 1 80 80 GLN C C 13 176.113 0.300 . 1 . . . . 80 GLN C . 11372 1 378 . 1 1 80 80 GLN CA C 13 55.014 0.300 . 1 . . . . 80 GLN CA . 11372 1 379 . 1 1 80 80 GLN CB C 13 29.632 0.300 . 1 . . . . 80 GLN CB . 11372 1 380 . 1 1 80 80 GLN N N 15 121.774 0.300 . 1 . . . . 80 GLN N . 11372 1 381 . 1 1 81 81 ILE H H 1 8.146 0.030 . 1 . . . . 81 ILE H . 11372 1 382 . 1 1 81 81 ILE C C 13 176.115 0.300 . 1 . . . . 81 ILE C . 11372 1 383 . 1 1 81 81 ILE CA C 13 61.002 0.300 . 1 . . . . 81 ILE CA . 11372 1 384 . 1 1 81 81 ILE CB C 13 39.867 0.300 . 1 . . . . 81 ILE CB . 11372 1 385 . 1 1 81 81 ILE N N 15 118.036 0.300 . 1 . . . . 81 ILE N . 11372 1 386 . 1 1 82 82 ARG H H 1 7.903 0.030 . 1 . . . . 82 ARG H . 11372 1 387 . 1 1 82 82 ARG C C 13 175.195 0.300 . 1 . . . . 82 ARG C . 11372 1 388 . 1 1 82 82 ARG CA C 13 53.786 0.300 . 1 . . . . 82 ARG CA . 11372 1 389 . 1 1 82 82 ARG CB C 13 33.367 0.300 . 1 . . . . 82 ARG CB . 11372 1 390 . 1 1 82 82 ARG N N 15 119.715 0.300 . 1 . . . . 82 ARG N . 11372 1 391 . 1 1 83 83 THR H H 1 8.423 0.030 . 1 . . . . 83 THR H . 11372 1 392 . 1 1 83 83 THR C C 13 174.195 0.300 . 1 . . . . 83 THR C . 11372 1 393 . 1 1 83 83 THR CA C 13 58.492 0.300 . 1 . . . . 83 THR CA . 11372 1 394 . 1 1 83 83 THR CB C 13 71.321 0.300 . 1 . . . . 83 THR CB . 11372 1 395 . 1 1 83 83 THR N N 15 110.630 0.300 . 1 . . . . 83 THR N . 11372 1 396 . 1 1 84 84 ASN H H 1 8.627 0.030 . 1 . . . . 84 ASN H . 11372 1 397 . 1 1 84 84 ASN C C 13 174.297 0.300 . 1 . . . . 84 ASN C . 11372 1 398 . 1 1 84 84 ASN CA C 13 52.609 0.300 . 1 . . . . 84 ASN CA . 11372 1 399 . 1 1 84 84 ASN CB C 13 42.221 0.300 . 1 . . . . 84 ASN CB . 11372 1 400 . 1 1 84 84 ASN N N 15 114.876 0.300 . 1 . . . . 84 ASN N . 11372 1 401 . 1 1 85 85 TRP H H 1 8.772 0.030 . 1 . . . . 85 TRP H . 11372 1 402 . 1 1 85 85 TRP C C 13 177.313 0.300 . 1 . . . . 85 TRP C . 11372 1 403 . 1 1 85 85 TRP CA C 13 58.348 0.300 . 1 . . . . 85 TRP CA . 11372 1 404 . 1 1 85 85 TRP CB C 13 30.218 0.300 . 1 . . . . 85 TRP CB . 11372 1 405 . 1 1 85 85 TRP N N 15 121.990 0.300 . 1 . . . . 85 TRP N . 11372 1 406 . 1 1 86 86 ALA H H 1 8.922 0.030 . 1 . . . . 86 ALA H . 11372 1 407 . 1 1 86 86 ALA C C 13 177.526 0.300 . 1 . . . . 86 ALA C . 11372 1 408 . 1 1 86 86 ALA CA C 13 52.558 0.300 . 1 . . . . 86 ALA CA . 11372 1 409 . 1 1 86 86 ALA CB C 13 19.703 0.300 . 1 . . . . 86 ALA CB . 11372 1 410 . 1 1 86 86 ALA N N 15 125.745 0.300 . 1 . . . . 86 ALA N . 11372 1 411 . 1 1 87 87 THR H H 1 8.584 0.030 . 1 . . . . 87 THR H . 11372 1 412 . 1 1 87 87 THR CA C 13 62.486 0.300 . 1 . . . . 87 THR CA . 11372 1 413 . 1 1 87 87 THR CB C 13 69.548 0.300 . 1 . . . . 87 THR CB . 11372 1 414 . 1 1 87 87 THR N N 15 114.822 0.300 . 1 . . . . 87 THR N . 11372 1 415 . 1 1 88 88 ARG C C 13 175.151 0.300 . 1 . . . . 88 ARG C . 11372 1 416 . 1 1 88 88 ARG CA C 13 55.219 0.300 . 1 . . . . 88 ARG CA . 11372 1 417 . 1 1 88 88 ARG CB C 13 31.167 0.300 . 1 . . . . 88 ARG CB . 11372 1 418 . 1 1 89 89 LYS H H 1 8.210 0.030 . 1 . . . . 89 LYS H . 11372 1 419 . 1 1 89 89 LYS C C 13 173.759 0.300 . 1 . . . . 89 LYS C . 11372 1 420 . 1 1 89 89 LYS CA C 13 54.196 0.300 . 1 . . . . 89 LYS CA . 11372 1 421 . 1 1 89 89 LYS CB C 13 31.986 0.300 . 1 . . . . 89 LYS CB . 11372 1 422 . 1 1 89 89 LYS N N 15 123.608 0.300 . 1 . . . . 89 LYS N . 11372 1 423 . 1 1 91 91 PRO C C 13 176.058 0.300 . 1 . . . . 91 PRO C . 11372 1 424 . 1 1 91 91 PRO CA C 13 62.486 0.300 . 1 . . . . 91 PRO CA . 11372 1 425 . 1 1 91 91 PRO CB C 13 31.986 0.300 . 1 . . . . 91 PRO CB . 11372 1 426 . 1 1 92 92 ALA H H 1 8.295 0.030 . 1 . . . . 92 ALA H . 11372 1 427 . 1 1 92 92 ALA C C 13 175.584 0.300 . 1 . . . . 92 ALA C . 11372 1 428 . 1 1 92 92 ALA CA C 13 50.409 0.300 . 1 . . . . 92 ALA CA . 11372 1 429 . 1 1 92 92 ALA CB C 13 17.964 0.300 . 1 . . . . 92 ALA CB . 11372 1 430 . 1 1 92 92 ALA N N 15 125.495 0.300 . 1 . . . . 92 ALA N . 11372 1 431 . 1 1 93 93 PRO C C 13 176.866 0.300 . 1 . . . . 93 PRO C . 11372 1 432 . 1 1 93 93 PRO CA C 13 62.896 0.300 . 1 . . . . 93 PRO CA . 11372 1 433 . 1 1 93 93 PRO CB C 13 32.088 0.300 . 1 . . . . 93 PRO CB . 11372 1 434 . 1 1 94 94 LYS H H 1 8.412 0.030 . 1 . . . . 94 LYS H . 11372 1 435 . 1 1 94 94 LYS C C 13 176.708 0.300 . 1 . . . . 94 LYS C . 11372 1 436 . 1 1 94 94 LYS CA C 13 56.601 0.300 . 1 . . . . 94 LYS CA . 11372 1 437 . 1 1 94 94 LYS CB C 13 32.958 0.300 . 1 . . . . 94 LYS CB . 11372 1 438 . 1 1 94 94 LYS N N 15 121.633 0.300 . 1 . . . . 94 LYS N . 11372 1 439 . 1 1 95 95 SER H H 1 8.367 0.030 . 1 . . . . 95 SER H . 11372 1 440 . 1 1 95 95 SER C C 13 174.733 0.300 . 1 . . . . 95 SER C . 11372 1 441 . 1 1 95 95 SER CA C 13 58.492 0.300 . 1 . . . . 95 SER CA . 11372 1 442 . 1 1 95 95 SER CB C 13 64.022 0.300 . 1 . . . . 95 SER CB . 11372 1 443 . 1 1 95 95 SER N N 15 117.057 0.300 . 1 . . . . 95 SER N . 11372 1 444 . 1 1 96 96 THR H H 1 8.134 0.030 . 1 . . . . 96 THR H . 11372 1 445 . 1 1 96 96 THR C C 13 174.287 0.300 . 1 . . . . 96 THR C . 11372 1 446 . 1 1 96 96 THR CA C 13 62.078 0.300 . 1 . . . . 96 THR CA . 11372 1 447 . 1 1 96 96 THR CB C 13 69.870 0.300 . 1 . . . . 96 THR CB . 11372 1 448 . 1 1 96 96 THR N N 15 115.608 0.300 . 1 . . . . 96 THR N . 11372 1 449 . 1 1 97 97 TYR H H 1 8.121 0.030 . 1 . . . . 97 TYR H . 11372 1 450 . 1 1 97 97 TYR C C 13 175.690 0.300 . 1 . . . . 97 TYR C . 11372 1 451 . 1 1 97 97 TYR CA C 13 58.136 0.300 . 1 . . . . 97 TYR CA . 11372 1 452 . 1 1 97 97 TYR CB C 13 38.740 0.300 . 1 . . . . 97 TYR CB . 11372 1 453 . 1 1 97 97 TYR N N 15 121.832 0.300 . 1 . . . . 97 TYR N . 11372 1 454 . 1 1 98 98 GLU H H 1 8.207 0.030 . 1 . . . . 98 GLU H . 11372 1 455 . 1 1 98 98 GLU C C 13 176.095 0.300 . 1 . . . . 98 GLU C . 11372 1 456 . 1 1 98 98 GLU CA C 13 56.396 0.300 . 1 . . . . 98 GLU CA . 11372 1 457 . 1 1 98 98 GLU CB C 13 30.450 0.300 . 1 . . . . 98 GLU CB . 11372 1 458 . 1 1 98 98 GLU N N 15 122.648 0.300 . 1 . . . . 98 GLU N . 11372 1 459 . 1 1 99 99 SER H H 1 8.273 0.030 . 1 . . . . 99 SER H . 11372 1 460 . 1 1 99 99 SER C C 13 174.394 0.300 . 1 . . . . 99 SER C . 11372 1 461 . 1 1 99 99 SER CA C 13 58.341 0.300 . 1 . . . . 99 SER CA . 11372 1 462 . 1 1 99 99 SER CB C 13 63.919 0.300 . 1 . . . . 99 SER CB . 11372 1 463 . 1 1 99 99 SER N N 15 116.733 0.300 . 1 . . . . 99 SER N . 11372 1 464 . 1 1 100 100 ASN H H 1 8.475 0.030 . 1 . . . . 100 ASN H . 11372 1 465 . 1 1 100 100 ASN C C 13 175.302 0.300 . 1 . . . . 100 ASN C . 11372 1 466 . 1 1 100 100 ASN CA C 13 53.377 0.300 . 1 . . . . 100 ASN CA . 11372 1 467 . 1 1 100 100 ASN CB C 13 38.792 0.300 . 1 . . . . 100 ASN CB . 11372 1 468 . 1 1 100 100 ASN N N 15 120.893 0.300 . 1 . . . . 100 ASN N . 11372 1 469 . 1 1 101 101 THR H H 1 8.058 0.030 . 1 . . . . 101 THR H . 11372 1 470 . 1 1 101 101 THR C C 13 174.298 0.300 . 1 . . . . 101 THR C . 11372 1 471 . 1 1 101 101 THR CA C 13 61.884 0.300 . 1 . . . . 101 THR CA . 11372 1 472 . 1 1 101 101 THR CB C 13 69.753 0.300 . 1 . . . . 101 THR CB . 11372 1 473 . 1 1 101 101 THR N N 15 114.266 0.300 . 1 . . . . 101 THR N . 11372 1 474 . 1 1 102 102 LYS H H 1 8.274 0.030 . 1 . . . . 102 LYS H . 11372 1 475 . 1 1 102 102 LYS C C 13 175.522 0.300 . 1 . . . . 102 LYS C . 11372 1 476 . 1 1 102 102 LYS CA C 13 56.447 0.300 . 1 . . . . 102 LYS CA . 11372 1 477 . 1 1 102 102 LYS CB C 13 32.907 0.300 . 1 . . . . 102 LYS CB . 11372 1 478 . 1 1 102 102 LYS N N 15 124.389 0.300 . 1 . . . . 102 LYS N . 11372 1 479 . 1 1 103 103 GLN H H 1 8.003 0.030 . 1 . . . . 103 GLN H . 11372 1 480 . 1 1 103 103 GLN C C 13 180.509 0.300 . 1 . . . . 103 GLN C . 11372 1 481 . 1 1 103 103 GLN CA C 13 57.266 0.300 . 1 . . . . 103 GLN CA . 11372 1 482 . 1 1 103 103 GLN CB C 13 30.348 0.300 . 1 . . . . 103 GLN CB . 11372 1 483 . 1 1 103 103 GLN N N 15 127.258 0.300 . 1 . . . . 103 GLN N . 11372 1 stop_ save_