data_11371 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11371 _Entry.Title ; Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, D131A 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 . . . 11371 2 K. Kuwasako . . . 11371 3 C. Abe . . . 11371 4 K. Tsuda . . . 11371 5 M. Inoue . . . 11371 6 T. Terada . . . 11371 7 M. Shirouzu . . . 11371 8 N. Kobayashi . . . 11371 9 T. Kigawa . . . 11371 10 S. Taguchi . . . 11371 11 P. Guntert . . . 11371 12 Y. Hayashizaki . . . 11371 13 A. Tanaka . . . 11371 14 Y. Muto . . . 11371 15 S. Yokoyama . . . 11371 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)' . 11371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 11371 '15N chemical shifts' 93 11371 '1H chemical shifts' 93 11371 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 . 11371 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' 11371 BMRB 11372 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, K138A mutant' 11371 BMRB 11373 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, T134A mutant' 11371 BMRB 11374 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (CCCCC)' 11371 BMRB 11375 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (UUUUU)' 11371 BMRB 11376 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1' 11371 PDB 2RNE 'BMRB Entry Tracking System' 11371 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11371 _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 . . . 11371 1 2 Mari Takahashi . . . 11371 1 3 Naoya Tochio . . . 11371 1 4 Chikage Abe . . . 11371 1 5 Kengo Tsuda . . . 11371 1 6 Makoto Inoue . . . 11371 1 7 Takaho Terada . . . 11371 1 8 Mikako Shirouzu . . . 11371 1 9 Naohiro Kobayashi . . . 11371 1 10 Takanori Kigawa . . . 11371 1 11 Seiichi Taguchi . . . 11371 1 12 Akiko Tanaka . . . 11371 1 13 Yoshihide Hayashizaki . . . 11371 1 14 Peter Guntert . . . 11371 1 15 Yutaka Muto . . . 11371 1 16 Shigeyuki Yokoyama . . . 11371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11371 _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 D131A mutant' 1 $entity_1 A . yes native no no . . . 11371 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 . . . . . . 11371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM domain D131A 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 VVKAMATGKSKGYGFVSFFN 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 1.72e-55 . . . . 11371 1 2 no BMRB 11372 . "RRM domain K138A mutant" . . . . . 100.00 103 98.06 98.06 1.99e-67 . . . . 11371 1 3 no BMRB 11373 . "RRM domain T134A mutant" . . . . . 100.00 103 98.06 98.06 1.50e-67 . . . . 11371 1 4 no BMRB 11374 . "RRM domain" . . . . . 100.00 115 99.03 99.03 2.25e-68 . . . . 11371 1 5 no BMRB 11375 . "RRM domain" . . . . . 100.00 115 99.03 99.03 2.25e-68 . . . . 11371 1 6 no BMRB 11376 . "RRM domain" . . . . . 100.00 115 99.03 99.03 2.25e-68 . . . . 11371 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 2.25e-68 . . . . 11371 1 8 no PDB 2RNE . "Solution Structure Of The Second Rna Recognition Motif (Rrm) Of Tia-1" . . . . . 100.00 115 99.03 99.03 2.25e-68 . . . . 11371 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 1.70e-67 . . . . 11371 1 10 no REF XP_005430921 . "PREDICTED: nucleolysin TIA-1 isoform p40 [Geospiza fortis]" . . . . . 99.03 367 98.04 99.02 5.55e-64 . . . . 11371 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain D131A mutant' . 11371 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 . 11371 1 2 . GLN . 11371 1 3 . LYS . 11371 1 4 . LYS . 11371 1 5 . ASP . 11371 1 6 . THR . 11371 1 7 . SER . 11371 1 8 . ASN . 11371 1 9 . HIS . 11371 1 10 . PHE . 11371 1 11 . HIS . 11371 1 12 . VAL . 11371 1 13 . PHE . 11371 1 14 . VAL . 11371 1 15 . GLY . 11371 1 16 . ASP . 11371 1 17 . LEU . 11371 1 18 . SER . 11371 1 19 . PRO . 11371 1 20 . GLU . 11371 1 21 . ILE . 11371 1 22 . THR . 11371 1 23 . THR . 11371 1 24 . GLU . 11371 1 25 . ASP . 11371 1 26 . ILE . 11371 1 27 . LYS . 11371 1 28 . ALA . 11371 1 29 . ALA . 11371 1 30 . PHE . 11371 1 31 . ALA . 11371 1 32 . PRO . 11371 1 33 . PHE . 11371 1 34 . GLY . 11371 1 35 . ARG . 11371 1 36 . ILE . 11371 1 37 . SER . 11371 1 38 . ASP . 11371 1 39 . ALA . 11371 1 40 . ARG . 11371 1 41 . VAL . 11371 1 42 . VAL . 11371 1 43 . LYS . 11371 1 44 . ALA . 11371 1 45 . MET . 11371 1 46 . ALA . 11371 1 47 . THR . 11371 1 48 . GLY . 11371 1 49 . LYS . 11371 1 50 . SER . 11371 1 51 . LYS . 11371 1 52 . GLY . 11371 1 53 . TYR . 11371 1 54 . GLY . 11371 1 55 . PHE . 11371 1 56 . VAL . 11371 1 57 . SER . 11371 1 58 . PHE . 11371 1 59 . PHE . 11371 1 60 . ASN . 11371 1 61 . LYS . 11371 1 62 . TRP . 11371 1 63 . ASP . 11371 1 64 . ALA . 11371 1 65 . GLU . 11371 1 66 . ASN . 11371 1 67 . ALA . 11371 1 68 . ILE . 11371 1 69 . GLN . 11371 1 70 . GLN . 11371 1 71 . MET . 11371 1 72 . GLY . 11371 1 73 . GLY . 11371 1 74 . GLN . 11371 1 75 . TRP . 11371 1 76 . LEU . 11371 1 77 . GLY . 11371 1 78 . GLY . 11371 1 79 . ARG . 11371 1 80 . GLN . 11371 1 81 . ILE . 11371 1 82 . ARG . 11371 1 83 . THR . 11371 1 84 . ASN . 11371 1 85 . TRP . 11371 1 86 . ALA . 11371 1 87 . THR . 11371 1 88 . ARG . 11371 1 89 . LYS . 11371 1 90 . PRO . 11371 1 91 . PRO . 11371 1 92 . ALA . 11371 1 93 . PRO . 11371 1 94 . LYS . 11371 1 95 . SER . 11371 1 96 . THR . 11371 1 97 . TYR . 11371 1 98 . GLU . 11371 1 99 . SER . 11371 1 100 . ASN . 11371 1 101 . THR . 11371 1 102 . LYS . 11371 1 103 . GLN . 11371 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 11371 1 . GLN 2 2 11371 1 . LYS 3 3 11371 1 . LYS 4 4 11371 1 . ASP 5 5 11371 1 . THR 6 6 11371 1 . SER 7 7 11371 1 . ASN 8 8 11371 1 . HIS 9 9 11371 1 . PHE 10 10 11371 1 . HIS 11 11 11371 1 . VAL 12 12 11371 1 . PHE 13 13 11371 1 . VAL 14 14 11371 1 . GLY 15 15 11371 1 . ASP 16 16 11371 1 . LEU 17 17 11371 1 . SER 18 18 11371 1 . PRO 19 19 11371 1 . GLU 20 20 11371 1 . ILE 21 21 11371 1 . THR 22 22 11371 1 . THR 23 23 11371 1 . GLU 24 24 11371 1 . ASP 25 25 11371 1 . ILE 26 26 11371 1 . LYS 27 27 11371 1 . ALA 28 28 11371 1 . ALA 29 29 11371 1 . PHE 30 30 11371 1 . ALA 31 31 11371 1 . PRO 32 32 11371 1 . PHE 33 33 11371 1 . GLY 34 34 11371 1 . ARG 35 35 11371 1 . ILE 36 36 11371 1 . SER 37 37 11371 1 . ASP 38 38 11371 1 . ALA 39 39 11371 1 . ARG 40 40 11371 1 . VAL 41 41 11371 1 . VAL 42 42 11371 1 . LYS 43 43 11371 1 . ALA 44 44 11371 1 . MET 45 45 11371 1 . ALA 46 46 11371 1 . THR 47 47 11371 1 . GLY 48 48 11371 1 . LYS 49 49 11371 1 . SER 50 50 11371 1 . LYS 51 51 11371 1 . GLY 52 52 11371 1 . TYR 53 53 11371 1 . GLY 54 54 11371 1 . PHE 55 55 11371 1 . VAL 56 56 11371 1 . SER 57 57 11371 1 . PHE 58 58 11371 1 . PHE 59 59 11371 1 . ASN 60 60 11371 1 . LYS 61 61 11371 1 . TRP 62 62 11371 1 . ASP 63 63 11371 1 . ALA 64 64 11371 1 . GLU 65 65 11371 1 . ASN 66 66 11371 1 . ALA 67 67 11371 1 . ILE 68 68 11371 1 . GLN 69 69 11371 1 . GLN 70 70 11371 1 . MET 71 71 11371 1 . GLY 72 72 11371 1 . GLY 73 73 11371 1 . GLN 74 74 11371 1 . TRP 75 75 11371 1 . LEU 76 76 11371 1 . GLY 77 77 11371 1 . GLY 78 78 11371 1 . ARG 79 79 11371 1 . GLN 80 80 11371 1 . ILE 81 81 11371 1 . ARG 82 82 11371 1 . THR 83 83 11371 1 . ASN 84 84 11371 1 . TRP 85 85 11371 1 . ALA 86 86 11371 1 . THR 87 87 11371 1 . ARG 88 88 11371 1 . LYS 89 89 11371 1 . PRO 90 90 11371 1 . PRO 91 91 11371 1 . ALA 92 92 11371 1 . PRO 93 93 11371 1 . LYS 94 94 11371 1 . SER 95 95 11371 1 . THR 96 96 11371 1 . TYR 97 97 11371 1 . GLU 98 98 11371 1 . SER 99 99 11371 1 . ASN 100 100 11371 1 . THR 101 101 11371 1 . LYS 102 102 11371 1 . GLN 103 103 11371 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 11371 _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 . . . . . . . . . . . . . . . . . . . . . 11371 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 11371 _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 . . . . . . . . . . . . . . . . . . . . . . . 11371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11371 _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 D131A mutant' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 11371 1 2 TRIS '[U-99% 2H]' . . . . . buffer 20 . . mM . . . . 11371 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11371 1 4 DTT '[U-98% 2H]' . . . . . salt 1 . . mM . . . . 11371 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11371 1 6 H2O . . . . . . solvent 90 . . % . . . . 11371 1 7 D2O . . . . . . solvent 10 . . % . . . . 11371 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 11371 _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 11371 1 pH 7.0 0.05 pH 11371 1 pressure 1 0.001 atm 11371 1 temperature 298 0.1 K 11371 1 stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 11371 _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' . . 11371 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11371 1 'structure solution' 11371 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 11371 _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 11371 _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 . . . 11371 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 11371 _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 . . . . . . . . . . . . . . . . 11371 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11371 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 11371 _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 . . . . . . . . . 11371 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11371 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11371 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 11371 _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 11371 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11371 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 . . 11371 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 13 175.994 0.300 . 1 . . . . 2 GLN C . 11371 1 2 . 1 1 2 2 GLN CA C 13 55.775 0.300 . 1 . . . . 2 GLN CA . 11371 1 3 . 1 1 2 2 GLN CB C 13 30.106 0.300 . 1 . . . . 2 GLN CB . 11371 1 4 . 1 1 3 3 LYS H H 1 8.533 0.030 . 1 . . . . 3 LYS H . 11371 1 5 . 1 1 3 3 LYS C C 13 176.444 0.300 . 1 . . . . 3 LYS C . 11371 1 6 . 1 1 3 3 LYS CA C 13 56.382 0.300 . 1 . . . . 3 LYS CA . 11371 1 7 . 1 1 3 3 LYS CB C 13 33.077 0.300 . 1 . . . . 3 LYS CB . 11371 1 8 . 1 1 3 3 LYS N N 15 123.810 0.300 . 1 . . . . 3 LYS N . 11371 1 9 . 1 1 4 4 LYS H H 1 8.457 0.030 . 1 . . . . 4 LYS H . 11371 1 10 . 1 1 4 4 LYS C C 13 175.973 0.300 . 1 . . . . 4 LYS C . 11371 1 11 . 1 1 4 4 LYS CA C 13 56.236 0.300 . 1 . . . . 4 LYS CA . 11371 1 12 . 1 1 4 4 LYS CB C 13 33.129 0.300 . 1 . . . . 4 LYS CB . 11371 1 13 . 1 1 4 4 LYS N N 15 123.655 0.300 . 1 . . . . 4 LYS N . 11371 1 14 . 1 1 5 5 ASP H H 1 8.437 0.030 . 1 . . . . 5 ASP H . 11371 1 15 . 1 1 5 5 ASP C C 13 176.757 0.300 . 1 . . . . 5 ASP C . 11371 1 16 . 1 1 5 5 ASP CA C 13 54.184 0.300 . 1 . . . . 5 ASP CA . 11371 1 17 . 1 1 5 5 ASP CB C 13 41.259 0.300 . 1 . . . . 5 ASP CB . 11371 1 18 . 1 1 5 5 ASP N N 15 122.429 0.300 . 1 . . . . 5 ASP N . 11371 1 19 . 1 1 6 6 THR H H 1 8.222 0.030 . 1 . . . . 6 THR H . 11371 1 20 . 1 1 6 6 THR C C 13 175.539 0.300 . 1 . . . . 6 THR C . 11371 1 21 . 1 1 6 6 THR CA C 13 61.144 0.300 . 1 . . . . 6 THR CA . 11371 1 22 . 1 1 6 6 THR CB C 13 69.191 0.300 . 1 . . . . 6 THR CB . 11371 1 23 . 1 1 6 6 THR N N 15 114.849 0.300 . 1 . . . . 6 THR N . 11371 1 24 . 1 1 7 7 SER H H 1 8.311 0.030 . 1 . . . . 7 SER H . 11371 1 25 . 1 1 7 7 SER C C 13 174.477 0.300 . 1 . . . . 7 SER C . 11371 1 26 . 1 1 7 7 SER CA C 13 60.144 0.300 . 1 . . . . 7 SER CA . 11371 1 27 . 1 1 7 7 SER CB C 13 63.387 0.300 . 1 . . . . 7 SER CB . 11371 1 28 . 1 1 7 7 SER N N 15 118.739 0.300 . 1 . . . . 7 SER N . 11371 1 29 . 1 1 8 8 ASN H H 1 8.252 0.030 . 1 . . . . 8 ASN H . 11371 1 30 . 1 1 8 8 ASN C C 13 174.169 0.300 . 1 . . . . 8 ASN C . 11371 1 31 . 1 1 8 8 ASN CA C 13 52.866 0.300 . 1 . . . . 8 ASN CA . 11371 1 32 . 1 1 8 8 ASN CB C 13 38.705 0.300 . 1 . . . . 8 ASN CB . 11371 1 33 . 1 1 8 8 ASN N N 15 119.472 0.300 . 1 . . . . 8 ASN N . 11371 1 34 . 1 1 9 9 HIS H H 1 7.393 0.030 . 1 . . . . 9 HIS H . 11371 1 35 . 1 1 9 9 HIS C C 13 172.238 0.300 . 1 . . . . 9 HIS C . 11371 1 36 . 1 1 9 9 HIS CA C 13 53.915 0.300 . 1 . . . . 9 HIS CA . 11371 1 37 . 1 1 9 9 HIS CB C 13 32.206 0.300 . 1 . . . . 9 HIS CB . 11371 1 38 . 1 1 9 9 HIS N N 15 119.150 0.300 . 1 . . . . 9 HIS N . 11371 1 39 . 1 1 10 10 PHE H H 1 8.368 0.030 . 1 . . . . 10 PHE H . 11371 1 40 . 1 1 10 10 PHE C C 13 175.087 0.300 . 1 . . . . 10 PHE C . 11371 1 41 . 1 1 10 10 PHE CA C 13 58.434 0.300 . 1 . . . . 10 PHE CA . 11371 1 42 . 1 1 10 10 PHE CB C 13 40.842 0.300 . 1 . . . . 10 PHE CB . 11371 1 43 . 1 1 10 10 PHE N N 15 117.509 0.300 . 1 . . . . 10 PHE N . 11371 1 44 . 1 1 11 11 HIS H H 1 8.839 0.030 . 1 . . . . 11 HIS H . 11371 1 45 . 1 1 11 11 HIS C C 13 174.253 0.300 . 1 . . . . 11 HIS C . 11371 1 46 . 1 1 11 11 HIS CA C 13 56.602 0.300 . 1 . . . . 11 HIS CA . 11371 1 47 . 1 1 11 11 HIS CB C 13 33.233 0.300 . 1 . . . . 11 HIS CB . 11371 1 48 . 1 1 11 11 HIS N N 15 124.319 0.300 . 1 . . . . 11 HIS N . 11371 1 49 . 1 1 12 12 VAL H H 1 9.776 0.030 . 1 . . . . 12 VAL H . 11371 1 50 . 1 1 12 12 VAL C C 13 175.278 0.300 . 1 . . . . 12 VAL C . 11371 1 51 . 1 1 12 12 VAL CA C 13 62.219 0.300 . 1 . . . . 12 VAL CA . 11371 1 52 . 1 1 12 12 VAL CB C 13 33.915 0.300 . 1 . . . . 12 VAL CB . 11371 1 53 . 1 1 12 12 VAL N N 15 126.476 0.300 . 1 . . . . 12 VAL N . 11371 1 54 . 1 1 13 13 PHE H H 1 9.132 0.030 . 1 . . . . 13 PHE H . 11371 1 55 . 1 1 13 13 PHE C C 13 172.825 0.300 . 1 . . . . 13 PHE C . 11371 1 56 . 1 1 13 13 PHE CA C 13 57.285 0.300 . 1 . . . . 13 PHE CA . 11371 1 57 . 1 1 13 13 PHE CB C 13 40.841 0.300 . 1 . . . . 13 PHE CB . 11371 1 58 . 1 1 13 13 PHE N N 15 127.970 0.300 . 1 . . . . 13 PHE N . 11371 1 59 . 1 1 14 14 VAL H H 1 7.824 0.030 . 1 . . . . 14 VAL H . 11371 1 60 . 1 1 14 14 VAL C C 13 173.619 0.300 . 1 . . . . 14 VAL C . 11371 1 61 . 1 1 14 14 VAL CA C 13 59.606 0.300 . 1 . . . . 14 VAL CA . 11371 1 62 . 1 1 14 14 VAL CB C 13 32.660 0.300 . 1 . . . . 14 VAL CB . 11371 1 63 . 1 1 14 14 VAL N N 15 126.964 0.300 . 1 . . . . 14 VAL N . 11371 1 64 . 1 1 15 15 GLY H H 1 8.796 0.030 . 1 . . . . 15 GLY H . 11371 1 65 . 1 1 15 15 GLY C C 13 172.331 0.300 . 1 . . . . 15 GLY C . 11371 1 66 . 1 1 15 15 GLY CA C 13 43.489 0.300 . 1 . . . . 15 GLY CA . 11371 1 67 . 1 1 15 15 GLY N N 15 111.361 0.300 . 1 . . . . 15 GLY N . 11371 1 68 . 1 1 16 16 ASP H H 1 8.406 0.030 . 1 . . . . 16 ASP H . 11371 1 69 . 1 1 16 16 ASP C C 13 174.011 0.300 . 1 . . . . 16 ASP C . 11371 1 70 . 1 1 16 16 ASP CA C 13 55.524 0.300 . 1 . . . . 16 ASP CA . 11371 1 71 . 1 1 16 16 ASP CB C 13 38.861 0.300 . 1 . . . . 16 ASP CB . 11371 1 72 . 1 1 16 16 ASP N N 15 115.421 0.300 . 1 . . . . 16 ASP N . 11371 1 73 . 1 1 17 17 LEU C C 13 178.287 0.300 . 1 . . . . 17 LEU C . 11371 1 74 . 1 1 17 17 LEU CA C 13 53.194 0.300 . 1 . . . . 17 LEU CA . 11371 1 75 . 1 1 17 17 LEU CB C 13 43.030 0.300 . 1 . . . . 17 LEU CB . 11371 1 76 . 1 1 18 18 SER H H 1 8.887 0.030 . 1 . . . . 18 SER H . 11371 1 77 . 1 1 18 18 SER C C 13 174.703 0.300 . 1 . . . . 18 SER C . 11371 1 78 . 1 1 18 18 SER CA C 13 56.993 0.300 . 1 . . . . 18 SER CA . 11371 1 79 . 1 1 18 18 SER CB C 13 63.042 0.300 . 1 . . . . 18 SER CB . 11371 1 80 . 1 1 18 18 SER N N 15 120.856 0.300 . 1 . . . . 18 SER N . 11371 1 81 . 1 1 19 19 PRO C C 13 176.260 0.300 . 1 . . . . 19 PRO C . 11371 1 82 . 1 1 19 19 PRO CA C 13 65.467 0.300 . 1 . . . . 19 PRO CA . 11371 1 83 . 1 1 19 19 PRO CB C 13 31.982 0.300 . 1 . . . . 19 PRO CB . 11371 1 84 . 1 1 20 20 GLU H H 1 8.913 0.030 . 1 . . . . 20 GLU H . 11371 1 85 . 1 1 20 20 GLU C C 13 176.757 0.300 . 1 . . . . 20 GLU C . 11371 1 86 . 1 1 20 20 GLU CA C 13 56.651 0.300 . 1 . . . . 20 GLU CA . 11371 1 87 . 1 1 20 20 GLU CB C 13 29.116 0.300 . 1 . . . . 20 GLU CB . 11371 1 88 . 1 1 20 20 GLU N N 15 116.021 0.300 . 1 . . . . 20 GLU N . 11371 1 89 . 1 1 21 21 ILE H H 1 7.334 0.030 . 1 . . . . 21 ILE H . 11371 1 90 . 1 1 21 21 ILE C C 13 176.899 0.300 . 1 . . . . 21 ILE C . 11371 1 91 . 1 1 21 21 ILE CA C 13 59.435 0.300 . 1 . . . . 21 ILE CA . 11371 1 92 . 1 1 21 21 ILE CB C 13 35.213 0.300 . 1 . . . . 21 ILE CB . 11371 1 93 . 1 1 21 21 ILE N N 15 121.577 0.300 . 1 . . . . 21 ILE N . 11371 1 94 . 1 1 22 22 THR H H 1 9.366 0.030 . 1 . . . . 22 THR H . 11371 1 95 . 1 1 22 22 THR C C 13 176.276 0.300 . 1 . . . . 22 THR C . 11371 1 96 . 1 1 22 22 THR CA C 13 60.046 0.300 . 1 . . . . 22 THR CA . 11371 1 97 . 1 1 22 22 THR CB C 13 73.657 0.300 . 1 . . . . 22 THR CB . 11371 1 98 . 1 1 22 22 THR N N 15 120.890 0.300 . 1 . . . . 22 THR N . 11371 1 99 . 1 1 23 23 THR H H 1 9.003 0.030 . 1 . . . . 23 THR H . 11371 1 100 . 1 1 23 23 THR C C 13 175.474 0.300 . 1 . . . . 23 THR C . 11371 1 101 . 1 1 23 23 THR CA C 13 66.957 0.300 . 1 . . . . 23 THR CA . 11371 1 102 . 1 1 23 23 THR CB C 13 68.983 0.300 . 1 . . . . 23 THR CB . 11371 1 103 . 1 1 23 23 THR N N 15 118.103 0.300 . 1 . . . . 23 THR N . 11371 1 104 . 1 1 24 24 GLU H H 1 8.399 0.030 . 1 . . . . 24 GLU H . 11371 1 105 . 1 1 24 24 GLU C C 13 179.186 0.300 . 1 . . . . 24 GLU C . 11371 1 106 . 1 1 24 24 GLU CA C 13 60.436 0.300 . 1 . . . . 24 GLU CA . 11371 1 107 . 1 1 24 24 GLU CB C 13 28.595 0.300 . 1 . . . . 24 GLU CB . 11371 1 108 . 1 1 24 24 GLU N N 15 119.972 0.300 . 1 . . . . 24 GLU N . 11371 1 109 . 1 1 25 25 ASP H H 1 7.708 0.030 . 1 . . . . 25 ASP H . 11371 1 110 . 1 1 25 25 ASP C C 13 179.813 0.300 . 1 . . . . 25 ASP C . 11371 1 111 . 1 1 25 25 ASP CA C 13 57.505 0.300 . 1 . . . . 25 ASP CA . 11371 1 112 . 1 1 25 25 ASP CB C 13 41.675 0.300 . 1 . . . . 25 ASP CB . 11371 1 113 . 1 1 25 25 ASP N N 15 120.119 0.300 . 1 . . . . 25 ASP N . 11371 1 114 . 1 1 26 26 ILE H H 1 7.890 0.030 . 1 . . . . 26 ILE H . 11371 1 115 . 1 1 26 26 ILE C C 13 177.464 0.300 . 1 . . . . 26 ILE C . 11371 1 116 . 1 1 26 26 ILE CA C 13 64.221 0.300 . 1 . . . . 26 ILE CA . 11371 1 117 . 1 1 26 26 ILE CB C 13 37.142 0.300 . 1 . . . . 26 ILE CB . 11371 1 118 . 1 1 26 26 ILE N N 15 118.420 0.300 . 1 . . . . 26 ILE N . 11371 1 119 . 1 1 27 27 LYS H H 1 8.285 0.030 . 1 . . . . 27 LYS H . 11371 1 120 . 1 1 27 27 LYS C C 13 177.780 0.300 . 1 . . . . 27 LYS C . 11371 1 121 . 1 1 27 27 LYS CA C 13 60.998 0.300 . 1 . . . . 27 LYS CA . 11371 1 122 . 1 1 27 27 LYS CB C 13 32.139 0.300 . 1 . . . . 27 LYS CB . 11371 1 123 . 1 1 27 27 LYS N N 15 121.557 0.300 . 1 . . . . 27 LYS N . 11371 1 124 . 1 1 28 28 ALA H H 1 7.759 0.030 . 1 . . . . 28 ALA H . 11371 1 125 . 1 1 28 28 ALA C C 13 180.283 0.300 . 1 . . . . 28 ALA C . 11371 1 126 . 1 1 28 28 ALA CA C 13 54.843 0.300 . 1 . . . . 28 ALA CA . 11371 1 127 . 1 1 28 28 ALA CB C 13 18.225 0.300 . 1 . . . . 28 ALA CB . 11371 1 128 . 1 1 28 28 ALA N N 15 118.306 0.300 . 1 . . . . 28 ALA N . 11371 1 129 . 1 1 29 29 ALA H H 1 7.814 0.030 . 1 . . . . 29 ALA H . 11371 1 130 . 1 1 29 29 ALA C C 13 177.793 0.300 . 1 . . . . 29 ALA C . 11371 1 131 . 1 1 29 29 ALA CA C 13 53.940 0.300 . 1 . . . . 29 ALA CA . 11371 1 132 . 1 1 29 29 ALA CB C 13 18.931 0.300 . 1 . . . . 29 ALA CB . 11371 1 133 . 1 1 29 29 ALA N N 15 118.004 0.300 . 1 . . . . 29 ALA N . 11371 1 134 . 1 1 30 30 PHE H H 1 7.967 0.030 . 1 . . . . 30 PHE H . 11371 1 135 . 1 1 30 30 PHE C C 13 175.416 0.300 . 1 . . . . 30 PHE C . 11371 1 136 . 1 1 30 30 PHE CA C 13 59.532 0.300 . 1 . . . . 30 PHE CA . 11371 1 137 . 1 1 30 30 PHE CB C 13 40.321 0.300 . 1 . . . . 30 PHE CB . 11371 1 138 . 1 1 30 30 PHE N N 15 112.047 0.300 . 1 . . . . 30 PHE N . 11371 1 139 . 1 1 31 31 ALA H H 1 8.049 0.030 . 1 . . . . 31 ALA H . 11371 1 140 . 1 1 31 31 ALA C C 13 176.379 0.300 . 1 . . . . 31 ALA C . 11371 1 141 . 1 1 31 31 ALA CA C 13 55.720 0.300 . 1 . . . . 31 ALA CA . 11371 1 142 . 1 1 31 31 ALA CB C 13 16.765 0.300 . 1 . . . . 31 ALA CB . 11371 1 143 . 1 1 31 31 ALA N N 15 125.067 0.300 . 1 . . . . 31 ALA N . 11371 1 144 . 1 1 32 32 PRO C C 13 177.374 0.300 . 1 . . . . 32 PRO C . 11371 1 145 . 1 1 32 32 PRO CA C 13 65.175 0.300 . 1 . . . . 32 PRO CA . 11371 1 146 . 1 1 32 32 PRO CB C 13 31.461 0.300 . 1 . . . . 32 PRO CB . 11371 1 147 . 1 1 33 33 PHE H H 1 7.699 0.030 . 1 . . . . 33 PHE H . 11371 1 148 . 1 1 33 33 PHE C C 13 174.558 0.300 . 1 . . . . 33 PHE C . 11371 1 149 . 1 1 33 33 PHE CA C 13 59.508 0.300 . 1 . . . . 33 PHE CA . 11371 1 150 . 1 1 33 33 PHE CB C 13 39.018 0.300 . 1 . . . . 33 PHE CB . 11371 1 151 . 1 1 33 33 PHE N N 15 112.643 0.300 . 1 . . . . 33 PHE N . 11371 1 152 . 1 1 34 34 GLY H H 1 7.600 0.030 . 1 . . . . 34 GLY H . 11371 1 153 . 1 1 34 34 GLY C C 13 171.592 0.300 . 1 . . . . 34 GLY C . 11371 1 154 . 1 1 34 34 GLY CA C 13 44.383 0.300 . 1 . . . . 34 GLY CA . 11371 1 155 . 1 1 34 34 GLY N N 15 104.638 0.300 . 1 . . . . 34 GLY N . 11371 1 156 . 1 1 35 35 ARG H H 1 8.243 0.030 . 1 . . . . 35 ARG H . 11371 1 157 . 1 1 35 35 ARG C C 13 176.972 0.300 . 1 . . . . 35 ARG C . 11371 1 158 . 1 1 35 35 ARG CA C 13 57.897 0.300 . 1 . . . . 35 ARG CA . 11371 1 159 . 1 1 35 35 ARG CB C 13 31.044 0.300 . 1 . . . . 35 ARG CB . 11371 1 160 . 1 1 35 35 ARG N N 15 117.026 0.300 . 1 . . . . 35 ARG N . 11371 1 161 . 1 1 36 36 ILE H H 1 8.507 0.030 . 1 . . . . 36 ILE H . 11371 1 162 . 1 1 36 36 ILE C C 13 176.743 0.300 . 1 . . . . 36 ILE C . 11371 1 163 . 1 1 36 36 ILE CA C 13 60.412 0.300 . 1 . . . . 36 ILE CA . 11371 1 164 . 1 1 36 36 ILE CB C 13 40.790 0.300 . 1 . . . . 36 ILE CB . 11371 1 165 . 1 1 36 36 ILE N N 15 127.973 0.300 . 1 . . . . 36 ILE N . 11371 1 166 . 1 1 37 37 SER H H 1 8.843 0.030 . 1 . . . . 37 SER H . 11371 1 167 . 1 1 37 37 SER C C 13 174.613 0.300 . 1 . . . . 37 SER C . 11371 1 168 . 1 1 37 37 SER CA C 13 57.995 0.300 . 1 . . . . 37 SER CA . 11371 1 169 . 1 1 37 37 SER CB C 13 63.050 0.300 . 1 . . . . 37 SER CB . 11371 1 170 . 1 1 37 37 SER N N 15 123.260 0.300 . 1 . . . . 37 SER N . 11371 1 171 . 1 1 38 38 ASP H H 1 7.271 0.030 . 1 . . . . 38 ASP H . 11371 1 172 . 1 1 38 38 ASP C C 13 172.760 0.300 . 1 . . . . 38 ASP C . 11371 1 173 . 1 1 38 38 ASP CA C 13 53.794 0.300 . 1 . . . . 38 ASP CA . 11371 1 174 . 1 1 38 38 ASP CB C 13 43.708 0.300 . 1 . . . . 38 ASP CB . 11371 1 175 . 1 1 38 38 ASP N N 15 119.571 0.300 . 1 . . . . 38 ASP N . 11371 1 176 . 1 1 39 39 ALA H H 1 7.971 0.030 . 1 . . . . 39 ALA H . 11371 1 177 . 1 1 39 39 ALA C C 13 175.238 0.300 . 1 . . . . 39 ALA C . 11371 1 178 . 1 1 39 39 ALA CA C 13 51.693 0.300 . 1 . . . . 39 ALA CA . 11371 1 179 . 1 1 39 39 ALA CB C 13 22.602 0.300 . 1 . . . . 39 ALA CB . 11371 1 180 . 1 1 39 39 ALA N N 15 121.400 0.300 . 1 . . . . 39 ALA N . 11371 1 181 . 1 1 40 40 ARG H H 1 8.642 0.030 . 1 . . . . 40 ARG H . 11371 1 182 . 1 1 40 40 ARG C C 13 174.267 0.300 . 1 . . . . 40 ARG C . 11371 1 183 . 1 1 40 40 ARG CA C 13 55.772 0.300 . 1 . . . . 40 ARG CA . 11371 1 184 . 1 1 40 40 ARG CB C 13 33.129 0.300 . 1 . . . . 40 ARG CB . 11371 1 185 . 1 1 40 40 ARG N N 15 115.941 0.300 . 1 . . . . 40 ARG N . 11371 1 186 . 1 1 41 41 VAL H H 1 7.681 0.030 . 1 . . . . 41 VAL H . 11371 1 187 . 1 1 41 41 VAL C C 13 175.716 0.300 . 1 . . . . 41 VAL C . 11371 1 188 . 1 1 41 41 VAL CA C 13 62.927 0.300 . 1 . . . . 41 VAL CA . 11371 1 189 . 1 1 41 41 VAL CB C 13 32.985 0.300 . 1 . . . . 41 VAL CB . 11371 1 190 . 1 1 41 41 VAL N N 15 123.134 0.300 . 1 . . . . 41 VAL N . 11371 1 191 . 1 1 42 42 VAL H H 1 8.518 0.030 . 1 . . . . 42 VAL H . 11371 1 192 . 1 1 42 42 VAL C C 13 174.160 0.300 . 1 . . . . 42 VAL C . 11371 1 193 . 1 1 42 42 VAL CA C 13 63.862 0.300 . 1 . . . . 42 VAL CA . 11371 1 194 . 1 1 42 42 VAL CB C 13 30.893 0.300 . 1 . . . . 42 VAL CB . 11371 1 195 . 1 1 42 42 VAL N N 15 130.219 0.300 . 1 . . . . 42 VAL N . 11371 1 196 . 1 1 43 43 LYS H H 1 8.162 0.030 . 1 . . . . 43 LYS H . 11371 1 197 . 1 1 43 43 LYS C C 13 176.211 0.300 . 1 . . . . 43 LYS C . 11371 1 198 . 1 1 43 43 LYS CA C 13 54.282 0.300 . 1 . . . . 43 LYS CA . 11371 1 199 . 1 1 43 43 LYS CB C 13 35.161 0.300 . 1 . . . . 43 LYS CB . 11371 1 200 . 1 1 43 43 LYS N N 15 125.490 0.300 . 1 . . . . 43 LYS N . 11371 1 201 . 1 1 44 44 ALA H H 1 8.630 0.030 . 1 . . . . 44 ALA H . 11371 1 202 . 1 1 44 44 ALA C C 13 178.291 0.300 . 1 . . . . 44 ALA C . 11371 1 203 . 1 1 44 44 ALA CA C 13 51.586 0.300 . 1 . . . . 44 ALA CA . 11371 1 204 . 1 1 44 44 ALA CB C 13 18.850 0.300 . 1 . . . . 44 ALA CB . 11371 1 205 . 1 1 44 44 ALA N N 15 125.018 0.300 . 1 . . . . 44 ALA N . 11371 1 206 . 1 1 46 46 ALA CA C 13 55.075 0.300 . 1 . . . . 46 ALA CA . 11371 1 207 . 1 1 46 46 ALA CB C 13 19.026 0.300 . 1 . . . . 46 ALA CB . 11371 1 208 . 1 1 47 47 THR H H 1 7.135 0.030 . 1 . . . . 47 THR H . 11371 1 209 . 1 1 47 47 THR C C 13 176.020 0.300 . 1 . . . . 47 THR C . 11371 1 210 . 1 1 47 47 THR CA C 13 60.900 0.300 . 1 . . . . 47 THR CA . 11371 1 211 . 1 1 47 47 THR CB C 13 70.918 0.300 . 1 . . . . 47 THR CB . 11371 1 212 . 1 1 47 47 THR N N 15 103.152 0.300 . 1 . . . . 47 THR N . 11371 1 213 . 1 1 48 48 GLY H H 1 8.263 0.030 . 1 . . . . 48 GLY H . 11371 1 214 . 1 1 48 48 GLY C C 13 173.657 0.300 . 1 . . . . 48 GLY C . 11371 1 215 . 1 1 48 48 GLY CA C 13 45.784 0.300 . 1 . . . . 48 GLY CA . 11371 1 216 . 1 1 48 48 GLY N N 15 110.824 0.300 . 1 . . . . 48 GLY N . 11371 1 217 . 1 1 49 49 LYS H H 1 7.755 0.030 . 1 . . . . 49 LYS H . 11371 1 218 . 1 1 49 49 LYS C C 13 176.450 0.300 . 1 . . . . 49 LYS C . 11371 1 219 . 1 1 49 49 LYS CA C 13 55.601 0.300 . 1 . . . . 49 LYS CA . 11371 1 220 . 1 1 49 49 LYS CB C 13 33.546 0.300 . 1 . . . . 49 LYS CB . 11371 1 221 . 1 1 49 49 LYS N N 15 119.158 0.300 . 1 . . . . 49 LYS N . 11371 1 222 . 1 1 50 50 SER H H 1 8.674 0.030 . 1 . . . . 50 SER H . 11371 1 223 . 1 1 50 50 SER C C 13 176.609 0.300 . 1 . . . . 50 SER C . 11371 1 224 . 1 1 50 50 SER CA C 13 58.242 0.300 . 1 . . . . 50 SER CA . 11371 1 225 . 1 1 50 50 SER CB C 13 64.217 0.300 . 1 . . . . 50 SER CB . 11371 1 226 . 1 1 50 50 SER N N 15 115.796 0.300 . 1 . . . . 50 SER N . 11371 1 227 . 1 1 51 51 LYS H H 1 9.157 0.030 . 1 . . . . 51 LYS H . 11371 1 228 . 1 1 51 51 LYS C C 13 177.109 0.300 . 1 . . . . 51 LYS C . 11371 1 229 . 1 1 51 51 LYS CA C 13 56.431 0.300 . 1 . . . . 51 LYS CA . 11371 1 230 . 1 1 51 51 LYS CB C 13 33.025 0.300 . 1 . . . . 51 LYS CB . 11371 1 231 . 1 1 51 51 LYS N N 15 125.306 0.300 . 1 . . . . 51 LYS N . 11371 1 232 . 1 1 52 52 GLY H H 1 9.141 0.030 . 1 . . . . 52 GLY H . 11371 1 233 . 1 1 52 52 GLY C C 13 172.717 0.300 . 1 . . . . 52 GLY C . 11371 1 234 . 1 1 52 52 GLY CA C 13 45.662 0.300 . 1 . . . . 52 GLY CA . 11371 1 235 . 1 1 52 52 GLY N N 15 107.582 0.300 . 1 . . . . 52 GLY N . 11371 1 236 . 1 1 53 53 TYR H H 1 7.220 0.030 . 1 . . . . 53 TYR H . 11371 1 237 . 1 1 53 53 TYR C C 13 172.310 0.300 . 1 . . . . 53 TYR C . 11371 1 238 . 1 1 53 53 TYR CA C 13 55.308 0.300 . 1 . . . . 53 TYR CA . 11371 1 239 . 1 1 53 53 TYR CB C 13 40.425 0.300 . 1 . . . . 53 TYR CB . 11371 1 240 . 1 1 53 53 TYR N N 15 113.435 0.300 . 1 . . . . 53 TYR N . 11371 1 241 . 1 1 54 54 GLY H H 1 8.870 0.030 . 1 . . . . 54 GLY H . 11371 1 242 . 1 1 54 54 GLY C C 13 169.495 0.300 . 1 . . . . 54 GLY C . 11371 1 243 . 1 1 54 54 GLY CA C 13 45.149 0.300 . 1 . . . . 54 GLY CA . 11371 1 244 . 1 1 54 54 GLY N N 15 106.384 0.300 . 1 . . . . 54 GLY N . 11371 1 245 . 1 1 55 55 PHE H H 1 8.486 0.030 . 1 . . . . 55 PHE H . 11371 1 246 . 1 1 55 55 PHE C C 13 174.546 0.300 . 1 . . . . 55 PHE C . 11371 1 247 . 1 1 55 55 PHE CA C 13 55.967 0.300 . 1 . . . . 55 PHE CA . 11371 1 248 . 1 1 55 55 PHE CB C 13 44.515 0.300 . 1 . . . . 55 PHE CB . 11371 1 249 . 1 1 55 55 PHE N N 15 114.086 0.300 . 1 . . . . 55 PHE N . 11371 1 250 . 1 1 56 56 VAL H H 1 8.948 0.030 . 1 . . . . 56 VAL H . 11371 1 251 . 1 1 56 56 VAL C C 13 173.733 0.300 . 1 . . . . 56 VAL C . 11371 1 252 . 1 1 56 56 VAL CA C 13 61.290 0.300 . 1 . . . . 56 VAL CA . 11371 1 253 . 1 1 56 56 VAL CB C 13 35.005 0.300 . 1 . . . . 56 VAL CB . 11371 1 254 . 1 1 56 56 VAL N N 15 120.105 0.300 . 1 . . . . 56 VAL N . 11371 1 255 . 1 1 57 57 SER H H 1 8.742 0.030 . 1 . . . . 57 SER H . 11371 1 256 . 1 1 57 57 SER C C 13 172.786 0.300 . 1 . . . . 57 SER C . 11371 1 257 . 1 1 57 57 SER CA C 13 57.423 0.300 . 1 . . . . 57 SER CA . 11371 1 258 . 1 1 57 57 SER CB C 13 64.189 0.300 . 1 . . . . 57 SER CB . 11371 1 259 . 1 1 57 57 SER N N 15 122.302 0.300 . 1 . . . . 57 SER N . 11371 1 260 . 1 1 58 58 PHE H H 1 9.261 0.030 . 1 . . . . 58 PHE H . 11371 1 261 . 1 1 58 58 PHE C C 13 175.784 0.300 . 1 . . . . 58 PHE C . 11371 1 262 . 1 1 58 58 PHE CA C 13 57.066 0.300 . 1 . . . . 58 PHE CA . 11371 1 263 . 1 1 58 58 PHE CB C 13 42.561 0.300 . 1 . . . . 58 PHE CB . 11371 1 264 . 1 1 58 58 PHE N N 15 122.081 0.300 . 1 . . . . 58 PHE N . 11371 1 265 . 1 1 59 59 PHE H H 1 7.718 0.030 . 1 . . . . 59 PHE H . 11371 1 266 . 1 1 59 59 PHE C C 13 175.844 0.300 . 1 . . . . 59 PHE C . 11371 1 267 . 1 1 59 59 PHE CA C 13 61.389 0.300 . 1 . . . . 59 PHE CA . 11371 1 268 . 1 1 59 59 PHE CB C 13 40.060 0.300 . 1 . . . . 59 PHE CB . 11371 1 269 . 1 1 59 59 PHE N N 15 117.945 0.300 . 1 . . . . 59 PHE N . 11371 1 270 . 1 1 60 60 ASN H H 1 8.649 0.030 . 1 . . . . 60 ASN H . 11371 1 271 . 1 1 60 60 ASN C C 13 174.809 0.300 . 1 . . . . 60 ASN C . 11371 1 272 . 1 1 60 60 ASN CA C 13 51.620 0.300 . 1 . . . . 60 ASN CA . 11371 1 273 . 1 1 60 60 ASN CB C 13 40.737 0.300 . 1 . . . . 60 ASN CB . 11371 1 274 . 1 1 60 60 ASN N N 15 114.173 0.300 . 1 . . . . 60 ASN N . 11371 1 275 . 1 1 61 61 LYS H H 1 8.168 0.030 . 1 . . . . 61 LYS H . 11371 1 276 . 1 1 61 61 LYS C C 13 177.094 0.300 . 1 . . . . 61 LYS C . 11371 1 277 . 1 1 61 61 LYS CA C 13 60.168 0.300 . 1 . . . . 61 LYS CA . 11371 1 278 . 1 1 61 61 LYS CB C 13 32.347 0.300 . 1 . . . . 61 LYS CB . 11371 1 279 . 1 1 61 61 LYS N N 15 126.585 0.300 . 1 . . . . 61 LYS N . 11371 1 280 . 1 1 62 62 TRP H H 1 7.571 0.030 . 1 . . . . 62 TRP H . 11371 1 281 . 1 1 62 62 TRP C C 13 177.868 0.300 . 1 . . . . 62 TRP C . 11371 1 282 . 1 1 62 62 TRP CA C 13 59.508 0.300 . 1 . . . . 62 TRP CA . 11371 1 283 . 1 1 62 62 TRP CB C 13 27.813 0.300 . 1 . . . . 62 TRP CB . 11371 1 284 . 1 1 62 62 TRP N N 15 116.614 0.300 . 1 . . . . 62 TRP N . 11371 1 285 . 1 1 63 63 ASP H H 1 6.880 0.030 . 1 . . . . 63 ASP H . 11371 1 286 . 1 1 63 63 ASP C C 13 176.509 0.300 . 1 . . . . 63 ASP C . 11371 1 287 . 1 1 63 63 ASP CA C 13 56.870 0.300 . 1 . . . . 63 ASP CA . 11371 1 288 . 1 1 63 63 ASP CB C 13 40.685 0.300 . 1 . . . . 63 ASP CB . 11371 1 289 . 1 1 63 63 ASP N N 15 121.286 0.300 . 1 . . . . 63 ASP N . 11371 1 290 . 1 1 64 64 ALA H H 1 6.595 0.030 . 1 . . . . 64 ALA H . 11371 1 291 . 1 1 64 64 ALA C C 13 177.978 0.300 . 1 . . . . 64 ALA C . 11371 1 292 . 1 1 64 64 ALA CA C 13 54.502 0.300 . 1 . . . . 64 ALA CA . 11371 1 293 . 1 1 64 64 ALA CB C 13 19.163 0.300 . 1 . . . . 64 ALA CB . 11371 1 294 . 1 1 64 64 ALA N N 15 119.718 0.300 . 1 . . . . 64 ALA N . 11371 1 295 . 1 1 65 65 GLU H H 1 8.303 0.030 . 1 . . . . 65 GLU H . 11371 1 296 . 1 1 65 65 GLU C C 13 178.936 0.300 . 1 . . . . 65 GLU C . 11371 1 297 . 1 1 65 65 GLU CA C 13 59.654 0.300 . 1 . . . . 65 GLU CA . 11371 1 298 . 1 1 65 65 GLU CB C 13 30.159 0.300 . 1 . . . . 65 GLU CB . 11371 1 299 . 1 1 65 65 GLU N N 15 117.123 0.300 . 1 . . . . 65 GLU N . 11371 1 300 . 1 1 66 66 ASN H H 1 7.921 0.030 . 1 . . . . 66 ASN H . 11371 1 301 . 1 1 66 66 ASN C C 13 176.316 0.300 . 1 . . . . 66 ASN C . 11371 1 302 . 1 1 66 66 ASN CA C 13 55.796 0.300 . 1 . . . . 66 ASN CA . 11371 1 303 . 1 1 66 66 ASN CB C 13 38.463 0.300 . 1 . . . . 66 ASN CB . 11371 1 304 . 1 1 66 66 ASN N N 15 117.954 0.300 . 1 . . . . 66 ASN N . 11371 1 305 . 1 1 67 67 ALA H H 1 7.873 0.030 . 1 . . . . 67 ALA H . 11371 1 306 . 1 1 67 67 ALA C C 13 179.337 0.300 . 1 . . . . 67 ALA C . 11371 1 307 . 1 1 67 67 ALA CA C 13 55.026 0.300 . 1 . . . . 67 ALA CA . 11371 1 308 . 1 1 67 67 ALA CB C 13 18.798 0.300 . 1 . . . . 67 ALA CB . 11371 1 309 . 1 1 67 67 ALA N N 15 121.676 0.300 . 1 . . . . 67 ALA N . 11371 1 310 . 1 1 68 68 ILE H H 1 8.079 0.030 . 1 . . . . 68 ILE H . 11371 1 311 . 1 1 68 68 ILE C C 13 179.105 0.300 . 1 . . . . 68 ILE C . 11371 1 312 . 1 1 68 68 ILE CA C 13 66.444 0.300 . 1 . . . . 68 ILE CA . 11371 1 313 . 1 1 68 68 ILE CB C 13 38.288 0.300 . 1 . . . . 68 ILE CB . 11371 1 314 . 1 1 68 68 ILE N N 15 116.549 0.300 . 1 . . . . 68 ILE N . 11371 1 315 . 1 1 69 69 GLN H H 1 7.628 0.030 . 1 . . . . 69 GLN H . 11371 1 316 . 1 1 69 69 GLN C C 13 178.515 0.300 . 1 . . . . 69 GLN C . 11371 1 317 . 1 1 69 69 GLN CA C 13 58.434 0.300 . 1 . . . . 69 GLN CA . 11371 1 318 . 1 1 69 69 GLN CB C 13 28.751 0.300 . 1 . . . . 69 GLN CB . 11371 1 319 . 1 1 69 69 GLN N N 15 117.146 0.300 . 1 . . . . 69 GLN N . 11371 1 320 . 1 1 70 70 GLN H H 1 8.416 0.030 . 1 . . . . 70 GLN H . 11371 1 321 . 1 1 70 70 GLN C C 13 178.320 0.300 . 1 . . . . 70 GLN C . 11371 1 322 . 1 1 70 70 GLN CA C 13 57.603 0.300 . 1 . . . . 70 GLN CA . 11371 1 323 . 1 1 70 70 GLN CB C 13 29.116 0.300 . 1 . . . . 70 GLN CB . 11371 1 324 . 1 1 70 70 GLN N N 15 114.733 0.300 . 1 . . . . 70 GLN N . 11371 1 325 . 1 1 71 71 MET H H 1 7.690 0.030 . 1 . . . . 71 MET H . 11371 1 326 . 1 1 71 71 MET C C 13 177.412 0.300 . 1 . . . . 71 MET C . 11371 1 327 . 1 1 71 71 MET CA C 13 53.794 0.300 . 1 . . . . 71 MET CA . 11371 1 328 . 1 1 71 71 MET CB C 13 30.836 0.300 . 1 . . . . 71 MET CB . 11371 1 329 . 1 1 71 71 MET N N 15 113.210 0.300 . 1 . . . . 71 MET N . 11371 1 330 . 1 1 72 72 GLY H H 1 7.045 0.030 . 1 . . . . 72 GLY H . 11371 1 331 . 1 1 72 72 GLY C C 13 175.532 0.300 . 1 . . . . 72 GLY C . 11371 1 332 . 1 1 72 72 GLY CA C 13 48.838 0.300 . 1 . . . . 72 GLY CA . 11371 1 333 . 1 1 72 72 GLY N N 15 106.997 0.300 . 1 . . . . 72 GLY N . 11371 1 334 . 1 1 73 73 GLY H H 1 8.450 0.030 . 1 . . . . 73 GLY H . 11371 1 335 . 1 1 73 73 GLY C C 13 174.395 0.300 . 1 . . . . 73 GLY C . 11371 1 336 . 1 1 73 73 GLY CA C 13 45.760 0.300 . 1 . . . . 73 GLY CA . 11371 1 337 . 1 1 73 73 GLY N N 15 115.309 0.300 . 1 . . . . 73 GLY N . 11371 1 338 . 1 1 74 74 GLN H H 1 7.610 0.030 . 1 . . . . 74 GLN H . 11371 1 339 . 1 1 74 74 GLN C C 13 174.950 0.300 . 1 . . . . 74 GLN C . 11371 1 340 . 1 1 74 74 GLN CA C 13 55.186 0.300 . 1 . . . . 74 GLN CA . 11371 1 341 . 1 1 74 74 GLN CB C 13 28.699 0.300 . 1 . . . . 74 GLN CB . 11371 1 342 . 1 1 74 74 GLN N N 15 119.032 0.300 . 1 . . . . 74 GLN N . 11371 1 343 . 1 1 75 75 TRP H H 1 8.623 0.030 . 1 . . . . 75 TRP H . 11371 1 344 . 1 1 75 75 TRP C C 13 176.491 0.300 . 1 . . . . 75 TRP C . 11371 1 345 . 1 1 75 75 TRP CA C 13 57.654 0.300 . 1 . . . . 75 TRP CA . 11371 1 346 . 1 1 75 75 TRP CB C 13 28.999 0.300 . 1 . . . . 75 TRP CB . 11371 1 347 . 1 1 75 75 TRP N N 15 120.954 0.300 . 1 . . . . 75 TRP N . 11371 1 348 . 1 1 76 76 LEU H H 1 8.609 0.030 . 1 . . . . 76 LEU H . 11371 1 349 . 1 1 76 76 LEU C C 13 176.726 0.300 . 1 . . . . 76 LEU C . 11371 1 350 . 1 1 76 76 LEU CA C 13 54.814 0.300 . 1 . . . . 76 LEU CA . 11371 1 351 . 1 1 76 76 LEU CB C 13 43.935 0.300 . 1 . . . . 76 LEU CB . 11371 1 352 . 1 1 76 76 LEU N N 15 125.830 0.300 . 1 . . . . 76 LEU N . 11371 1 353 . 1 1 77 77 GLY H H 1 9.338 0.030 . 1 . . . . 77 GLY H . 11371 1 354 . 1 1 77 77 GLY C C 13 175.645 0.300 . 1 . . . . 77 GLY C . 11371 1 355 . 1 1 77 77 GLY CA C 13 47.252 0.300 . 1 . . . . 77 GLY CA . 11371 1 356 . 1 1 77 77 GLY N N 15 115.406 0.300 . 1 . . . . 77 GLY N . 11371 1 357 . 1 1 78 78 GLY H H 1 8.758 0.030 . 1 . . . . 78 GLY H . 11371 1 358 . 1 1 78 78 GLY C C 13 173.677 0.300 . 1 . . . . 78 GLY C . 11371 1 359 . 1 1 78 78 GLY CA C 13 45.710 0.300 . 1 . . . . 78 GLY CA . 11371 1 360 . 1 1 78 78 GLY N N 15 107.503 0.300 . 1 . . . . 78 GLY N . 11371 1 361 . 1 1 79 79 ARG H H 1 7.628 0.030 . 1 . . . . 79 ARG H . 11371 1 362 . 1 1 79 79 ARG C C 13 173.740 0.300 . 1 . . . . 79 ARG C . 11371 1 363 . 1 1 79 79 ARG CA C 13 55.099 0.300 . 1 . . . . 79 ARG CA . 11371 1 364 . 1 1 79 79 ARG CB C 13 34.067 0.300 . 1 . . . . 79 ARG CB . 11371 1 365 . 1 1 79 79 ARG N N 15 118.490 0.300 . 1 . . . . 79 ARG N . 11371 1 366 . 1 1 80 80 GLN H H 1 7.828 0.030 . 1 . . . . 80 GLN H . 11371 1 367 . 1 1 80 80 GLN C C 13 176.166 0.300 . 1 . . . . 80 GLN C . 11371 1 368 . 1 1 80 80 GLN CA C 13 55.185 0.300 . 1 . . . . 80 GLN CA . 11371 1 369 . 1 1 80 80 GLN CB C 13 29.689 0.300 . 1 . . . . 80 GLN CB . 11371 1 370 . 1 1 80 80 GLN N N 15 121.688 0.300 . 1 . . . . 80 GLN N . 11371 1 371 . 1 1 81 81 ILE H H 1 8.170 0.030 . 1 . . . . 81 ILE H . 11371 1 372 . 1 1 81 81 ILE C C 13 176.072 0.300 . 1 . . . . 81 ILE C . 11371 1 373 . 1 1 81 81 ILE CA C 13 60.998 0.300 . 1 . . . . 81 ILE CA . 11371 1 374 . 1 1 81 81 ILE CB C 13 39.904 0.300 . 1 . . . . 81 ILE CB . 11371 1 375 . 1 1 81 81 ILE N N 15 118.219 0.300 . 1 . . . . 81 ILE N . 11371 1 376 . 1 1 82 82 ARG H H 1 7.906 0.030 . 1 . . . . 82 ARG H . 11371 1 377 . 1 1 82 82 ARG C C 13 175.264 0.300 . 1 . . . . 82 ARG C . 11371 1 378 . 1 1 82 82 ARG CA C 13 53.892 0.300 . 1 . . . . 82 ARG CA . 11371 1 379 . 1 1 82 82 ARG CB C 13 33.442 0.300 . 1 . . . . 82 ARG CB . 11371 1 380 . 1 1 82 82 ARG N N 15 119.761 0.300 . 1 . . . . 82 ARG N . 11371 1 381 . 1 1 83 83 THR H H 1 8.419 0.030 . 1 . . . . 83 THR H . 11371 1 382 . 1 1 83 83 THR C C 13 174.154 0.300 . 1 . . . . 83 THR C . 11371 1 383 . 1 1 83 83 THR CA C 13 58.385 0.300 . 1 . . . . 83 THR CA . 11371 1 384 . 1 1 83 83 THR CB C 13 71.380 0.300 . 1 . . . . 83 THR CB . 11371 1 385 . 1 1 83 83 THR N N 15 110.761 0.300 . 1 . . . . 83 THR N . 11371 1 386 . 1 1 84 84 ASN H H 1 8.618 0.030 . 1 . . . . 84 ASN H . 11371 1 387 . 1 1 84 84 ASN C C 13 174.242 0.300 . 1 . . . . 84 ASN C . 11371 1 388 . 1 1 84 84 ASN CA C 13 52.621 0.300 . 1 . . . . 84 ASN CA . 11371 1 389 . 1 1 84 84 ASN CB C 13 42.145 0.300 . 1 . . . . 84 ASN CB . 11371 1 390 . 1 1 84 84 ASN N N 15 114.962 0.300 . 1 . . . . 84 ASN N . 11371 1 391 . 1 1 85 85 TRP H H 1 8.780 0.030 . 1 . . . . 85 TRP H . 11371 1 392 . 1 1 85 85 TRP C C 13 177.387 0.300 . 1 . . . . 85 TRP C . 11371 1 393 . 1 1 85 85 TRP CA C 13 58.385 0.300 . 1 . . . . 85 TRP CA . 11371 1 394 . 1 1 85 85 TRP CB C 13 30.315 0.300 . 1 . . . . 85 TRP CB . 11371 1 395 . 1 1 85 85 TRP N N 15 121.948 0.300 . 1 . . . . 85 TRP N . 11371 1 396 . 1 1 86 86 ALA H H 1 8.914 0.030 . 1 . . . . 86 ALA H . 11371 1 397 . 1 1 86 86 ALA C C 13 177.513 0.300 . 1 . . . . 86 ALA C . 11371 1 398 . 1 1 86 86 ALA CA C 13 51.729 0.300 . 1 . . . . 86 ALA CA . 11371 1 399 . 1 1 86 86 ALA CB C 13 19.880 0.300 . 1 . . . . 86 ALA CB . 11371 1 400 . 1 1 86 86 ALA N N 15 125.707 0.300 . 1 . . . . 86 ALA N . 11371 1 401 . 1 1 87 87 THR H H 1 8.552 0.030 . 1 . . . . 87 THR H . 11371 1 402 . 1 1 87 87 THR C C 13 174.203 0.300 . 1 . . . . 87 THR C . 11371 1 403 . 1 1 87 87 THR CA C 13 62.136 0.300 . 1 . . . . 87 THR CA . 11371 1 404 . 1 1 87 87 THR CB C 13 69.621 0.300 . 1 . . . . 87 THR CB . 11371 1 405 . 1 1 87 87 THR N N 15 114.708 0.300 . 1 . . . . 87 THR N . 11371 1 406 . 1 1 88 88 ARG H H 1 8.153 0.030 . 1 . . . . 88 ARG H . 11371 1 407 . 1 1 88 88 ARG C C 13 175.178 0.300 . 1 . . . . 88 ARG C . 11371 1 408 . 1 1 88 88 ARG CA C 13 55.382 0.300 . 1 . . . . 88 ARG CA . 11371 1 409 . 1 1 88 88 ARG CB C 13 31.180 0.300 . 1 . . . . 88 ARG CB . 11371 1 410 . 1 1 88 88 ARG N N 15 122.258 0.300 . 1 . . . . 88 ARG N . 11371 1 411 . 1 1 89 89 LYS H H 1 8.228 0.030 . 1 . . . . 89 LYS H . 11371 1 412 . 1 1 89 89 LYS C C 13 173.774 0.300 . 1 . . . . 89 LYS C . 11371 1 413 . 1 1 89 89 LYS CA C 13 53.981 0.300 . 1 . . . . 89 LYS CA . 11371 1 414 . 1 1 89 89 LYS CB C 13 32.303 0.300 . 1 . . . . 89 LYS CB . 11371 1 415 . 1 1 89 89 LYS N N 15 123.682 0.300 . 1 . . . . 89 LYS N . 11371 1 416 . 1 1 91 91 PRO C C 13 176.066 0.300 . 1 . . . . 91 PRO C . 11371 1 417 . 1 1 91 91 PRO CA C 13 62.519 0.300 . 1 . . . . 91 PRO CA . 11371 1 418 . 1 1 91 91 PRO CB C 13 31.957 0.300 . 1 . . . . 91 PRO CB . 11371 1 419 . 1 1 92 92 ALA H H 1 8.296 0.030 . 1 . . . . 92 ALA H . 11371 1 420 . 1 1 92 92 ALA C C 13 175.523 0.300 . 1 . . . . 92 ALA C . 11371 1 421 . 1 1 92 92 ALA CA C 13 50.286 0.300 . 1 . . . . 92 ALA CA . 11371 1 422 . 1 1 92 92 ALA CB C 13 18.049 0.300 . 1 . . . . 92 ALA CB . 11371 1 423 . 1 1 92 92 ALA N N 15 125.522 0.300 . 1 . . . . 92 ALA N . 11371 1 424 . 1 1 93 93 PRO C C 13 176.887 0.300 . 1 . . . . 93 PRO C . 11371 1 425 . 1 1 93 93 PRO CA C 13 62.941 0.300 . 1 . . . . 93 PRO CA . 11371 1 426 . 1 1 93 93 PRO CB C 13 32.104 0.300 . 1 . . . . 93 PRO CB . 11371 1 427 . 1 1 94 94 LYS H H 1 8.411 0.030 . 1 . . . . 94 LYS H . 11371 1 428 . 1 1 94 94 LYS C C 13 176.710 0.300 . 1 . . . . 94 LYS C . 11371 1 429 . 1 1 94 94 LYS CA C 13 56.504 0.300 . 1 . . . . 94 LYS CA . 11371 1 430 . 1 1 94 94 LYS CB C 13 32.868 0.300 . 1 . . . . 94 LYS CB . 11371 1 431 . 1 1 94 94 LYS N N 15 121.556 0.300 . 1 . . . . 94 LYS N . 11371 1 432 . 1 1 95 95 SER H H 1 8.362 0.030 . 1 . . . . 95 SER H . 11371 1 433 . 1 1 95 95 SER C C 13 174.720 0.300 . 1 . . . . 95 SER C . 11371 1 434 . 1 1 95 95 SER CA C 13 58.312 0.300 . 1 . . . . 95 SER CA . 11371 1 435 . 1 1 95 95 SER CB C 13 64.051 0.300 . 1 . . . . 95 SER CB . 11371 1 436 . 1 1 95 95 SER N N 15 117.026 0.300 . 1 . . . . 95 SER N . 11371 1 437 . 1 1 96 96 THR H H 1 8.135 0.030 . 1 . . . . 96 THR H . 11371 1 438 . 1 1 96 96 THR C C 13 174.270 0.300 . 1 . . . . 96 THR C . 11371 1 439 . 1 1 96 96 THR CA C 13 62.052 0.300 . 1 . . . . 96 THR CA . 11371 1 440 . 1 1 96 96 THR CB C 13 69.590 0.300 . 1 . . . . 96 THR CB . 11371 1 441 . 1 1 96 96 THR N N 15 115.594 0.300 . 1 . . . . 96 THR N . 11371 1 442 . 1 1 97 97 TYR H H 1 8.120 0.030 . 1 . . . . 97 TYR H . 11371 1 443 . 1 1 97 97 TYR C C 13 175.732 0.300 . 1 . . . . 97 TYR C . 11371 1 444 . 1 1 97 97 TYR CA C 13 58.066 0.300 . 1 . . . . 97 TYR CA . 11371 1 445 . 1 1 97 97 TYR CB C 13 38.757 0.300 . 1 . . . . 97 TYR CB . 11371 1 446 . 1 1 97 97 TYR N N 15 121.779 0.300 . 1 . . . . 97 TYR N . 11371 1 447 . 1 1 98 98 GLU H H 1 8.213 0.030 . 1 . . . . 98 GLU H . 11371 1 448 . 1 1 98 98 GLU C C 13 176.103 0.300 . 1 . . . . 98 GLU C . 11371 1 449 . 1 1 98 98 GLU CA C 13 56.480 0.300 . 1 . . . . 98 GLU CA . 11371 1 450 . 1 1 98 98 GLU CB C 13 30.499 0.300 . 1 . . . . 98 GLU CB . 11371 1 451 . 1 1 98 98 GLU N N 15 122.606 0.300 . 1 . . . . 98 GLU N . 11371 1 452 . 1 1 99 99 SER H H 1 8.276 0.030 . 1 . . . . 99 SER H . 11371 1 453 . 1 1 99 99 SER C C 13 174.398 0.300 . 1 . . . . 99 SER C . 11371 1 454 . 1 1 99 99 SER CA C 13 58.457 0.300 . 1 . . . . 99 SER CA . 11371 1 455 . 1 1 99 99 SER CB C 13 63.775 0.300 . 1 . . . . 99 SER CB . 11371 1 456 . 1 1 99 99 SER N N 15 116.731 0.300 . 1 . . . . 99 SER N . 11371 1 457 . 1 1 100 100 ASN H H 1 8.477 0.030 . 1 . . . . 100 ASN H . 11371 1 458 . 1 1 100 100 ASN C C 13 175.333 0.300 . 1 . . . . 100 ASN C . 11371 1 459 . 1 1 100 100 ASN CA C 13 53.452 0.300 . 1 . . . . 100 ASN CA . 11371 1 460 . 1 1 100 100 ASN CB C 13 38.792 0.300 . 1 . . . . 100 ASN CB . 11371 1 461 . 1 1 100 100 ASN N N 15 120.825 0.300 . 1 . . . . 100 ASN N . 11371 1 462 . 1 1 101 101 THR H H 1 8.061 0.030 . 1 . . . . 101 THR H . 11371 1 463 . 1 1 101 101 THR C C 13 174.307 0.300 . 1 . . . . 101 THR C . 11371 1 464 . 1 1 101 101 THR CA C 13 61.950 0.300 . 1 . . . . 101 THR CA . 11371 1 465 . 1 1 101 101 THR CB C 13 69.802 0.300 . 1 . . . . 101 THR CB . 11371 1 466 . 1 1 101 101 THR N N 15 114.259 0.300 . 1 . . . . 101 THR N . 11371 1 467 . 1 1 102 102 LYS H H 1 8.278 0.030 . 1 . . . . 102 LYS H . 11371 1 468 . 1 1 102 102 LYS C C 13 175.512 0.300 . 1 . . . . 102 LYS C . 11371 1 469 . 1 1 102 102 LYS CA C 13 56.382 0.300 . 1 . . . . 102 LYS CA . 11371 1 470 . 1 1 102 102 LYS CB C 13 33.117 0.300 . 1 . . . . 102 LYS CB . 11371 1 471 . 1 1 102 102 LYS N N 15 124.388 0.300 . 1 . . . . 102 LYS N . 11371 1 472 . 1 1 103 103 GLN H H 1 8.007 0.030 . 1 . . . . 103 GLN H . 11371 1 473 . 1 1 103 103 GLN C C 13 180.477 0.300 . 1 . . . . 103 GLN C . 11371 1 474 . 1 1 103 103 GLN CA C 13 57.336 0.300 . 1 . . . . 103 GLN CA . 11371 1 475 . 1 1 103 103 GLN CB C 13 30.447 0.300 . 1 . . . . 103 GLN CB . 11371 1 476 . 1 1 103 103 GLN N N 15 127.252 0.300 . 1 . . . . 103 GLN N . 11371 1 stop_ save_