data_11413 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11413 _Entry.Title ; Refinement of RNA binding domain in human Tra2 beta protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Tsuda . . . 11413 2 K. Kuwasako . . . 11413 3 M. Takahashi . . . 11413 4 T. Someya . . . 11413 5 M. Inoue . . . 11413 6 T. Kigawa . . . 11413 7 T. Terada . . . 11413 8 M. Shirouzu . . . 11413 9 S. Sugano . . . 11413 10 Y. Muto . . . 11413 11 S. Yokoyama . . . 11413 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)' . 11413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 333 11413 '15N chemical shifts' 96 11413 '1H chemical shifts' 650 11413 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-08 2010-09-09 original author . 11413 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11413 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Refinement of RNA binding domain in human Tra2 beta protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Tsuda . . . 11413 1 2 K. Kuwasako . . . 11413 1 3 T. Someya . . . 11413 1 4 M. Takahashi . . . 11413 1 5 F. He . . . 11413 1 6 M. Inoue . . . 11413 1 7 T. Harada . . . 11413 1 8 S. Watanabe . . . 11413 1 9 T. Terada . . . 11413 1 10 N. Kobayashi . . . 11413 1 11 M. Shirouzu . . . 11413 1 12 T. Kigawa . . . 11413 1 13 A. Tanaka . . . 11413 1 14 S. Sugano . . . 11413 1 15 P. Guntert . . . 11413 1 16 S. Yokoyama . . . 11413 1 17 Y. Muto . . . 11413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11413 _Assembly.ID 1 _Assembly.Name ; cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene ; _Assembly.BMRB_code . _Assembly.Number_of_components 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 'RNA recognition motif' 1 $entity_1 A . yes native no no . . . 11413 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 2rrb . . . . . . 11413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11413 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA recognition motif' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSRANPDPNCCLGVFGL SLYTTERDLREVFSKYGPIA DVSIVYDQQSRRSRGFAFVY FENVDDAKEAKERANGMELD GRRIRVDFSITKRPHT ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16920 . Tra2beta1 . . . . . 96.88 95 97.85 100.00 1.49e-59 . . . . 11413 1 2 no PDB 2KXN . "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" . . . . . 96.88 129 97.85 100.00 2.26e-60 . . . . 11413 1 3 no PDB 2RRB . "Refinement Of Rna Binding Domain In Human Tra2 Beta Protein" . . . . . 100.00 96 100.00 100.00 3.44e-63 . . . . 11413 1 4 no DBJ BAA08556 . "RNA binding protein (transformer-2-like) [Rattus norvegicus]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 5 no DBJ BAC05256 . "unnamed protein product [Homo sapiens]" . . . . . 97.92 252 97.87 100.00 1.70e-59 . . . . 11413 1 6 no DBJ BAC33819 . "unnamed protein product [Mus musculus]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 7 no DBJ BAD92445 . "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" . . . . . 97.92 278 97.87 100.00 9.93e-60 . . . . 11413 1 8 no DBJ BAE88784 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.92 288 97.87 100.00 1.01e-59 . . . . 11413 1 9 no EMBL CAA56518 . "SIG41 [Mus musculus]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 10 no EMBL CAH18071 . "hypothetical protein [Homo sapiens]" . . . . . 97.92 276 97.87 100.00 6.64e-60 . . . . 11413 1 11 no GB AAB08701 . "transformer-2 beta [Homo sapiens]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 12 no GB AAC28242 . "htra2-beta [Homo sapiens]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 13 no GB AAD19277 . "transformer-2-beta isoform 1 [Homo sapiens]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 14 no GB AAD19278 . "transformer-2-beta isoform 3 [Homo sapiens]" . . . . . 97.92 188 97.87 100.00 4.16e-59 . . . . 11413 1 15 no GB AAH00160 . "Transformer 2 beta homolog (Drosophila) [Homo sapiens]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 16 no REF NP_001029948 . "transformer-2 protein homolog beta [Bos taurus]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 17 no REF NP_001070689 . "transformer-2 protein homolog beta [Sus scrofa]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 18 no REF NP_001230808 . "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" . . . . . 97.92 188 97.87 100.00 4.16e-59 . . . . 11413 1 19 no REF NP_001248265 . "transformer-2 protein homolog beta [Macaca mulatta]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 20 no REF NP_001271939 . "uncharacterized protein LOC101864908 [Macaca fascicularis]" . . . . . 97.92 288 97.87 100.00 1.01e-59 . . . . 11413 1 21 no SP P62995 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 22 no SP P62996 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 23 no SP P62997 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 24 no SP Q3ZBT6 . "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 25 no TPG DAA33375 . "TPA: transformer-2 protein homolog beta [Bos taurus]" . . . . . 97.92 288 97.87 100.00 6.57e-60 . . . . 11413 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA recognition motif' . 11413 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 . 11413 1 2 . PRO . 11413 1 3 . LEU . 11413 1 4 . GLY . 11413 1 5 . SER . 11413 1 6 . ARG . 11413 1 7 . ALA . 11413 1 8 . ASN . 11413 1 9 . PRO . 11413 1 10 . ASP . 11413 1 11 . PRO . 11413 1 12 . ASN . 11413 1 13 . CYS . 11413 1 14 . CYS . 11413 1 15 . LEU . 11413 1 16 . GLY . 11413 1 17 . VAL . 11413 1 18 . PHE . 11413 1 19 . GLY . 11413 1 20 . LEU . 11413 1 21 . SER . 11413 1 22 . LEU . 11413 1 23 . TYR . 11413 1 24 . THR . 11413 1 25 . THR . 11413 1 26 . GLU . 11413 1 27 . ARG . 11413 1 28 . ASP . 11413 1 29 . LEU . 11413 1 30 . ARG . 11413 1 31 . GLU . 11413 1 32 . VAL . 11413 1 33 . PHE . 11413 1 34 . SER . 11413 1 35 . LYS . 11413 1 36 . TYR . 11413 1 37 . GLY . 11413 1 38 . PRO . 11413 1 39 . ILE . 11413 1 40 . ALA . 11413 1 41 . ASP . 11413 1 42 . VAL . 11413 1 43 . SER . 11413 1 44 . ILE . 11413 1 45 . VAL . 11413 1 46 . TYR . 11413 1 47 . ASP . 11413 1 48 . GLN . 11413 1 49 . GLN . 11413 1 50 . SER . 11413 1 51 . ARG . 11413 1 52 . ARG . 11413 1 53 . SER . 11413 1 54 . ARG . 11413 1 55 . GLY . 11413 1 56 . PHE . 11413 1 57 . ALA . 11413 1 58 . PHE . 11413 1 59 . VAL . 11413 1 60 . TYR . 11413 1 61 . PHE . 11413 1 62 . GLU . 11413 1 63 . ASN . 11413 1 64 . VAL . 11413 1 65 . ASP . 11413 1 66 . ASP . 11413 1 67 . ALA . 11413 1 68 . LYS . 11413 1 69 . GLU . 11413 1 70 . ALA . 11413 1 71 . LYS . 11413 1 72 . GLU . 11413 1 73 . ARG . 11413 1 74 . ALA . 11413 1 75 . ASN . 11413 1 76 . GLY . 11413 1 77 . MET . 11413 1 78 . GLU . 11413 1 79 . LEU . 11413 1 80 . ASP . 11413 1 81 . GLY . 11413 1 82 . ARG . 11413 1 83 . ARG . 11413 1 84 . ILE . 11413 1 85 . ARG . 11413 1 86 . VAL . 11413 1 87 . ASP . 11413 1 88 . PHE . 11413 1 89 . SER . 11413 1 90 . ILE . 11413 1 91 . THR . 11413 1 92 . LYS . 11413 1 93 . ARG . 11413 1 94 . PRO . 11413 1 95 . HIS . 11413 1 96 . THR . 11413 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 11413 1 . PRO 2 2 11413 1 . LEU 3 3 11413 1 . GLY 4 4 11413 1 . SER 5 5 11413 1 . ARG 6 6 11413 1 . ALA 7 7 11413 1 . ASN 8 8 11413 1 . PRO 9 9 11413 1 . ASP 10 10 11413 1 . PRO 11 11 11413 1 . ASN 12 12 11413 1 . CYS 13 13 11413 1 . CYS 14 14 11413 1 . LEU 15 15 11413 1 . GLY 16 16 11413 1 . VAL 17 17 11413 1 . PHE 18 18 11413 1 . GLY 19 19 11413 1 . LEU 20 20 11413 1 . SER 21 21 11413 1 . LEU 22 22 11413 1 . TYR 23 23 11413 1 . THR 24 24 11413 1 . THR 25 25 11413 1 . GLU 26 26 11413 1 . ARG 27 27 11413 1 . ASP 28 28 11413 1 . LEU 29 29 11413 1 . ARG 30 30 11413 1 . GLU 31 31 11413 1 . VAL 32 32 11413 1 . PHE 33 33 11413 1 . SER 34 34 11413 1 . LYS 35 35 11413 1 . TYR 36 36 11413 1 . GLY 37 37 11413 1 . PRO 38 38 11413 1 . ILE 39 39 11413 1 . ALA 40 40 11413 1 . ASP 41 41 11413 1 . VAL 42 42 11413 1 . SER 43 43 11413 1 . ILE 44 44 11413 1 . VAL 45 45 11413 1 . TYR 46 46 11413 1 . ASP 47 47 11413 1 . GLN 48 48 11413 1 . GLN 49 49 11413 1 . SER 50 50 11413 1 . ARG 51 51 11413 1 . ARG 52 52 11413 1 . SER 53 53 11413 1 . ARG 54 54 11413 1 . GLY 55 55 11413 1 . PHE 56 56 11413 1 . ALA 57 57 11413 1 . PHE 58 58 11413 1 . VAL 59 59 11413 1 . TYR 60 60 11413 1 . PHE 61 61 11413 1 . GLU 62 62 11413 1 . ASN 63 63 11413 1 . VAL 64 64 11413 1 . ASP 65 65 11413 1 . ASP 66 66 11413 1 . ALA 67 67 11413 1 . LYS 68 68 11413 1 . GLU 69 69 11413 1 . ALA 70 70 11413 1 . LYS 71 71 11413 1 . GLU 72 72 11413 1 . ARG 73 73 11413 1 . ALA 74 74 11413 1 . ASN 75 75 11413 1 . GLY 76 76 11413 1 . MET 77 77 11413 1 . GLU 78 78 11413 1 . LEU 79 79 11413 1 . ASP 80 80 11413 1 . GLY 81 81 11413 1 . ARG 82 82 11413 1 . ARG 83 83 11413 1 . ILE 84 84 11413 1 . ARG 85 85 11413 1 . VAL 86 86 11413 1 . ASP 87 87 11413 1 . PHE 88 88 11413 1 . SER 89 89 11413 1 . ILE 90 90 11413 1 . THR 91 91 11413 1 . LYS 92 92 11413 1 . ARG 93 93 11413 1 . PRO 94 94 11413 1 . HIS 95 95 11413 1 . THR 96 96 11413 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 11413 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11413 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 11413 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 11413 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11413 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM {[U-100%} {13C;} U-100% 15N\] Human transformer 2 beta-1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human transformer 2 beta-1' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 11413 1 2 H2O . . . . . . solvent 90 . . % . . . . 11413 1 3 D2O . . . . . . solvent 10 . . % . . . . 11413 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 11413 _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 11413 1 pH 7.0 0.05 pH 11413 1 pressure 1 0.001 atm 11413 1 temperature 298 0.1 K 11413 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11413 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm' . . 11413 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11413 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11413 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker, Biospin' . . 11413 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11413 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11413 _Software.ID 3 _Software.Name NMRPipe _Software.Version 20060801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . 11413 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11413 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11413 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One, Moon, Scientific' . . 11413 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11413 4 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11413 _Software.ID 5 _Software.Name Kujira _Software.Version 0.9843 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11413 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11413 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11413 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler, and, Wuthrich' . . 11413 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11413 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11413 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11413 _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 . 800 . . . 11413 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 11413 _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 . . . . . . . . . . . . . . . . 11413 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11413 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 11413 _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 . . . . . . . . . 11413 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11413 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11413 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 11413 _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 11413 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11413 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AMBER . . 11413 1 2 $xwinnmr . . 11413 1 3 $NMRPipe . . 11413 1 4 $NMRView . . 11413 1 5 $Kujira . . 11413 1 6 $CYANA . . 11413 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 PRO HA H 1 4.462 0.030 . 1 . . . . 2 PRO HA . 11413 1 2 . 1 1 2 2 PRO HB2 H 1 2.297 0.030 . 2 . . . . 2 PRO HB2 . 11413 1 3 . 1 1 2 2 PRO HB3 H 1 1.928 0.030 . 2 . . . . 2 PRO HB3 . 11413 1 4 . 1 1 2 2 PRO CA C 13 63.156 0.300 . 1 . . . . 2 PRO CA . 11413 1 5 . 1 1 2 2 PRO CB C 13 32.339 0.300 . 1 . . . . 2 PRO CB . 11413 1 6 . 1 1 2 2 PRO CD C 13 49.592 0.300 . 1 . . . . 2 PRO CD . 11413 1 7 . 1 1 2 2 PRO CG C 13 26.913 0.300 . 1 . . . . 2 PRO CG . 11413 1 8 . 1 1 3 3 LEU H H 1 8.530 0.030 . 1 . . . . 3 LEU H . 11413 1 9 . 1 1 3 3 LEU HA H 1 4.328 0.030 . 1 . . . . 3 LEU HA . 11413 1 10 . 1 1 3 3 LEU HB2 H 1 1.668 0.030 . 2 . . . . 3 LEU HB2 . 11413 1 11 . 1 1 3 3 LEU HB3 H 1 1.583 0.030 . 2 . . . . 3 LEU HB3 . 11413 1 12 . 1 1 3 3 LEU HD11 H 1 0.916 0.030 . 1 . . . . 3 LEU HD1 . 11413 1 13 . 1 1 3 3 LEU HD12 H 1 0.916 0.030 . 1 . . . . 3 LEU HD1 . 11413 1 14 . 1 1 3 3 LEU HD13 H 1 0.916 0.030 . 1 . . . . 3 LEU HD1 . 11413 1 15 . 1 1 3 3 LEU HD21 H 1 0.872 0.030 . 1 . . . . 3 LEU HD2 . 11413 1 16 . 1 1 3 3 LEU HD22 H 1 0.872 0.030 . 1 . . . . 3 LEU HD2 . 11413 1 17 . 1 1 3 3 LEU HD23 H 1 0.872 0.030 . 1 . . . . 3 LEU HD2 . 11413 1 18 . 1 1 3 3 LEU HG H 1 1.652 0.030 . 1 . . . . 3 LEU HG . 11413 1 19 . 1 1 3 3 LEU CA C 13 55.588 0.300 . 1 . . . . 3 LEU CA . 11413 1 20 . 1 1 3 3 LEU CB C 13 42.281 0.300 . 1 . . . . 3 LEU CB . 11413 1 21 . 1 1 3 3 LEU CD1 C 13 24.875 0.300 . 2 . . . . 3 LEU CD1 . 11413 1 22 . 1 1 3 3 LEU CD2 C 13 23.573 0.300 . 2 . . . . 3 LEU CD2 . 11413 1 23 . 1 1 3 3 LEU CG C 13 27.011 0.300 . 1 . . . . 3 LEU CG . 11413 1 24 . 1 1 3 3 LEU N N 15 122.439 0.300 . 1 . . . . 3 LEU N . 11413 1 25 . 1 1 4 4 GLY H H 1 8.421 0.030 . 1 . . . . 4 GLY H . 11413 1 26 . 1 1 4 4 GLY HA2 H 1 3.992 0.030 . 2 . . . . 4 GLY HA2 . 11413 1 27 . 1 1 4 4 GLY HA3 H 1 3.930 0.030 . 2 . . . . 4 GLY HA3 . 11413 1 28 . 1 1 4 4 GLY CA C 13 45.330 0.300 . 1 . . . . 4 GLY CA . 11413 1 29 . 1 1 4 4 GLY N N 15 109.908 0.300 . 1 . . . . 4 GLY N . 11413 1 30 . 1 1 5 5 SER H H 1 8.187 0.030 . 1 . . . . 5 SER H . 11413 1 31 . 1 1 5 5 SER HA H 1 4.411 0.030 . 1 . . . . 5 SER HA . 11413 1 32 . 1 1 5 5 SER HB2 H 1 3.866 0.030 . 2 . . . . 5 SER HB2 . 11413 1 33 . 1 1 5 5 SER HB3 H 1 3.826 0.030 . 2 . . . . 5 SER HB3 . 11413 1 34 . 1 1 5 5 SER CA C 13 58.505 0.300 . 1 . . . . 5 SER CA . 11413 1 35 . 1 1 5 5 SER CB C 13 63.984 0.300 . 1 . . . . 5 SER CB . 11413 1 36 . 1 1 5 5 SER N N 15 115.797 0.300 . 1 . . . . 5 SER N . 11413 1 37 . 1 1 6 6 ARG H H 1 8.340 0.030 . 1 . . . . 6 ARG H . 11413 1 38 . 1 1 6 6 ARG HA H 1 4.309 0.030 . 1 . . . . 6 ARG HA . 11413 1 39 . 1 1 6 6 ARG HB2 H 1 1.849 0.030 . 2 . . . . 6 ARG HB2 . 11413 1 40 . 1 1 6 6 ARG HB3 H 1 1.730 0.030 . 2 . . . . 6 ARG HB3 . 11413 1 41 . 1 1 6 6 ARG HD2 H 1 3.164 0.030 . 2 . . . . 6 ARG HD2 . 11413 1 42 . 1 1 6 6 ARG HG2 H 1 1.590 0.030 . 2 . . . . 6 ARG HG2 . 11413 1 43 . 1 1 6 6 ARG CA C 13 56.012 0.300 . 1 . . . . 6 ARG CA . 11413 1 44 . 1 1 6 6 ARG CB C 13 30.671 0.300 . 1 . . . . 6 ARG CB . 11413 1 45 . 1 1 6 6 ARG CD C 13 43.352 0.300 . 1 . . . . 6 ARG CD . 11413 1 46 . 1 1 6 6 ARG CG C 13 26.771 0.300 . 1 . . . . 6 ARG CG . 11413 1 47 . 1 1 6 6 ARG N N 15 122.575 0.300 . 1 . . . . 6 ARG N . 11413 1 48 . 1 1 7 7 ALA H H 1 8.183 0.030 . 1 . . . . 7 ALA H . 11413 1 49 . 1 1 7 7 ALA HA H 1 4.201 0.030 . 1 . . . . 7 ALA HA . 11413 1 50 . 1 1 7 7 ALA HB1 H 1 1.301 0.030 . 1 . . . . 7 ALA HB . 11413 1 51 . 1 1 7 7 ALA HB2 H 1 1.301 0.030 . 1 . . . . 7 ALA HB . 11413 1 52 . 1 1 7 7 ALA HB3 H 1 1.301 0.030 . 1 . . . . 7 ALA HB . 11413 1 53 . 1 1 7 7 ALA CA C 13 52.500 0.300 . 1 . . . . 7 ALA CA . 11413 1 54 . 1 1 7 7 ALA CB C 13 19.330 0.300 . 1 . . . . 7 ALA CB . 11413 1 55 . 1 1 7 7 ALA N N 15 124.450 0.300 . 1 . . . . 7 ALA N . 11413 1 56 . 1 1 8 8 ASN H H 1 8.320 0.030 . 1 . . . . 8 ASN H . 11413 1 57 . 1 1 8 8 ASN HA H 1 4.913 0.030 . 1 . . . . 8 ASN HA . 11413 1 58 . 1 1 8 8 ASN HB2 H 1 2.838 0.030 . 2 . . . . 8 ASN HB2 . 11413 1 59 . 1 1 8 8 ASN HB3 H 1 2.652 0.030 . 2 . . . . 8 ASN HB3 . 11413 1 60 . 1 1 8 8 ASN HD21 H 1 7.616 0.030 . 2 . . . . 8 ASN HD21 . 11413 1 61 . 1 1 8 8 ASN HD22 H 1 6.935 0.030 . 2 . . . . 8 ASN HD22 . 11413 1 62 . 1 1 8 8 ASN CA C 13 51.205 0.300 . 1 . . . . 8 ASN CA . 11413 1 63 . 1 1 8 8 ASN CB C 13 39.034 0.300 . 1 . . . . 8 ASN CB . 11413 1 64 . 1 1 8 8 ASN N N 15 118.723 0.300 . 1 . . . . 8 ASN N . 11413 1 65 . 1 1 8 8 ASN ND2 N 15 113.211 0.300 . 1 . . . . 8 ASN ND2 . 11413 1 66 . 1 1 9 9 PRO HA H 1 4.361 0.030 . 1 . . . . 9 PRO HA . 11413 1 67 . 1 1 9 9 PRO HB2 H 1 2.025 0.030 . 2 . . . . 9 PRO HB2 . 11413 1 68 . 1 1 9 9 PRO HB3 H 1 1.790 0.030 . 2 . . . . 9 PRO HB3 . 11413 1 69 . 1 1 9 9 PRO HD2 H 1 3.676 0.030 . 2 . . . . 9 PRO HD2 . 11413 1 70 . 1 1 9 9 PRO HD3 H 1 3.616 0.030 . 2 . . . . 9 PRO HD3 . 11413 1 71 . 1 1 9 9 PRO HG2 H 1 1.799 0.030 . 1 . . . . 9 PRO HG2 . 11413 1 72 . 1 1 9 9 PRO HG3 H 1 1.799 0.030 . 1 . . . . 9 PRO HG3 . 11413 1 73 . 1 1 9 9 PRO CA C 13 62.955 0.300 . 1 . . . . 9 PRO CA . 11413 1 74 . 1 1 9 9 PRO CB C 13 32.215 0.300 . 1 . . . . 9 PRO CB . 11413 1 75 . 1 1 9 9 PRO CD C 13 50.534 0.300 . 1 . . . . 9 PRO CD . 11413 1 76 . 1 1 9 9 PRO CG C 13 27.104 0.300 . 1 . . . . 9 PRO CG . 11413 1 77 . 1 1 10 10 ASP H H 1 8.507 0.030 . 1 . . . . 10 ASP H . 11413 1 78 . 1 1 10 10 ASP HA H 1 4.806 0.030 . 1 . . . . 10 ASP HA . 11413 1 79 . 1 1 10 10 ASP HB2 H 1 2.937 0.030 . 2 . . . . 10 ASP HB2 . 11413 1 80 . 1 1 10 10 ASP HB3 H 1 2.597 0.030 . 2 . . . . 10 ASP HB3 . 11413 1 81 . 1 1 10 10 ASP CA C 13 51.902 0.300 . 1 . . . . 10 ASP CA . 11413 1 82 . 1 1 10 10 ASP CB C 13 41.955 0.300 . 1 . . . . 10 ASP CB . 11413 1 83 . 1 1 10 10 ASP N N 15 123.246 0.300 . 1 . . . . 10 ASP N . 11413 1 84 . 1 1 11 11 PRO HA H 1 4.007 0.030 . 1 . . . . 11 PRO HA . 11413 1 85 . 1 1 11 11 PRO HB2 H 1 2.222 0.030 . 2 . . . . 11 PRO HB2 . 11413 1 86 . 1 1 11 11 PRO HB3 H 1 1.878 0.030 . 2 . . . . 11 PRO HB3 . 11413 1 87 . 1 1 11 11 PRO HD2 H 1 3.977 0.030 . 2 . . . . 11 PRO HD2 . 11413 1 88 . 1 1 11 11 PRO HD3 H 1 3.876 0.030 . 2 . . . . 11 PRO HD3 . 11413 1 89 . 1 1 11 11 PRO HG2 H 1 1.982 0.030 . 1 . . . . 11 PRO HG2 . 11413 1 90 . 1 1 11 11 PRO HG3 H 1 1.982 0.030 . 1 . . . . 11 PRO HG3 . 11413 1 91 . 1 1 11 11 PRO CA C 13 64.239 0.300 . 1 . . . . 11 PRO CA . 11413 1 92 . 1 1 11 11 PRO CB C 13 32.329 0.300 . 1 . . . . 11 PRO CB . 11413 1 93 . 1 1 11 11 PRO CD C 13 51.063 0.300 . 1 . . . . 11 PRO CD . 11413 1 94 . 1 1 11 11 PRO CG C 13 27.271 0.300 . 1 . . . . 11 PRO CG . 11413 1 95 . 1 1 12 12 ASN H H 1 8.428 0.030 . 1 . . . . 12 ASN H . 11413 1 96 . 1 1 12 12 ASN HA H 1 4.596 0.030 . 1 . . . . 12 ASN HA . 11413 1 97 . 1 1 12 12 ASN HB2 H 1 2.762 0.030 . 2 . . . . 12 ASN HB2 . 11413 1 98 . 1 1 12 12 ASN HB3 H 1 2.707 0.030 . 2 . . . . 12 ASN HB3 . 11413 1 99 . 1 1 12 12 ASN HD21 H 1 7.827 0.030 . 2 . . . . 12 ASN HD21 . 11413 1 100 . 1 1 12 12 ASN HD22 H 1 6.841 0.030 . 2 . . . . 12 ASN HD22 . 11413 1 101 . 1 1 12 12 ASN CA C 13 54.257 0.300 . 1 . . . . 12 ASN CA . 11413 1 102 . 1 1 12 12 ASN CB C 13 38.695 0.300 . 1 . . . . 12 ASN CB . 11413 1 103 . 1 1 12 12 ASN N N 15 116.541 0.300 . 1 . . . . 12 ASN N . 11413 1 104 . 1 1 12 12 ASN ND2 N 15 113.916 0.300 . 1 . . . . 12 ASN ND2 . 11413 1 105 . 1 1 13 13 CYS H H 1 8.016 0.030 . 1 . . . . 13 CYS H . 11413 1 106 . 1 1 13 13 CYS HA H 1 4.394 0.030 . 1 . . . . 13 CYS HA . 11413 1 107 . 1 1 13 13 CYS HB2 H 1 3.492 0.030 . 2 . . . . 13 CYS HB2 . 11413 1 108 . 1 1 13 13 CYS HB3 H 1 3.127 0.030 . 2 . . . . 13 CYS HB3 . 11413 1 109 . 1 1 13 13 CYS CA C 13 59.808 0.300 . 1 . . . . 13 CYS CA . 11413 1 110 . 1 1 13 13 CYS CB C 13 28.715 0.300 . 1 . . . . 13 CYS CB . 11413 1 111 . 1 1 13 13 CYS N N 15 114.786 0.300 . 1 . . . . 13 CYS N . 11413 1 112 . 1 1 14 14 CYS H H 1 7.756 0.030 . 1 . . . . 14 CYS H . 11413 1 113 . 1 1 14 14 CYS HA H 1 4.786 0.030 . 1 . . . . 14 CYS HA . 11413 1 114 . 1 1 14 14 CYS HB2 H 1 3.013 0.030 . 2 . . . . 14 CYS HB2 . 11413 1 115 . 1 1 14 14 CYS HB3 H 1 2.503 0.030 . 2 . . . . 14 CYS HB3 . 11413 1 116 . 1 1 14 14 CYS CA C 13 57.517 0.300 . 1 . . . . 14 CYS CA . 11413 1 117 . 1 1 14 14 CYS CB C 13 29.068 0.300 . 1 . . . . 14 CYS CB . 11413 1 118 . 1 1 14 14 CYS N N 15 120.269 0.300 . 1 . . . . 14 CYS N . 11413 1 119 . 1 1 15 15 LEU H H 1 9.285 0.030 . 1 . . . . 15 LEU H . 11413 1 120 . 1 1 15 15 LEU HA H 1 4.912 0.030 . 1 . . . . 15 LEU HA . 11413 1 121 . 1 1 15 15 LEU HB2 H 1 1.392 0.030 . 2 . . . . 15 LEU HB2 . 11413 1 122 . 1 1 15 15 LEU HB3 H 1 1.120 0.030 . 2 . . . . 15 LEU HB3 . 11413 1 123 . 1 1 15 15 LEU HD11 H 1 0.682 0.030 . 1 . . . . 15 LEU HD1 . 11413 1 124 . 1 1 15 15 LEU HD12 H 1 0.682 0.030 . 1 . . . . 15 LEU HD1 . 11413 1 125 . 1 1 15 15 LEU HD13 H 1 0.682 0.030 . 1 . . . . 15 LEU HD1 . 11413 1 126 . 1 1 15 15 LEU HD21 H 1 0.341 0.030 . 1 . . . . 15 LEU HD2 . 11413 1 127 . 1 1 15 15 LEU HD22 H 1 0.341 0.030 . 1 . . . . 15 LEU HD2 . 11413 1 128 . 1 1 15 15 LEU HD23 H 1 0.341 0.030 . 1 . . . . 15 LEU HD2 . 11413 1 129 . 1 1 15 15 LEU HG H 1 1.572 0.030 . 1 . . . . 15 LEU HG . 11413 1 130 . 1 1 15 15 LEU CA C 13 52.762 0.300 . 1 . . . . 15 LEU CA . 11413 1 131 . 1 1 15 15 LEU CB C 13 43.296 0.300 . 1 . . . . 15 LEU CB . 11413 1 132 . 1 1 15 15 LEU CD1 C 13 26.489 0.300 . 2 . . . . 15 LEU CD1 . 11413 1 133 . 1 1 15 15 LEU CD2 C 13 23.318 0.300 . 2 . . . . 15 LEU CD2 . 11413 1 134 . 1 1 15 15 LEU CG C 13 26.603 0.300 . 1 . . . . 15 LEU CG . 11413 1 135 . 1 1 15 15 LEU N N 15 128.524 0.300 . 1 . . . . 15 LEU N . 11413 1 136 . 1 1 16 16 GLY H H 1 9.150 0.030 . 1 . . . . 16 GLY H . 11413 1 137 . 1 1 16 16 GLY HA2 H 1 3.248 0.030 . 2 . . . . 16 GLY HA2 . 11413 1 138 . 1 1 16 16 GLY HA3 H 1 4.402 0.030 . 2 . . . . 16 GLY HA3 . 11413 1 139 . 1 1 16 16 GLY CA C 13 45.060 0.300 . 1 . . . . 16 GLY CA . 11413 1 140 . 1 1 16 16 GLY N N 15 110.087 0.300 . 1 . . . . 16 GLY N . 11413 1 141 . 1 1 17 17 VAL H H 1 8.174 0.030 . 1 . . . . 17 VAL H . 11413 1 142 . 1 1 17 17 VAL HA H 1 4.622 0.030 . 1 . . . . 17 VAL HA . 11413 1 143 . 1 1 17 17 VAL HB H 1 1.532 0.030 . 1 . . . . 17 VAL HB . 11413 1 144 . 1 1 17 17 VAL HG11 H 1 0.852 0.030 . 1 . . . . 17 VAL HG1 . 11413 1 145 . 1 1 17 17 VAL HG12 H 1 0.852 0.030 . 1 . . . . 17 VAL HG1 . 11413 1 146 . 1 1 17 17 VAL HG13 H 1 0.852 0.030 . 1 . . . . 17 VAL HG1 . 11413 1 147 . 1 1 17 17 VAL HG21 H 1 0.477 0.030 . 1 . . . . 17 VAL HG2 . 11413 1 148 . 1 1 17 17 VAL HG22 H 1 0.477 0.030 . 1 . . . . 17 VAL HG2 . 11413 1 149 . 1 1 17 17 VAL HG23 H 1 0.477 0.030 . 1 . . . . 17 VAL HG2 . 11413 1 150 . 1 1 17 17 VAL CA C 13 60.739 0.300 . 1 . . . . 17 VAL CA . 11413 1 151 . 1 1 17 17 VAL CB C 13 33.249 0.300 . 1 . . . . 17 VAL CB . 11413 1 152 . 1 1 17 17 VAL CG1 C 13 23.031 0.300 . 2 . . . . 17 VAL CG1 . 11413 1 153 . 1 1 17 17 VAL CG2 C 13 21.148 0.300 . 2 . . . . 17 VAL CG2 . 11413 1 154 . 1 1 17 17 VAL N N 15 124.206 0.300 . 1 . . . . 17 VAL N . 11413 1 155 . 1 1 18 18 PHE H H 1 9.438 0.030 . 1 . . . . 18 PHE H . 11413 1 156 . 1 1 18 18 PHE HA H 1 4.996 0.030 . 1 . . . . 18 PHE HA . 11413 1 157 . 1 1 18 18 PHE HB2 H 1 3.223 0.030 . 2 . . . . 18 PHE HB2 . 11413 1 158 . 1 1 18 18 PHE HB3 H 1 2.726 0.030 . 2 . . . . 18 PHE HB3 . 11413 1 159 . 1 1 18 18 PHE HD1 H 1 6.960 0.030 . 1 . . . . 18 PHE HD1 . 11413 1 160 . 1 1 18 18 PHE HD2 H 1 6.960 0.030 . 1 . . . . 18 PHE HD2 . 11413 1 161 . 1 1 18 18 PHE HE1 H 1 6.904 0.030 . 1 . . . . 18 PHE HE1 . 11413 1 162 . 1 1 18 18 PHE HE2 H 1 6.904 0.030 . 1 . . . . 18 PHE HE2 . 11413 1 163 . 1 1 18 18 PHE HZ H 1 7.135 0.030 . 1 . . . . 18 PHE HZ . 11413 1 164 . 1 1 18 18 PHE CA C 13 56.353 0.300 . 1 . . . . 18 PHE CA . 11413 1 165 . 1 1 18 18 PHE CB C 13 42.306 0.300 . 1 . . . . 18 PHE CB . 11413 1 166 . 1 1 18 18 PHE CD1 C 13 132.492 0.300 . 1 . . . . 18 PHE CD1 . 11413 1 167 . 1 1 18 18 PHE CD2 C 13 132.492 0.300 . 1 . . . . 18 PHE CD2 . 11413 1 168 . 1 1 18 18 PHE CE1 C 13 130.724 0.300 . 1 . . . . 18 PHE CE1 . 11413 1 169 . 1 1 18 18 PHE CE2 C 13 130.724 0.300 . 1 . . . . 18 PHE CE2 . 11413 1 170 . 1 1 18 18 PHE CZ C 13 129.245 0.300 . 1 . . . . 18 PHE CZ . 11413 1 171 . 1 1 18 18 PHE N N 15 122.973 0.300 . 1 . . . . 18 PHE N . 11413 1 172 . 1 1 19 19 GLY H H 1 8.677 0.030 . 1 . . . . 19 GLY H . 11413 1 173 . 1 1 19 19 GLY HA2 H 1 4.339 0.030 . 2 . . . . 19 GLY HA2 . 11413 1 174 . 1 1 19 19 GLY HA3 H 1 3.849 0.030 . 2 . . . . 19 GLY HA3 . 11413 1 175 . 1 1 19 19 GLY CA C 13 45.648 0.300 . 1 . . . . 19 GLY CA . 11413 1 176 . 1 1 19 19 GLY N N 15 109.075 0.300 . 1 . . . . 19 GLY N . 11413 1 177 . 1 1 20 20 LEU H H 1 7.810 0.030 . 1 . . . . 20 LEU H . 11413 1 178 . 1 1 20 20 LEU HA H 1 4.207 0.030 . 1 . . . . 20 LEU HA . 11413 1 179 . 1 1 20 20 LEU HB2 H 1 1.449 0.030 . 2 . . . . 20 LEU HB2 . 11413 1 180 . 1 1 20 20 LEU HB3 H 1 1.160 0.030 . 2 . . . . 20 LEU HB3 . 11413 1 181 . 1 1 20 20 LEU HD11 H 1 0.451 0.030 . 1 . . . . 20 LEU HD1 . 11413 1 182 . 1 1 20 20 LEU HD12 H 1 0.451 0.030 . 1 . . . . 20 LEU HD1 . 11413 1 183 . 1 1 20 20 LEU HD13 H 1 0.451 0.030 . 1 . . . . 20 LEU HD1 . 11413 1 184 . 1 1 20 20 LEU HD21 H 1 0.813 0.030 . 1 . . . . 20 LEU HD2 . 11413 1 185 . 1 1 20 20 LEU HD22 H 1 0.813 0.030 . 1 . . . . 20 LEU HD2 . 11413 1 186 . 1 1 20 20 LEU HD23 H 1 0.813 0.030 . 1 . . . . 20 LEU HD2 . 11413 1 187 . 1 1 20 20 LEU HG H 1 1.355 0.030 . 1 . . . . 20 LEU HG . 11413 1 188 . 1 1 20 20 LEU CA C 13 54.102 0.300 . 1 . . . . 20 LEU CA . 11413 1 189 . 1 1 20 20 LEU CB C 13 43.785 0.300 . 1 . . . . 20 LEU CB . 11413 1 190 . 1 1 20 20 LEU CD1 C 13 26.387 0.300 . 2 . . . . 20 LEU CD1 . 11413 1 191 . 1 1 20 20 LEU CD2 C 13 24.305 0.300 . 2 . . . . 20 LEU CD2 . 11413 1 192 . 1 1 20 20 LEU CG C 13 26.866 0.300 . 1 . . . . 20 LEU CG . 11413 1 193 . 1 1 20 20 LEU N N 15 116.291 0.300 . 1 . . . . 20 LEU N . 11413 1 194 . 1 1 21 21 SER H H 1 9.357 0.030 . 1 . . . . 21 SER H . 11413 1 195 . 1 1 21 21 SER HA H 1 4.331 0.030 . 1 . . . . 21 SER HA . 11413 1 196 . 1 1 21 21 SER HB2 H 1 4.161 0.030 . 1 . . . . 21 SER HB2 . 11413 1 197 . 1 1 21 21 SER HB3 H 1 4.161 0.030 . 1 . . . . 21 SER HB3 . 11413 1 198 . 1 1 21 21 SER CA C 13 57.556 0.300 . 1 . . . . 21 SER CA . 11413 1 199 . 1 1 21 21 SER CB C 13 63.728 0.300 . 1 . . . . 21 SER CB . 11413 1 200 . 1 1 21 21 SER N N 15 115.462 0.300 . 1 . . . . 21 SER N . 11413 1 201 . 1 1 22 22 LEU H H 1 8.891 0.030 . 1 . . . . 22 LEU H . 11413 1 202 . 1 1 22 22 LEU HA H 1 3.898 0.030 . 1 . . . . 22 LEU HA . 11413 1 203 . 1 1 22 22 LEU HB2 H 1 1.303 0.030 . 1 . . . . 22 LEU HB2 . 11413 1 204 . 1 1 22 22 LEU HB3 H 1 1.303 0.030 . 1 . . . . 22 LEU HB3 . 11413 1 205 . 1 1 22 22 LEU HD11 H 1 0.707 0.030 . 1 . . . . 22 LEU HD1 . 11413 1 206 . 1 1 22 22 LEU HD12 H 1 0.707 0.030 . 1 . . . . 22 LEU HD1 . 11413 1 207 . 1 1 22 22 LEU HD13 H 1 0.707 0.030 . 1 . . . . 22 LEU HD1 . 11413 1 208 . 1 1 22 22 LEU HD21 H 1 0.860 0.030 . 1 . . . . 22 LEU HD2 . 11413 1 209 . 1 1 22 22 LEU HD22 H 1 0.860 0.030 . 1 . . . . 22 LEU HD2 . 11413 1 210 . 1 1 22 22 LEU HD23 H 1 0.860 0.030 . 1 . . . . 22 LEU HD2 . 11413 1 211 . 1 1 22 22 LEU HG H 1 1.658 0.030 . 1 . . . . 22 LEU HG . 11413 1 212 . 1 1 22 22 LEU CA C 13 56.824 0.300 . 1 . . . . 22 LEU CA . 11413 1 213 . 1 1 22 22 LEU CB C 13 40.318 0.300 . 1 . . . . 22 LEU CB . 11413 1 214 . 1 1 22 22 LEU CD1 C 13 22.066 0.300 . 2 . . . . 22 LEU CD1 . 11413 1 215 . 1 1 22 22 LEU CD2 C 13 24.955 0.300 . 2 . . . . 22 LEU CD2 . 11413 1 216 . 1 1 22 22 LEU CG C 13 27.066 0.300 . 1 . . . . 22 LEU CG . 11413 1 217 . 1 1 22 22 LEU N N 15 125.158 0.300 . 1 . . . . 22 LEU N . 11413 1 218 . 1 1 23 23 TYR H H 1 7.764 0.030 . 1 . . . . 23 TYR H . 11413 1 219 . 1 1 23 23 TYR HA H 1 4.558 0.030 . 1 . . . . 23 TYR HA . 11413 1 220 . 1 1 23 23 TYR HB2 H 1 3.293 0.030 . 2 . . . . 23 TYR HB2 . 11413 1 221 . 1 1 23 23 TYR HB3 H 1 2.746 0.030 . 2 . . . . 23 TYR HB3 . 11413 1 222 . 1 1 23 23 TYR HD1 H 1 7.142 0.030 . 1 . . . . 23 TYR HD1 . 11413 1 223 . 1 1 23 23 TYR HD2 H 1 7.142 0.030 . 1 . . . . 23 TYR HD2 . 11413 1 224 . 1 1 23 23 TYR HE1 H 1 6.865 0.030 . 1 . . . . 23 TYR HE1 . 11413 1 225 . 1 1 23 23 TYR HE2 H 1 6.865 0.030 . 1 . . . . 23 TYR HE2 . 11413 1 226 . 1 1 23 23 TYR CA C 13 57.316 0.300 . 1 . . . . 23 TYR CA . 11413 1 227 . 1 1 23 23 TYR CB C 13 38.547 0.300 . 1 . . . . 23 TYR CB . 11413 1 228 . 1 1 23 23 TYR CD1 C 13 133.035 0.300 . 1 . . . . 23 TYR CD1 . 11413 1 229 . 1 1 23 23 TYR CD2 C 13 133.035 0.300 . 1 . . . . 23 TYR CD2 . 11413 1 230 . 1 1 23 23 TYR CE1 C 13 118.265 0.300 . 1 . . . . 23 TYR CE1 . 11413 1 231 . 1 1 23 23 TYR CE2 C 13 118.265 0.300 . 1 . . . . 23 TYR CE2 . 11413 1 232 . 1 1 23 23 TYR N N 15 114.791 0.300 . 1 . . . . 23 TYR N . 11413 1 233 . 1 1 24 24 THR H H 1 7.117 0.030 . 1 . . . . 24 THR H . 11413 1 234 . 1 1 24 24 THR HA H 1 4.341 0.030 . 1 . . . . 24 THR HA . 11413 1 235 . 1 1 24 24 THR HB H 1 3.871 0.030 . 1 . . . . 24 THR HB . 11413 1 236 . 1 1 24 24 THR HG21 H 1 1.316 0.030 . 1 . . . . 24 THR HG2 . 11413 1 237 . 1 1 24 24 THR HG22 H 1 1.316 0.030 . 1 . . . . 24 THR HG2 . 11413 1 238 . 1 1 24 24 THR HG23 H 1 1.316 0.030 . 1 . . . . 24 THR HG2 . 11413 1 239 . 1 1 24 24 THR CA C 13 64.693 0.300 . 1 . . . . 24 THR CA . 11413 1 240 . 1 1 24 24 THR CB C 13 69.171 0.300 . 1 . . . . 24 THR CB . 11413 1 241 . 1 1 24 24 THR CG2 C 13 23.193 0.300 . 1 . . . . 24 THR CG2 . 11413 1 242 . 1 1 24 24 THR N N 15 119.450 0.300 . 1 . . . . 24 THR N . 11413 1 243 . 1 1 25 25 THR H H 1 9.259 0.030 . 1 . . . . 25 THR H . 11413 1 244 . 1 1 25 25 THR HA H 1 4.622 0.030 . 1 . . . . 25 THR HA . 11413 1 245 . 1 1 25 25 THR HB H 1 4.738 0.030 . 1 . . . . 25 THR HB . 11413 1 246 . 1 1 25 25 THR HG21 H 1 1.399 0.030 . 1 . . . . 25 THR HG2 . 11413 1 247 . 1 1 25 25 THR HG22 H 1 1.399 0.030 . 1 . . . . 25 THR HG2 . 11413 1 248 . 1 1 25 25 THR HG23 H 1 1.399 0.030 . 1 . . . . 25 THR HG2 . 11413 1 249 . 1 1 25 25 THR CA C 13 60.557 0.300 . 1 . . . . 25 THR CA . 11413 1 250 . 1 1 25 25 THR CB C 13 72.959 0.300 . 1 . . . . 25 THR CB . 11413 1 251 . 1 1 25 25 THR CG2 C 13 21.739 0.300 . 1 . . . . 25 THR CG2 . 11413 1 252 . 1 1 25 25 THR N N 15 119.908 0.300 . 1 . . . . 25 THR N . 11413 1 253 . 1 1 26 26 GLU H H 1 9.494 0.030 . 1 . . . . 26 GLU H . 11413 1 254 . 1 1 26 26 GLU HA H 1 3.679 0.030 . 1 . . . . 26 GLU HA . 11413 1 255 . 1 1 26 26 GLU HB2 H 1 2.209 0.030 . 2 . . . . 26 GLU HB2 . 11413 1 256 . 1 1 26 26 GLU HB3 H 1 1.953 0.030 . 2 . . . . 26 GLU HB3 . 11413 1 257 . 1 1 26 26 GLU HG2 H 1 2.466 0.030 . 2 . . . . 26 GLU HG2 . 11413 1 258 . 1 1 26 26 GLU HG3 H 1 2.293 0.030 . 2 . . . . 26 GLU HG3 . 11413 1 259 . 1 1 26 26 GLU CA C 13 61.058 0.300 . 1 . . . . 26 GLU CA . 11413 1 260 . 1 1 26 26 GLU CB C 13 28.672 0.300 . 1 . . . . 26 GLU CB . 11413 1 261 . 1 1 26 26 GLU CG C 13 37.512 0.300 . 1 . . . . 26 GLU CG . 11413 1 262 . 1 1 26 26 GLU N N 15 121.041 0.300 . 1 . . . . 26 GLU N . 11413 1 263 . 1 1 27 27 ARG H H 1 8.190 0.030 . 1 . . . . 27 ARG H . 11413 1 264 . 1 1 27 27 ARG HA H 1 3.964 0.030 . 1 . . . . 27 ARG HA . 11413 1 265 . 1 1 27 27 ARG HB2 H 1 1.942 0.030 . 2 . . . . 27 ARG HB2 . 11413 1 266 . 1 1 27 27 ARG HB3 H 1 1.751 0.030 . 2 . . . . 27 ARG HB3 . 11413 1 267 . 1 1 27 27 ARG HD2 H 1 3.175 0.030 . 2 . . . . 27 ARG HD2 . 11413 1 268 . 1 1 27 27 ARG HD3 H 1 3.114 0.030 . 2 . . . . 27 ARG HD3 . 11413 1 269 . 1 1 27 27 ARG HG2 H 1 1.621 0.030 . 2 . . . . 27 ARG HG2 . 11413 1 270 . 1 1 27 27 ARG HG3 H 1 1.739 0.030 . 2 . . . . 27 ARG HG3 . 11413 1 271 . 1 1 27 27 ARG CA C 13 59.534 0.300 . 1 . . . . 27 ARG CA . 11413 1 272 . 1 1 27 27 ARG CB C 13 29.775 0.300 . 1 . . . . 27 ARG CB . 11413 1 273 . 1 1 27 27 ARG CD C 13 43.420 0.300 . 1 . . . . 27 ARG CD . 11413 1 274 . 1 1 27 27 ARG CG C 13 26.863 0.300 . 1 . . . . 27 ARG CG . 11413 1 275 . 1 1 27 27 ARG N N 15 119.476 0.300 . 1 . . . . 27 ARG N . 11413 1 276 . 1 1 28 28 ASP H H 1 7.523 0.030 . 1 . . . . 28 ASP H . 11413 1 277 . 1 1 28 28 ASP HA H 1 4.366 0.030 . 1 . . . . 28 ASP HA . 11413 1 278 . 1 1 28 28 ASP HB2 H 1 3.125 0.030 . 2 . . . . 28 ASP HB2 . 11413 1 279 . 1 1 28 28 ASP HB3 H 1 2.674 0.030 . 2 . . . . 28 ASP HB3 . 11413 1 280 . 1 1 28 28 ASP CA C 13 57.432 0.300 . 1 . . . . 28 ASP CA . 11413 1 281 . 1 1 28 28 ASP CB C 13 41.204 0.300 . 1 . . . . 28 ASP CB . 11413 1 282 . 1 1 28 28 ASP N N 15 119.598 0.300 . 1 . . . . 28 ASP N . 11413 1 283 . 1 1 29 29 LEU H H 1 7.734 0.030 . 1 . . . . 29 LEU H . 11413 1 284 . 1 1 29 29 LEU HA H 1 4.101 0.030 . 1 . . . . 29 LEU HA . 11413 1 285 . 1 1 29 29 LEU HB2 H 1 1.977 0.030 . 2 . . . . 29 LEU HB2 . 11413 1 286 . 1 1 29 29 LEU HB3 H 1 1.244 0.030 . 2 . . . . 29 LEU HB3 . 11413 1 287 . 1 1 29 29 LEU HD11 H 1 0.516 0.030 . 1 . . . . 29 LEU HD1 . 11413 1 288 . 1 1 29 29 LEU HD12 H 1 0.516 0.030 . 1 . . . . 29 LEU HD1 . 11413 1 289 . 1 1 29 29 LEU HD13 H 1 0.516 0.030 . 1 . . . . 29 LEU HD1 . 11413 1 290 . 1 1 29 29 LEU HD21 H 1 0.728 0.030 . 1 . . . . 29 LEU HD2 . 11413 1 291 . 1 1 29 29 LEU HD22 H 1 0.728 0.030 . 1 . . . . 29 LEU HD2 . 11413 1 292 . 1 1 29 29 LEU HD23 H 1 0.728 0.030 . 1 . . . . 29 LEU HD2 . 11413 1 293 . 1 1 29 29 LEU HG H 1 1.673 0.030 . 1 . . . . 29 LEU HG . 11413 1 294 . 1 1 29 29 LEU CA C 13 57.579 0.300 . 1 . . . . 29 LEU CA . 11413 1 295 . 1 1 29 29 LEU CB C 13 42.751 0.300 . 1 . . . . 29 LEU CB . 11413 1 296 . 1 1 29 29 LEU CD1 C 13 26.387 0.300 . 2 . . . . 29 LEU CD1 . 11413 1 297 . 1 1 29 29 LEU CD2 C 13 23.590 0.300 . 2 . . . . 29 LEU CD2 . 11413 1 298 . 1 1 29 29 LEU CG C 13 26.590 0.300 . 1 . . . . 29 LEU CG . 11413 1 299 . 1 1 29 29 LEU N N 15 117.348 0.300 . 1 . . . . 29 LEU N . 11413 1 300 . 1 1 30 30 ARG H H 1 8.739 0.030 . 1 . . . . 30 ARG H . 11413 1 301 . 1 1 30 30 ARG HA H 1 3.774 0.030 . 1 . . . . 30 ARG HA . 11413 1 302 . 1 1 30 30 ARG HB2 H 1 1.955 0.030 . 1 . . . . 30 ARG HB2 . 11413 1 303 . 1 1 30 30 ARG HB3 H 1 1.955 0.030 . 1 . . . . 30 ARG HB3 . 11413 1 304 . 1 1 30 30 ARG HD2 H 1 3.289 0.030 . 2 . . . . 30 ARG HD2 . 11413 1 305 . 1 1 30 30 ARG HD3 H 1 3.120 0.030 . 2 . . . . 30 ARG HD3 . 11413 1 306 . 1 1 30 30 ARG HG2 H 1 1.606 0.030 . 2 . . . . 30 ARG HG2 . 11413 1 307 . 1 1 30 30 ARG HG3 H 1 1.497 0.030 . 2 . . . . 30 ARG HG3 . 11413 1 308 . 1 1 30 30 ARG CA C 13 60.716 0.300 . 1 . . . . 30 ARG CA . 11413 1 309 . 1 1 30 30 ARG CB C 13 30.122 0.300 . 1 . . . . 30 ARG CB . 11413 1 310 . 1 1 30 30 ARG CD C 13 43.193 0.300 . 1 . . . . 30 ARG CD . 11413 1 311 . 1 1 30 30 ARG CG C 13 29.615 0.300 . 1 . . . . 30 ARG CG . 11413 1 312 . 1 1 30 30 ARG N N 15 120.064 0.300 . 1 . . . . 30 ARG N . 11413 1 313 . 1 1 31 31 GLU H H 1 8.167 0.030 . 1 . . . . 31 GLU H . 11413 1 314 . 1 1 31 31 GLU HA H 1 3.973 0.030 . 1 . . . . 31 GLU HA . 11413 1 315 . 1 1 31 31 GLU HB2 H 1 2.190 0.030 . 2 . . . . 31 GLU HB2 . 11413 1 316 . 1 1 31 31 GLU HB3 H 1 2.153 0.030 . 2 . . . . 31 GLU HB3 . 11413 1 317 . 1 1 31 31 GLU HG2 H 1 2.372 0.030 . 2 . . . . 31 GLU HG2 . 11413 1 318 . 1 1 31 31 GLU HG3 H 1 2.289 0.030 . 2 . . . . 31 GLU HG3 . 11413 1 319 . 1 1 31 31 GLU CA C 13 59.666 0.300 . 1 . . . . 31 GLU CA . 11413 1 320 . 1 1 31 31 GLU CB C 13 29.348 0.300 . 1 . . . . 31 GLU CB . 11413 1 321 . 1 1 31 31 GLU CG C 13 36.239 0.300 . 1 . . . . 31 GLU CG . 11413 1 322 . 1 1 31 31 GLU N N 15 119.723 0.300 . 1 . . . . 31 GLU N . 11413 1 323 . 1 1 32 32 VAL H H 1 7.591 0.030 . 1 . . . . 32 VAL H . 11413 1 324 . 1 1 32 32 VAL HA H 1 3.719 0.030 . 1 . . . . 32 VAL HA . 11413 1 325 . 1 1 32 32 VAL HB H 1 1.979 0.030 . 1 . . . . 32 VAL HB . 11413 1 326 . 1 1 32 32 VAL HG11 H 1 1.046 0.030 . 1 . . . . 32 VAL HG1 . 11413 1 327 . 1 1 32 32 VAL HG12 H 1 1.046 0.030 . 1 . . . . 32 VAL HG1 . 11413 1 328 . 1 1 32 32 VAL HG13 H 1 1.046 0.030 . 1 . . . . 32 VAL HG1 . 11413 1 329 . 1 1 32 32 VAL HG21 H 1 0.449 0.030 . 1 . . . . 32 VAL HG2 . 11413 1 330 . 1 1 32 32 VAL HG22 H 1 0.449 0.030 . 1 . . . . 32 VAL HG2 . 11413 1 331 . 1 1 32 32 VAL HG23 H 1 0.449 0.030 . 1 . . . . 32 VAL HG2 . 11413 1 332 . 1 1 32 32 VAL CA C 13 65.672 0.300 . 1 . . . . 32 VAL CA . 11413 1 333 . 1 1 32 32 VAL CB C 13 32.740 0.300 . 1 . . . . 32 VAL CB . 11413 1 334 . 1 1 32 32 VAL CG1 C 13 22.521 0.300 . 2 . . . . 32 VAL CG1 . 11413 1 335 . 1 1 32 32 VAL CG2 C 13 20.864 0.300 . 2 . . . . 32 VAL CG2 . 11413 1 336 . 1 1 32 32 VAL N N 15 116.575 0.300 . 1 . . . . 32 VAL N . 11413 1 337 . 1 1 33 33 PHE H H 1 8.496 0.030 . 1 . . . . 33 PHE H . 11413 1 338 . 1 1 33 33 PHE HA H 1 4.539 0.030 . 1 . . . . 33 PHE HA . 11413 1 339 . 1 1 33 33 PHE HB2 H 1 3.354 0.030 . 2 . . . . 33 PHE HB2 . 11413 1 340 . 1 1 33 33 PHE HB3 H 1 2.838 0.030 . 2 . . . . 33 PHE HB3 . 11413 1 341 . 1 1 33 33 PHE HD1 H 1 7.624 0.030 . 1 . . . . 33 PHE HD1 . 11413 1 342 . 1 1 33 33 PHE HD2 H 1 7.624 0.030 . 1 . . . . 33 PHE HD2 . 11413 1 343 . 1 1 33 33 PHE HE1 H 1 6.977 0.030 . 1 . . . . 33 PHE HE1 . 11413 1 344 . 1 1 33 33 PHE HE2 H 1 6.977 0.030 . 1 . . . . 33 PHE HE2 . 11413 1 345 . 1 1 33 33 PHE HZ H 1 6.964 0.030 . 1 . . . . 33 PHE HZ . 11413 1 346 . 1 1 33 33 PHE CA C 13 62.968 0.300 . 1 . . . . 33 PHE CA . 11413 1 347 . 1 1 33 33 PHE CB C 13 38.558 0.300 . 1 . . . . 33 PHE CB . 11413 1 348 . 1 1 33 33 PHE CD1 C 13 131.181 0.300 . 1 . . . . 33 PHE CD1 . 11413 1 349 . 1 1 33 33 PHE CD2 C 13 131.181 0.300 . 1 . . . . 33 PHE CD2 . 11413 1 350 . 1 1 33 33 PHE CE1 C 13 130.380 0.300 . 1 . . . . 33 PHE CE1 . 11413 1 351 . 1 1 33 33 PHE CE2 C 13 130.380 0.300 . 1 . . . . 33 PHE CE2 . 11413 1 352 . 1 1 33 33 PHE CZ C 13 129.387 0.300 . 1 . . . . 33 PHE CZ . 11413 1 353 . 1 1 33 33 PHE N N 15 114.621 0.300 . 1 . . . . 33 PHE N . 11413 1 354 . 1 1 34 34 SER H H 1 8.404 0.030 . 1 . . . . 34 SER H . 11413 1 355 . 1 1 34 34 SER HA H 1 4.840 0.030 . 1 . . . . 34 SER HA . 11413 1 356 . 1 1 34 34 SER HB2 H 1 4.082 0.030 . 2 . . . . 34 SER HB2 . 11413 1 357 . 1 1 34 34 SER HB3 H 1 4.025 0.030 . 2 . . . . 34 SER HB3 . 11413 1 358 . 1 1 34 34 SER CA C 13 61.070 0.300 . 1 . . . . 34 SER CA . 11413 1 359 . 1 1 34 34 SER CB C 13 62.988 0.300 . 1 . . . . 34 SER CB . 11413 1 360 . 1 1 34 34 SER N N 15 115.075 0.300 . 1 . . . . 34 SER N . 11413 1 361 . 1 1 35 35 LYS H H 1 6.944 0.030 . 1 . . . . 35 LYS H . 11413 1 362 . 1 1 35 35 LYS HA H 1 3.964 0.030 . 1 . . . . 35 LYS HA . 11413 1 363 . 1 1 35 35 LYS HB2 H 1 1.331 0.030 . 1 . . . . 35 LYS HB2 . 11413 1 364 . 1 1 35 35 LYS HB3 H 1 1.331 0.030 . 1 . . . . 35 LYS HB3 . 11413 1 365 . 1 1 35 35 LYS HD2 H 1 1.483 0.030 . 1 . . . . 35 LYS HD2 . 11413 1 366 . 1 1 35 35 LYS HD3 H 1 1.483 0.030 . 1 . . . . 35 LYS HD3 . 11413 1 367 . 1 1 35 35 LYS HE2 H 1 2.872 0.030 . 1 . . . . 35 LYS HE2 . 11413 1 368 . 1 1 35 35 LYS HE3 H 1 2.872 0.030 . 1 . . . . 35 LYS HE3 . 11413 1 369 . 1 1 35 35 LYS HG2 H 1 1.100 0.030 . 2 . . . . 35 LYS HG2 . 11413 1 370 . 1 1 35 35 LYS HG3 H 1 0.991 0.030 . 2 . . . . 35 LYS HG3 . 11413 1 371 . 1 1 35 35 LYS CA C 13 57.797 0.300 . 1 . . . . 35 LYS CA . 11413 1 372 . 1 1 35 35 LYS CB C 13 31.570 0.300 . 1 . . . . 35 LYS CB . 11413 1 373 . 1 1 35 35 LYS CD C 13 28.625 0.300 . 1 . . . . 35 LYS CD . 11413 1 374 . 1 1 35 35 LYS CE C 13 41.992 0.300 . 1 . . . . 35 LYS CE . 11413 1 375 . 1 1 35 35 LYS CG C 13 23.853 0.300 . 1 . . . . 35 LYS CG . 11413 1 376 . 1 1 35 35 LYS N N 15 119.348 0.300 . 1 . . . . 35 LYS N . 11413 1 377 . 1 1 36 36 TYR H H 1 7.634 0.030 . 1 . . . . 36 TYR H . 11413 1 378 . 1 1 36 36 TYR HA H 1 4.456 0.030 . 1 . . . . 36 TYR HA . 11413 1 379 . 1 1 36 36 TYR HB2 H 1 3.351 0.030 . 2 . . . . 36 TYR HB2 . 11413 1 380 . 1 1 36 36 TYR HB3 H 1 3.019 0.030 . 2 . . . . 36 TYR HB3 . 11413 1 381 . 1 1 36 36 TYR HD1 H 1 7.405 0.030 . 1 . . . . 36 TYR HD1 . 11413 1 382 . 1 1 36 36 TYR HD2 H 1 7.405 0.030 . 1 . . . . 36 TYR HD2 . 11413 1 383 . 1 1 36 36 TYR HE1 H 1 6.504 0.030 . 1 . . . . 36 TYR HE1 . 11413 1 384 . 1 1 36 36 TYR HE2 H 1 6.504 0.030 . 1 . . . . 36 TYR HE2 . 11413 1 385 . 1 1 36 36 TYR CA C 13 58.947 0.300 . 1 . . . . 36 TYR CA . 11413 1 386 . 1 1 36 36 TYR CB C 13 38.672 0.300 . 1 . . . . 36 TYR CB . 11413 1 387 . 1 1 36 36 TYR CD1 C 13 132.931 0.300 . 1 . . . . 36 TYR CD1 . 11413 1 388 . 1 1 36 36 TYR CD2 C 13 132.931 0.300 . 1 . . . . 36 TYR CD2 . 11413 1 389 . 1 1 36 36 TYR CE1 C 13 117.995 0.300 . 1 . . . . 36 TYR CE1 . 11413 1 390 . 1 1 36 36 TYR CE2 C 13 117.995 0.300 . 1 . . . . 36 TYR CE2 . 11413 1 391 . 1 1 36 36 TYR N N 15 116.371 0.300 . 1 . . . . 36 TYR N . 11413 1 392 . 1 1 37 37 GLY H H 1 7.352 0.030 . 1 . . . . 37 GLY H . 11413 1 393 . 1 1 37 37 GLY HA2 H 1 4.902 0.030 . 2 . . . . 37 GLY HA2 . 11413 1 394 . 1 1 37 37 GLY HA3 H 1 3.901 0.030 . 2 . . . . 37 GLY HA3 . 11413 1 395 . 1 1 37 37 GLY CA C 13 44.662 0.300 . 1 . . . . 37 GLY CA . 11413 1 396 . 1 1 37 37 GLY N N 15 106.450 0.300 . 1 . . . . 37 GLY N . 11413 1 397 . 1 1 38 38 PRO HA H 1 4.436 0.030 . 1 . . . . 38 PRO HA . 11413 1 398 . 1 1 38 38 PRO HB2 H 1 2.254 0.030 . 2 . . . . 38 PRO HB2 . 11413 1 399 . 1 1 38 38 PRO HB3 H 1 1.889 0.030 . 2 . . . . 38 PRO HB3 . 11413 1 400 . 1 1 38 38 PRO HD2 H 1 3.917 0.030 . 2 . . . . 38 PRO HD2 . 11413 1 401 . 1 1 38 38 PRO HD3 H 1 3.579 0.030 . 2 . . . . 38 PRO HD3 . 11413 1 402 . 1 1 38 38 PRO HG2 H 1 2.207 0.030 . 2 . . . . 38 PRO HG2 . 11413 1 403 . 1 1 38 38 PRO HG3 H 1 2.047 0.030 . 2 . . . . 38 PRO HG3 . 11413 1 404 . 1 1 38 38 PRO CA C 13 63.241 0.300 . 1 . . . . 38 PRO CA . 11413 1 405 . 1 1 38 38 PRO CB C 13 32.182 0.300 . 1 . . . . 38 PRO CB . 11413 1 406 . 1 1 38 38 PRO CD C 13 49.534 0.300 . 1 . . . . 38 PRO CD . 11413 1 407 . 1 1 38 38 PRO CG C 13 27.988 0.300 . 1 . . . . 38 PRO CG . 11413 1 408 . 1 1 39 39 ILE H H 1 8.516 0.030 . 1 . . . . 39 ILE H . 11413 1 409 . 1 1 39 39 ILE HA H 1 4.019 0.030 . 1 . . . . 39 ILE HA . 11413 1 410 . 1 1 39 39 ILE HB H 1 1.701 0.030 . 1 . . . . 39 ILE HB . 11413 1 411 . 1 1 39 39 ILE HD11 H 1 0.202 0.030 . 1 . . . . 39 ILE HD1 . 11413 1 412 . 1 1 39 39 ILE HD12 H 1 0.202 0.030 . 1 . . . . 39 ILE HD1 . 11413 1 413 . 1 1 39 39 ILE HD13 H 1 0.202 0.030 . 1 . . . . 39 ILE HD1 . 11413 1 414 . 1 1 39 39 ILE HG12 H 1 1.340 0.030 . 2 . . . . 39 ILE HG12 . 11413 1 415 . 1 1 39 39 ILE HG13 H 1 0.839 0.030 . 2 . . . . 39 ILE HG13 . 11413 1 416 . 1 1 39 39 ILE HG21 H 1 0.497 0.030 . 1 . . . . 39 ILE HG2 . 11413 1 417 . 1 1 39 39 ILE HG22 H 1 0.497 0.030 . 1 . . . . 39 ILE HG2 . 11413 1 418 . 1 1 39 39 ILE HG23 H 1 0.497 0.030 . 1 . . . . 39 ILE HG2 . 11413 1 419 . 1 1 39 39 ILE CA C 13 59.054 0.300 . 1 . . . . 39 ILE CA . 11413 1 420 . 1 1 39 39 ILE CB C 13 39.419 0.300 . 1 . . . . 39 ILE CB . 11413 1 421 . 1 1 39 39 ILE CD1 C 13 12.349 0.300 . 1 . . . . 39 ILE CD1 . 11413 1 422 . 1 1 39 39 ILE CG1 C 13 27.093 0.300 . 1 . . . . 39 ILE CG1 . 11413 1 423 . 1 1 39 39 ILE CG2 C 13 18.294 0.300 . 1 . . . . 39 ILE CG2 . 11413 1 424 . 1 1 39 39 ILE N N 15 124.252 0.300 . 1 . . . . 39 ILE N . 11413 1 425 . 1 1 40 40 ALA H H 1 9.105 0.030 . 1 . . . . 40 ALA H . 11413 1 426 . 1 1 40 40 ALA HA H 1 4.391 0.030 . 1 . . . . 40 ALA HA . 11413 1 427 . 1 1 40 40 ALA HB1 H 1 1.189 0.030 . 1 . . . . 40 ALA HB . 11413 1 428 . 1 1 40 40 ALA HB2 H 1 1.189 0.030 . 1 . . . . 40 ALA HB . 11413 1 429 . 1 1 40 40 ALA HB3 H 1 1.189 0.030 . 1 . . . . 40 ALA HB . 11413 1 430 . 1 1 40 40 ALA CA C 13 53.491 0.300 . 1 . . . . 40 ALA CA . 11413 1 431 . 1 1 40 40 ALA CB C 13 19.766 0.300 . 1 . . . . 40 ALA CB . 11413 1 432 . 1 1 40 40 ALA N N 15 131.121 0.300 . 1 . . . . 40 ALA N . 11413 1 433 . 1 1 41 41 ASP H H 1 7.667 0.030 . 1 . . . . 41 ASP H . 11413 1 434 . 1 1 41 41 ASP HA H 1 4.700 0.030 . 1 . . . . 41 ASP HA . 11413 1 435 . 1 1 41 41 ASP HB2 H 1 2.579 0.030 . 2 . . . . 41 ASP HB2 . 11413 1 436 . 1 1 41 41 ASP HB3 H 1 2.168 0.030 . 2 . . . . 41 ASP HB3 . 11413 1 437 . 1 1 41 41 ASP CA C 13 54.221 0.300 . 1 . . . . 41 ASP CA . 11413 1 438 . 1 1 41 41 ASP CB C 13 43.890 0.300 . 1 . . . . 41 ASP CB . 11413 1 439 . 1 1 41 41 ASP N N 15 114.355 0.300 . 1 . . . . 41 ASP N . 11413 1 440 . 1 1 42 42 VAL H H 1 8.261 0.030 . 1 . . . . 42 VAL H . 11413 1 441 . 1 1 42 42 VAL HA H 1 4.747 0.030 . 1 . . . . 42 VAL HA . 11413 1 442 . 1 1 42 42 VAL HB H 1 1.924 0.030 . 1 . . . . 42 VAL HB . 11413 1 443 . 1 1 42 42 VAL HG11 H 1 0.867 0.030 . 1 . . . . 42 VAL HG1 . 11413 1 444 . 1 1 42 42 VAL HG12 H 1 0.867 0.030 . 1 . . . . 42 VAL HG1 . 11413 1 445 . 1 1 42 42 VAL HG13 H 1 0.867 0.030 . 1 . . . . 42 VAL HG1 . 11413 1 446 . 1 1 42 42 VAL HG21 H 1 0.864 0.030 . 1 . . . . 42 VAL HG2 . 11413 1 447 . 1 1 42 42 VAL HG22 H 1 0.864 0.030 . 1 . . . . 42 VAL HG2 . 11413 1 448 . 1 1 42 42 VAL HG23 H 1 0.864 0.030 . 1 . . . . 42 VAL HG2 . 11413 1 449 . 1 1 42 42 VAL CA C 13 61.590 0.300 . 1 . . . . 42 VAL CA . 11413 1 450 . 1 1 42 42 VAL CB C 13 35.422 0.300 . 1 . . . . 42 VAL CB . 11413 1 451 . 1 1 42 42 VAL CG1 C 13 21.999 0.300 . 2 . . . . 42 VAL CG1 . 11413 1 452 . 1 1 42 42 VAL CG2 C 13 22.559 0.300 . 2 . . . . 42 VAL CG2 . 11413 1 453 . 1 1 42 42 VAL N N 15 120.769 0.300 . 1 . . . . 42 VAL N . 11413 1 454 . 1 1 43 43 SER H H 1 9.044 0.030 . 1 . . . . 43 SER H . 11413 1 455 . 1 1 43 43 SER HA H 1 5.017 0.030 . 1 . . . . 43 SER HA . 11413 1 456 . 1 1 43 43 SER HB2 H 1 3.923 0.030 . 2 . . . . 43 SER HB2 . 11413 1 457 . 1 1 43 43 SER HB3 H 1 3.794 0.030 . 2 . . . . 43 SER HB3 . 11413 1 458 . 1 1 43 43 SER CA C 13 56.502 0.300 . 1 . . . . 43 SER CA . 11413 1 459 . 1 1 43 43 SER CB C 13 65.511 0.300 . 1 . . . . 43 SER CB . 11413 1 460 . 1 1 43 43 SER N N 15 120.769 0.300 . 1 . . . . 43 SER N . 11413 1 461 . 1 1 44 44 ILE H H 1 8.954 0.030 . 1 . . . . 44 ILE H . 11413 1 462 . 1 1 44 44 ILE HA H 1 3.826 0.030 . 1 . . . . 44 ILE HA . 11413 1 463 . 1 1 44 44 ILE HB H 1 1.529 0.030 . 1 . . . . 44 ILE HB . 11413 1 464 . 1 1 44 44 ILE HD11 H 1 0.582 0.030 . 1 . . . . 44 ILE HD1 . 11413 1 465 . 1 1 44 44 ILE HD12 H 1 0.582 0.030 . 1 . . . . 44 ILE HD1 . 11413 1 466 . 1 1 44 44 ILE HD13 H 1 0.582 0.030 . 1 . . . . 44 ILE HD1 . 11413 1 467 . 1 1 44 44 ILE HG12 H 1 1.353 0.030 . 2 . . . . 44 ILE HG12 . 11413 1 468 . 1 1 44 44 ILE HG13 H 1 0.674 0.030 . 2 . . . . 44 ILE HG13 . 11413 1 469 . 1 1 44 44 ILE HG21 H 1 0.160 0.030 . 1 . . . . 44 ILE HG2 . 11413 1 470 . 1 1 44 44 ILE HG22 H 1 0.160 0.030 . 1 . . . . 44 ILE HG2 . 11413 1 471 . 1 1 44 44 ILE HG23 H 1 0.160 0.030 . 1 . . . . 44 ILE HG2 . 11413 1 472 . 1 1 44 44 ILE CA C 13 61.245 0.300 . 1 . . . . 44 ILE CA . 11413 1 473 . 1 1 44 44 ILE CB C 13 38.547 0.300 . 1 . . . . 44 ILE CB . 11413 1 474 . 1 1 44 44 ILE CD1 C 13 13.113 0.300 . 1 . . . . 44 ILE CD1 . 11413 1 475 . 1 1 44 44 ILE CG1 C 13 29.991 0.300 . 1 . . . . 44 ILE CG1 . 11413 1 476 . 1 1 44 44 ILE CG2 C 13 16.348 0.300 . 1 . . . . 44 ILE CG2 . 11413 1 477 . 1 1 44 44 ILE N N 15 128.200 0.300 . 1 . . . . 44 ILE N . 11413 1 478 . 1 1 45 45 VAL H H 1 7.532 0.030 . 1 . . . . 45 VAL H . 11413 1 479 . 1 1 45 45 VAL HA H 1 3.798 0.030 . 1 . . . . 45 VAL HA . 11413 1 480 . 1 1 45 45 VAL HB H 1 0.718 0.030 . 1 . . . . 45 VAL HB . 11413 1 481 . 1 1 45 45 VAL HG11 H 1 0.711 0.030 . 1 . . . . 45 VAL HG1 . 11413 1 482 . 1 1 45 45 VAL HG12 H 1 0.711 0.030 . 1 . . . . 45 VAL HG1 . 11413 1 483 . 1 1 45 45 VAL HG13 H 1 0.711 0.030 . 1 . . . . 45 VAL HG1 . 11413 1 484 . 1 1 45 45 VAL HG21 H 1 0.608 0.030 . 1 . . . . 45 VAL HG2 . 11413 1 485 . 1 1 45 45 VAL HG22 H 1 0.608 0.030 . 1 . . . . 45 VAL HG2 . 11413 1 486 . 1 1 45 45 VAL HG23 H 1 0.608 0.030 . 1 . . . . 45 VAL HG2 . 11413 1 487 . 1 1 45 45 VAL CA C 13 62.988 0.300 . 1 . . . . 45 VAL CA . 11413 1 488 . 1 1 45 45 VAL CB C 13 30.606 0.300 . 1 . . . . 45 VAL CB . 11413 1 489 . 1 1 45 45 VAL CG1 C 13 21.774 0.300 . 2 . . . . 45 VAL CG1 . 11413 1 490 . 1 1 45 45 VAL CG2 C 13 21.849 0.300 . 2 . . . . 45 VAL CG2 . 11413 1 491 . 1 1 45 45 VAL N N 15 127.121 0.300 . 1 . . . . 45 VAL N . 11413 1 492 . 1 1 46 46 TYR H H 1 8.395 0.030 . 1 . . . . 46 TYR H . 11413 1 493 . 1 1 46 46 TYR HA H 1 4.710 0.030 . 1 . . . . 46 TYR HA . 11413 1 494 . 1 1 46 46 TYR HB2 H 1 2.595 0.030 . 2 . . . . 46 TYR HB2 . 11413 1 495 . 1 1 46 46 TYR HB3 H 1 2.537 0.030 . 2 . . . . 46 TYR HB3 . 11413 1 496 . 1 1 46 46 TYR HD1 H 1 6.866 0.030 . 1 . . . . 46 TYR HD1 . 11413 1 497 . 1 1 46 46 TYR HD2 H 1 6.866 0.030 . 1 . . . . 46 TYR HD2 . 11413 1 498 . 1 1 46 46 TYR HE1 H 1 6.758 0.030 . 1 . . . . 46 TYR HE1 . 11413 1 499 . 1 1 46 46 TYR HE2 H 1 6.758 0.030 . 1 . . . . 46 TYR HE2 . 11413 1 500 . 1 1 46 46 TYR CA C 13 57.274 0.300 . 1 . . . . 46 TYR CA . 11413 1 501 . 1 1 46 46 TYR CB C 13 40.992 0.300 . 1 . . . . 46 TYR CB . 11413 1 502 . 1 1 46 46 TYR CD1 C 13 133.296 0.300 . 1 . . . . 46 TYR CD1 . 11413 1 503 . 1 1 46 46 TYR CD2 C 13 133.296 0.300 . 1 . . . . 46 TYR CD2 . 11413 1 504 . 1 1 46 46 TYR CE1 C 13 117.844 0.300 . 1 . . . . 46 TYR CE1 . 11413 1 505 . 1 1 46 46 TYR CE2 C 13 117.844 0.300 . 1 . . . . 46 TYR CE2 . 11413 1 506 . 1 1 46 46 TYR N N 15 125.510 0.300 . 1 . . . . 46 TYR N . 11413 1 507 . 1 1 47 47 ASP H H 1 8.880 0.030 . 1 . . . . 47 ASP H . 11413 1 508 . 1 1 47 47 ASP HA H 1 4.568 0.030 . 1 . . . . 47 ASP HA . 11413 1 509 . 1 1 47 47 ASP HB2 H 1 3.057 0.030 . 2 . . . . 47 ASP HB2 . 11413 1 510 . 1 1 47 47 ASP HB3 H 1 2.534 0.030 . 2 . . . . 47 ASP HB3 . 11413 1 511 . 1 1 47 47 ASP CA C 13 54.126 0.300 . 1 . . . . 47 ASP CA . 11413 1 512 . 1 1 47 47 ASP CB C 13 42.511 0.300 . 1 . . . . 47 ASP CB . 11413 1 513 . 1 1 47 47 ASP N N 15 122.904 0.300 . 1 . . . . 47 ASP N . 11413 1 514 . 1 1 48 48 GLN H H 1 9.029 0.030 . 1 . . . . 48 GLN H . 11413 1 515 . 1 1 48 48 GLN HA H 1 4.024 0.030 . 1 . . . . 48 GLN HA . 11413 1 516 . 1 1 48 48 GLN HB2 H 1 2.176 0.030 . 2 . . . . 48 GLN HB2 . 11413 1 517 . 1 1 48 48 GLN HB3 H 1 2.119 0.030 . 2 . . . . 48 GLN HB3 . 11413 1 518 . 1 1 48 48 GLN HE21 H 1 7.544 0.030 . 2 . . . . 48 GLN HE21 . 11413 1 519 . 1 1 48 48 GLN HE22 H 1 6.934 0.030 . 2 . . . . 48 GLN HE22 . 11413 1 520 . 1 1 48 48 GLN HG2 H 1 2.482 0.030 . 1 . . . . 48 GLN HG2 . 11413 1 521 . 1 1 48 48 GLN HG3 H 1 2.482 0.030 . 1 . . . . 48 GLN HG3 . 11413 1 522 . 1 1 48 48 GLN CA C 13 58.488 0.300 . 1 . . . . 48 GLN CA . 11413 1 523 . 1 1 48 48 GLN CB C 13 28.705 0.300 . 1 . . . . 48 GLN CB . 11413 1 524 . 1 1 48 48 GLN CG C 13 34.015 0.300 . 1 . . . . 48 GLN CG . 11413 1 525 . 1 1 48 48 GLN N N 15 125.973 0.300 . 1 . . . . 48 GLN N . 11413 1 526 . 1 1 48 48 GLN NE2 N 15 112.529 0.300 . 1 . . . . 48 GLN NE2 . 11413 1 527 . 1 1 49 49 GLN H H 1 8.495 0.030 . 1 . . . . 49 GLN H . 11413 1 528 . 1 1 49 49 GLN HA H 1 4.296 0.030 . 1 . . . . 49 GLN HA . 11413 1 529 . 1 1 49 49 GLN HB2 H 1 2.183 0.030 . 1 . . . . 49 GLN HB2 . 11413 1 530 . 1 1 49 49 GLN HB3 H 1 2.183 0.030 . 1 . . . . 49 GLN HB3 . 11413 1 531 . 1 1 49 49 GLN HE21 H 1 7.601 0.030 . 2 . . . . 49 GLN HE21 . 11413 1 532 . 1 1 49 49 GLN HE22 H 1 6.868 0.030 . 2 . . . . 49 GLN HE22 . 11413 1 533 . 1 1 49 49 GLN HG2 H 1 2.424 0.030 . 2 . . . . 49 GLN HG2 . 11413 1 534 . 1 1 49 49 GLN HG3 H 1 2.383 0.030 . 2 . . . . 49 GLN HG3 . 11413 1 535 . 1 1 49 49 GLN CA C 13 57.991 0.300 . 1 . . . . 49 GLN CA . 11413 1 536 . 1 1 49 49 GLN CB C 13 29.034 0.300 . 1 . . . . 49 GLN CB . 11413 1 537 . 1 1 49 49 GLN CG C 13 34.317 0.300 . 1 . . . . 49 GLN CG . 11413 1 538 . 1 1 49 49 GLN N N 15 117.075 0.300 . 1 . . . . 49 GLN N . 11413 1 539 . 1 1 49 49 GLN NE2 N 15 112.360 0.300 . 1 . . . . 49 GLN NE2 . 11413 1 540 . 1 1 50 50 SER H H 1 8.360 0.030 . 1 . . . . 50 SER H . 11413 1 541 . 1 1 50 50 SER HA H 1 4.385 0.030 . 1 . . . . 50 SER HA . 11413 1 542 . 1 1 50 50 SER HB2 H 1 3.963 0.030 . 2 . . . . 50 SER HB2 . 11413 1 543 . 1 1 50 50 SER HB3 H 1 3.850 0.030 . 2 . . . . 50 SER HB3 . 11413 1 544 . 1 1 50 50 SER CA C 13 58.774 0.300 . 1 . . . . 50 SER CA . 11413 1 545 . 1 1 50 50 SER CB C 13 64.804 0.300 . 1 . . . . 50 SER CB . 11413 1 546 . 1 1 50 50 SER N N 15 113.518 0.300 . 1 . . . . 50 SER N . 11413 1 547 . 1 1 51 51 ARG H H 1 8.083 0.030 . 1 . . . . 51 ARG H . 11413 1 548 . 1 1 51 51 ARG HA H 1 3.934 0.030 . 1 . . . . 51 ARG HA . 11413 1 549 . 1 1 51 51 ARG HB2 H 1 2.081 0.030 . 2 . . . . 51 ARG HB2 . 11413 1 550 . 1 1 51 51 ARG HB3 H 1 1.967 0.030 . 2 . . . . 51 ARG HB3 . 11413 1 551 . 1 1 51 51 ARG HD2 H 1 3.115 0.030 . 2 . . . . 51 ARG HD2 . 11413 1 552 . 1 1 51 51 ARG HD3 H 1 3.071 0.030 . 2 . . . . 51 ARG HD3 . 11413 1 553 . 1 1 51 51 ARG HG2 H 1 1.541 0.030 . 2 . . . . 51 ARG HG2 . 11413 1 554 . 1 1 51 51 ARG HG3 H 1 1.463 0.030 . 2 . . . . 51 ARG HG3 . 11413 1 555 . 1 1 51 51 ARG CA C 13 57.284 0.300 . 1 . . . . 51 ARG CA . 11413 1 556 . 1 1 51 51 ARG CB C 13 26.849 0.300 . 1 . . . . 51 ARG CB . 11413 1 557 . 1 1 51 51 ARG CD C 13 42.825 0.300 . 1 . . . . 51 ARG CD . 11413 1 558 . 1 1 51 51 ARG CG C 13 27.037 0.300 . 1 . . . . 51 ARG CG . 11413 1 559 . 1 1 51 51 ARG N N 15 116.633 0.300 . 1 . . . . 51 ARG N . 11413 1 560 . 1 1 52 52 ARG H H 1 7.766 0.030 . 1 . . . . 52 ARG H . 11413 1 561 . 1 1 52 52 ARG HA H 1 4.550 0.030 . 1 . . . . 52 ARG HA . 11413 1 562 . 1 1 52 52 ARG HB2 H 1 1.862 0.030 . 2 . . . . 52 ARG HB2 . 11413 1 563 . 1 1 52 52 ARG HB3 H 1 1.689 0.030 . 2 . . . . 52 ARG HB3 . 11413 1 564 . 1 1 52 52 ARG HD2 H 1 3.178 0.030 . 1 . . . . 52 ARG HD2 . 11413 1 565 . 1 1 52 52 ARG HD3 H 1 3.178 0.030 . 1 . . . . 52 ARG HD3 . 11413 1 566 . 1 1 52 52 ARG HG2 H 1 1.681 0.030 . 1 . . . . 52 ARG HG2 . 11413 1 567 . 1 1 52 52 ARG HG3 H 1 1.681 0.030 . 1 . . . . 52 ARG HG3 . 11413 1 568 . 1 1 52 52 ARG CA C 13 55.172 0.300 . 1 . . . . 52 ARG CA . 11413 1 569 . 1 1 52 52 ARG CB C 13 32.265 0.300 . 1 . . . . 52 ARG CB . 11413 1 570 . 1 1 52 52 ARG CD C 13 43.547 0.300 . 1 . . . . 52 ARG CD . 11413 1 571 . 1 1 52 52 ARG CG C 13 27.317 0.300 . 1 . . . . 52 ARG CG . 11413 1 572 . 1 1 52 52 ARG N N 15 117.851 0.300 . 1 . . . . 52 ARG N . 11413 1 573 . 1 1 53 53 SER H H 1 8.886 0.030 . 1 . . . . 53 SER H . 11413 1 574 . 1 1 53 53 SER HA H 1 3.900 0.030 . 1 . . . . 53 SER HA . 11413 1 575 . 1 1 53 53 SER HB2 H 1 3.891 0.030 . 2 . . . . 53 SER HB2 . 11413 1 576 . 1 1 53 53 SER HB3 H 1 3.764 0.030 . 2 . . . . 53 SER HB3 . 11413 1 577 . 1 1 53 53 SER CA C 13 58.179 0.300 . 1 . . . . 53 SER CA . 11413 1 578 . 1 1 53 53 SER CB C 13 64.175 0.300 . 1 . . . . 53 SER CB . 11413 1 579 . 1 1 53 53 SER N N 15 117.291 0.300 . 1 . . . . 53 SER N . 11413 1 580 . 1 1 54 54 ARG H H 1 8.966 0.030 . 1 . . . . 54 ARG H . 11413 1 581 . 1 1 54 54 ARG HA H 1 4.375 0.030 . 1 . . . . 54 ARG HA . 11413 1 582 . 1 1 54 54 ARG HB2 H 1 1.236 0.030 . 2 . . . . 54 ARG HB2 . 11413 1 583 . 1 1 54 54 ARG HB3 H 1 2.225 0.030 . 2 . . . . 54 ARG HB3 . 11413 1 584 . 1 1 54 54 ARG HD2 H 1 3.225 0.030 . 2 . . . . 54 ARG HD2 . 11413 1 585 . 1 1 54 54 ARG HD3 H 1 3.081 0.030 . 2 . . . . 54 ARG HD3 . 11413 1 586 . 1 1 54 54 ARG HG2 H 1 1.634 0.030 . 1 . . . . 54 ARG HG2 . 11413 1 587 . 1 1 54 54 ARG HG3 H 1 1.634 0.030 . 1 . . . . 54 ARG HG3 . 11413 1 588 . 1 1 54 54 ARG CA C 13 56.366 0.300 . 1 . . . . 54 ARG CA . 11413 1 589 . 1 1 54 54 ARG CB C 13 30.501 0.300 . 1 . . . . 54 ARG CB . 11413 1 590 . 1 1 54 54 ARG CD C 13 43.519 0.300 . 1 . . . . 54 ARG CD . 11413 1 591 . 1 1 54 54 ARG CG C 13 28.103 0.300 . 1 . . . . 54 ARG CG . 11413 1 592 . 1 1 54 54 ARG N N 15 122.587 0.300 . 1 . . . . 54 ARG N . 11413 1 593 . 1 1 55 55 GLY H H 1 9.188 0.030 . 1 . . . . 55 GLY H . 11413 1 594 . 1 1 55 55 GLY HA2 H 1 4.086 0.030 . 2 . . . . 55 GLY HA2 . 11413 1 595 . 1 1 55 55 GLY HA3 H 1 3.210 0.030 . 2 . . . . 55 GLY HA3 . 11413 1 596 . 1 1 55 55 GLY CA C 13 46.024 0.300 . 1 . . . . 55 GLY CA . 11413 1 597 . 1 1 55 55 GLY N N 15 107.759 0.300 . 1 . . . . 55 GLY N . 11413 1 598 . 1 1 56 56 PHE H H 1 7.010 0.030 . 1 . . . . 56 PHE H . 11413 1 599 . 1 1 56 56 PHE HA H 1 5.221 0.030 . 1 . . . . 56 PHE HA . 11413 1 600 . 1 1 56 56 PHE HB2 H 1 3.225 0.030 . 2 . . . . 56 PHE HB2 . 11413 1 601 . 1 1 56 56 PHE HB3 H 1 2.568 0.030 . 2 . . . . 56 PHE HB3 . 11413 1 602 . 1 1 56 56 PHE HD1 H 1 6.703 0.030 . 1 . . . . 56 PHE HD1 . 11413 1 603 . 1 1 56 56 PHE HD2 H 1 6.703 0.030 . 1 . . . . 56 PHE HD2 . 11413 1 604 . 1 1 56 56 PHE HE1 H 1 7.221 0.030 . 1 . . . . 56 PHE HE1 . 11413 1 605 . 1 1 56 56 PHE HE2 H 1 7.221 0.030 . 1 . . . . 56 PHE HE2 . 11413 1 606 . 1 1 56 56 PHE HZ H 1 7.286 0.030 . 1 . . . . 56 PHE HZ . 11413 1 607 . 1 1 56 56 PHE CA C 13 54.909 0.300 . 1 . . . . 56 PHE CA . 11413 1 608 . 1 1 56 56 PHE CB C 13 41.820 0.300 . 1 . . . . 56 PHE CB . 11413 1 609 . 1 1 56 56 PHE CD1 C 13 132.660 0.300 . 1 . . . . 56 PHE CD1 . 11413 1 610 . 1 1 56 56 PHE CD2 C 13 132.660 0.300 . 1 . . . . 56 PHE CD2 . 11413 1 611 . 1 1 56 56 PHE CE1 C 13 131.181 0.300 . 1 . . . . 56 PHE CE1 . 11413 1 612 . 1 1 56 56 PHE CE2 C 13 131.181 0.300 . 1 . . . . 56 PHE CE2 . 11413 1 613 . 1 1 56 56 PHE CZ C 13 129.431 0.300 . 1 . . . . 56 PHE CZ . 11413 1 614 . 1 1 56 56 PHE N N 15 112.758 0.300 . 1 . . . . 56 PHE N . 11413 1 615 . 1 1 57 57 ALA H H 1 8.459 0.030 . 1 . . . . 57 ALA H . 11413 1 616 . 1 1 57 57 ALA HA H 1 4.665 0.030 . 1 . . . . 57 ALA HA . 11413 1 617 . 1 1 57 57 ALA HB1 H 1 0.815 0.030 . 1 . . . . 57 ALA HB . 11413 1 618 . 1 1 57 57 ALA HB2 H 1 0.815 0.030 . 1 . . . . 57 ALA HB . 11413 1 619 . 1 1 57 57 ALA HB3 H 1 0.815 0.030 . 1 . . . . 57 ALA HB . 11413 1 620 . 1 1 57 57 ALA CA C 13 49.693 0.300 . 1 . . . . 57 ALA CA . 11413 1 621 . 1 1 57 57 ALA CB C 13 26.330 0.300 . 1 . . . . 57 ALA CB . 11413 1 622 . 1 1 57 57 ALA N N 15 119.962 0.300 . 1 . . . . 57 ALA N . 11413 1 623 . 1 1 58 58 PHE H H 1 8.402 0.030 . 1 . . . . 58 PHE H . 11413 1 624 . 1 1 58 58 PHE HA H 1 5.288 0.030 . 1 . . . . 58 PHE HA . 11413 1 625 . 1 1 58 58 PHE HB2 H 1 2.538 0.030 . 2 . . . . 58 PHE HB2 . 11413 1 626 . 1 1 58 58 PHE HB3 H 1 2.481 0.030 . 2 . . . . 58 PHE HB3 . 11413 1 627 . 1 1 58 58 PHE HD1 H 1 7.013 0.030 . 1 . . . . 58 PHE HD1 . 11413 1 628 . 1 1 58 58 PHE HD2 H 1 7.013 0.030 . 1 . . . . 58 PHE HD2 . 11413 1 629 . 1 1 58 58 PHE HE1 H 1 7.292 0.030 . 1 . . . . 58 PHE HE1 . 11413 1 630 . 1 1 58 58 PHE HE2 H 1 7.292 0.030 . 1 . . . . 58 PHE HE2 . 11413 1 631 . 1 1 58 58 PHE HZ H 1 7.376 0.030 . 1 . . . . 58 PHE HZ . 11413 1 632 . 1 1 58 58 PHE CA C 13 56.534 0.300 . 1 . . . . 58 PHE CA . 11413 1 633 . 1 1 58 58 PHE CB C 13 42.478 0.300 . 1 . . . . 58 PHE CB . 11413 1 634 . 1 1 58 58 PHE CD1 C 13 131.927 0.300 . 1 . . . . 58 PHE CD1 . 11413 1 635 . 1 1 58 58 PHE CD2 C 13 131.927 0.300 . 1 . . . . 58 PHE CD2 . 11413 1 636 . 1 1 58 58 PHE CE1 C 13 130.887 0.300 . 1 . . . . 58 PHE CE1 . 11413 1 637 . 1 1 58 58 PHE CE2 C 13 130.887 0.300 . 1 . . . . 58 PHE CE2 . 11413 1 638 . 1 1 58 58 PHE CZ C 13 129.159 0.300 . 1 . . . . 58 PHE CZ . 11413 1 639 . 1 1 58 58 PHE N N 15 115.310 0.300 . 1 . . . . 58 PHE N . 11413 1 640 . 1 1 59 59 VAL H H 1 9.086 0.030 . 1 . . . . 59 VAL H . 11413 1 641 . 1 1 59 59 VAL HA H 1 4.228 0.030 . 1 . . . . 59 VAL HA . 11413 1 642 . 1 1 59 59 VAL HB H 1 1.391 0.030 . 1 . . . . 59 VAL HB . 11413 1 643 . 1 1 59 59 VAL HG11 H 1 0.261 0.030 . 1 . . . . 59 VAL HG1 . 11413 1 644 . 1 1 59 59 VAL HG12 H 1 0.261 0.030 . 1 . . . . 59 VAL HG1 . 11413 1 645 . 1 1 59 59 VAL HG13 H 1 0.261 0.030 . 1 . . . . 59 VAL HG1 . 11413 1 646 . 1 1 59 59 VAL HG21 H 1 0.252 0.030 . 1 . . . . 59 VAL HG2 . 11413 1 647 . 1 1 59 59 VAL HG22 H 1 0.252 0.030 . 1 . . . . 59 VAL HG2 . 11413 1 648 . 1 1 59 59 VAL HG23 H 1 0.252 0.030 . 1 . . . . 59 VAL HG2 . 11413 1 649 . 1 1 59 59 VAL CA C 13 61.245 0.300 . 1 . . . . 59 VAL CA . 11413 1 650 . 1 1 59 59 VAL CB C 13 34.305 0.300 . 1 . . . . 59 VAL CB . 11413 1 651 . 1 1 59 59 VAL CG1 C 13 20.626 0.300 . 2 . . . . 59 VAL CG1 . 11413 1 652 . 1 1 59 59 VAL CG2 C 13 21.495 0.300 . 2 . . . . 59 VAL CG2 . 11413 1 653 . 1 1 59 59 VAL N N 15 123.057 0.300 . 1 . . . . 59 VAL N . 11413 1 654 . 1 1 60 60 TYR H H 1 8.832 0.030 . 1 . . . . 60 TYR H . 11413 1 655 . 1 1 60 60 TYR HA H 1 5.053 0.030 . 1 . . . . 60 TYR HA . 11413 1 656 . 1 1 60 60 TYR HB2 H 1 2.872 0.030 . 2 . . . . 60 TYR HB2 . 11413 1 657 . 1 1 60 60 TYR HB3 H 1 2.815 0.030 . 2 . . . . 60 TYR HB3 . 11413 1 658 . 1 1 60 60 TYR HD1 H 1 6.950 0.030 . 1 . . . . 60 TYR HD1 . 11413 1 659 . 1 1 60 60 TYR HD2 H 1 6.950 0.030 . 1 . . . . 60 TYR HD2 . 11413 1 660 . 1 1 60 60 TYR HE1 H 1 6.640 0.030 . 1 . . . . 60 TYR HE1 . 11413 1 661 . 1 1 60 60 TYR HE2 H 1 6.640 0.030 . 1 . . . . 60 TYR HE2 . 11413 1 662 . 1 1 60 60 TYR CA C 13 56.603 0.300 . 1 . . . . 60 TYR CA . 11413 1 663 . 1 1 60 60 TYR CB C 13 39.055 0.300 . 1 . . . . 60 TYR CB . 11413 1 664 . 1 1 60 60 TYR CD1 C 13 133.076 0.300 . 1 . . . . 60 TYR CD1 . 11413 1 665 . 1 1 60 60 TYR CD2 C 13 133.076 0.300 . 1 . . . . 60 TYR CD2 . 11413 1 666 . 1 1 60 60 TYR CE1 C 13 118.685 0.300 . 1 . . . . 60 TYR CE1 . 11413 1 667 . 1 1 60 60 TYR CE2 C 13 118.685 0.300 . 1 . . . . 60 TYR CE2 . 11413 1 668 . 1 1 60 60 TYR N N 15 124.706 0.300 . 1 . . . . 60 TYR N . 11413 1 669 . 1 1 61 61 PHE H H 1 8.926 0.030 . 1 . . . . 61 PHE H . 11413 1 670 . 1 1 61 61 PHE HA H 1 4.614 0.030 . 1 . . . . 61 PHE HA . 11413 1 671 . 1 1 61 61 PHE HB2 H 1 3.813 0.030 . 2 . . . . 61 PHE HB2 . 11413 1 672 . 1 1 61 61 PHE HB3 H 1 2.872 0.030 . 2 . . . . 61 PHE HB3 . 11413 1 673 . 1 1 61 61 PHE HD1 H 1 7.337 0.030 . 1 . . . . 61 PHE HD1 . 11413 1 674 . 1 1 61 61 PHE HD2 H 1 7.337 0.030 . 1 . . . . 61 PHE HD2 . 11413 1 675 . 1 1 61 61 PHE HE1 H 1 7.133 0.030 . 1 . . . . 61 PHE HE1 . 11413 1 676 . 1 1 61 61 PHE HE2 H 1 7.133 0.030 . 1 . . . . 61 PHE HE2 . 11413 1 677 . 1 1 61 61 PHE HZ H 1 7.442 0.030 . 1 . . . . 61 PHE HZ . 11413 1 678 . 1 1 61 61 PHE CA C 13 59.103 0.300 . 1 . . . . 61 PHE CA . 11413 1 679 . 1 1 61 61 PHE CB C 13 40.568 0.300 . 1 . . . . 61 PHE CB . 11413 1 680 . 1 1 61 61 PHE CD1 C 13 131.431 0.300 . 1 . . . . 61 PHE CD1 . 11413 1 681 . 1 1 61 61 PHE CD2 C 13 131.431 0.300 . 1 . . . . 61 PHE CD2 . 11413 1 682 . 1 1 61 61 PHE CE1 C 13 131.398 0.300 . 1 . . . . 61 PHE CE1 . 11413 1 683 . 1 1 61 61 PHE CE2 C 13 131.398 0.300 . 1 . . . . 61 PHE CE2 . 11413 1 684 . 1 1 61 61 PHE CZ C 13 129.363 0.300 . 1 . . . . 61 PHE CZ . 11413 1 685 . 1 1 61 61 PHE N N 15 124.355 0.300 . 1 . . . . 61 PHE N . 11413 1 686 . 1 1 62 62 GLU H H 1 7.990 0.030 . 1 . . . . 62 GLU H . 11413 1 687 . 1 1 62 62 GLU HA H 1 4.271 0.030 . 1 . . . . 62 GLU HA . 11413 1 688 . 1 1 62 62 GLU HB2 H 1 2.148 0.030 . 2 . . . . 62 GLU HB2 . 11413 1 689 . 1 1 62 62 GLU HB3 H 1 1.983 0.030 . 2 . . . . 62 GLU HB3 . 11413 1 690 . 1 1 62 62 GLU HG2 H 1 2.168 0.030 . 2 . . . . 62 GLU HG2 . 11413 1 691 . 1 1 62 62 GLU HG3 H 1 2.141 0.030 . 2 . . . . 62 GLU HG3 . 11413 1 692 . 1 1 62 62 GLU CA C 13 59.205 0.300 . 1 . . . . 62 GLU CA . 11413 1 693 . 1 1 62 62 GLU CB C 13 30.491 0.300 . 1 . . . . 62 GLU CB . 11413 1 694 . 1 1 62 62 GLU CG C 13 36.706 0.300 . 1 . . . . 62 GLU CG . 11413 1 695 . 1 1 62 62 GLU N N 15 117.894 0.300 . 1 . . . . 62 GLU N . 11413 1 696 . 1 1 63 63 ASN H H 1 9.118 0.030 . 1 . . . . 63 ASN H . 11413 1 697 . 1 1 63 63 ASN HA H 1 5.169 0.030 . 1 . . . . 63 ASN HA . 11413 1 698 . 1 1 63 63 ASN HB2 H 1 2.992 0.030 . 2 . . . . 63 ASN HB2 . 11413 1 699 . 1 1 63 63 ASN HB3 H 1 2.796 0.030 . 2 . . . . 63 ASN HB3 . 11413 1 700 . 1 1 63 63 ASN HD21 H 1 7.658 0.030 . 2 . . . . 63 ASN HD21 . 11413 1 701 . 1 1 63 63 ASN HD22 H 1 7.284 0.030 . 2 . . . . 63 ASN HD22 . 11413 1 702 . 1 1 63 63 ASN CA C 13 51.995 0.300 . 1 . . . . 63 ASN CA . 11413 1 703 . 1 1 63 63 ASN CB C 13 41.107 0.300 . 1 . . . . 63 ASN CB . 11413 1 704 . 1 1 63 63 ASN N N 15 116.206 0.300 . 1 . . . . 63 ASN N . 11413 1 705 . 1 1 63 63 ASN ND2 N 15 114.825 0.300 . 1 . . . . 63 ASN ND2 . 11413 1 706 . 1 1 64 64 VAL H H 1 8.856 0.030 . 1 . . . . 64 VAL H . 11413 1 707 . 1 1 64 64 VAL HA H 1 3.800 0.030 . 1 . . . . 64 VAL HA . 11413 1 708 . 1 1 64 64 VAL HB H 1 2.067 0.030 . 1 . . . . 64 VAL HB . 11413 1 709 . 1 1 64 64 VAL HG11 H 1 0.967 0.030 . 1 . . . . 64 VAL HG1 . 11413 1 710 . 1 1 64 64 VAL HG12 H 1 0.967 0.030 . 1 . . . . 64 VAL HG1 . 11413 1 711 . 1 1 64 64 VAL HG13 H 1 0.967 0.030 . 1 . . . . 64 VAL HG1 . 11413 1 712 . 1 1 64 64 VAL HG21 H 1 0.935 0.030 . 1 . . . . 64 VAL HG2 . 11413 1 713 . 1 1 64 64 VAL HG22 H 1 0.935 0.030 . 1 . . . . 64 VAL HG2 . 11413 1 714 . 1 1 64 64 VAL HG23 H 1 0.935 0.030 . 1 . . . . 64 VAL HG2 . 11413 1 715 . 1 1 64 64 VAL CA C 13 65.534 0.300 . 1 . . . . 64 VAL CA . 11413 1 716 . 1 1 64 64 VAL CB C 13 31.955 0.300 . 1 . . . . 64 VAL CB . 11413 1 717 . 1 1 64 64 VAL CG1 C 13 22.422 0.300 . 2 . . . . 64 VAL CG1 . 11413 1 718 . 1 1 64 64 VAL CG2 C 13 20.409 0.300 . 2 . . . . 64 VAL CG2 . 11413 1 719 . 1 1 64 64 VAL N N 15 125.871 0.300 . 1 . . . . 64 VAL N . 11413 1 720 . 1 1 65 65 ASP H H 1 8.438 0.030 . 1 . . . . 65 ASP H . 11413 1 721 . 1 1 65 65 ASP HA H 1 4.403 0.030 . 1 . . . . 65 ASP HA . 11413 1 722 . 1 1 65 65 ASP HB2 H 1 2.708 0.030 . 2 . . . . 65 ASP HB2 . 11413 1 723 . 1 1 65 65 ASP HB3 H 1 2.620 0.030 . 2 . . . . 65 ASP HB3 . 11413 1 724 . 1 1 65 65 ASP CA C 13 57.603 0.300 . 1 . . . . 65 ASP CA . 11413 1 725 . 1 1 65 65 ASP CB C 13 39.949 0.300 . 1 . . . . 65 ASP CB . 11413 1 726 . 1 1 65 65 ASP N N 15 121.033 0.300 . 1 . . . . 65 ASP N . 11413 1 727 . 1 1 66 66 ASP H H 1 7.336 0.030 . 1 . . . . 66 ASP H . 11413 1 728 . 1 1 66 66 ASP HA H 1 4.390 0.030 . 1 . . . . 66 ASP HA . 11413 1 729 . 1 1 66 66 ASP HB2 H 1 2.981 0.030 . 2 . . . . 66 ASP HB2 . 11413 1 730 . 1 1 66 66 ASP HB3 H 1 2.615 0.030 . 2 . . . . 66 ASP HB3 . 11413 1 731 . 1 1 66 66 ASP CA C 13 56.620 0.300 . 1 . . . . 66 ASP CA . 11413 1 732 . 1 1 66 66 ASP CB C 13 40.141 0.300 . 1 . . . . 66 ASP CB . 11413 1 733 . 1 1 66 66 ASP N N 15 122.177 0.300 . 1 . . . . 66 ASP N . 11413 1 734 . 1 1 67 67 ALA H H 1 6.981 0.030 . 1 . . . . 67 ALA H . 11413 1 735 . 1 1 67 67 ALA HA H 1 2.888 0.030 . 1 . . . . 67 ALA HA . 11413 1 736 . 1 1 67 67 ALA HB1 H 1 1.426 0.030 . 1 . . . . 67 ALA HB . 11413 1 737 . 1 1 67 67 ALA HB2 H 1 1.426 0.030 . 1 . . . . 67 ALA HB . 11413 1 738 . 1 1 67 67 ALA HB3 H 1 1.426 0.030 . 1 . . . . 67 ALA HB . 11413 1 739 . 1 1 67 67 ALA CA C 13 54.501 0.300 . 1 . . . . 67 ALA CA . 11413 1 740 . 1 1 67 67 ALA CB C 13 18.307 0.300 . 1 . . . . 67 ALA CB . 11413 1 741 . 1 1 67 67 ALA N N 15 121.064 0.300 . 1 . . . . 67 ALA N . 11413 1 742 . 1 1 68 68 LYS H H 1 8.027 0.030 . 1 . . . . 68 LYS H . 11413 1 743 . 1 1 68 68 LYS HA H 1 4.000 0.030 . 1 . . . . 68 LYS HA . 11413 1 744 . 1 1 68 68 LYS HB2 H 1 2.029 0.030 . 1 . . . . 68 LYS HB2 . 11413 1 745 . 1 1 68 68 LYS HB3 H 1 2.029 0.030 . 1 . . . . 68 LYS HB3 . 11413 1 746 . 1 1 68 68 LYS HD2 H 1 1.752 0.030 . 1 . . . . 68 LYS HD2 . 11413 1 747 . 1 1 68 68 LYS HD3 H 1 1.752 0.030 . 1 . . . . 68 LYS HD3 . 11413 1 748 . 1 1 68 68 LYS HE2 H 1 2.947 0.030 . 1 . . . . 68 LYS HE2 . 11413 1 749 . 1 1 68 68 LYS HE3 H 1 2.947 0.030 . 1 . . . . 68 LYS HE3 . 11413 1 750 . 1 1 68 68 LYS HG2 H 1 1.764 0.030 . 2 . . . . 68 LYS HG2 . 11413 1 751 . 1 1 68 68 LYS HG3 H 1 1.521 0.030 . 2 . . . . 68 LYS HG3 . 11413 1 752 . 1 1 68 68 LYS CA C 13 60.314 0.300 . 1 . . . . 68 LYS CA . 11413 1 753 . 1 1 68 68 LYS CB C 13 32.596 0.300 . 1 . . . . 68 LYS CB . 11413 1 754 . 1 1 68 68 LYS CD C 13 29.844 0.300 . 1 . . . . 68 LYS CD . 11413 1 755 . 1 1 68 68 LYS CE C 13 42.057 0.300 . 1 . . . . 68 LYS CE . 11413 1 756 . 1 1 68 68 LYS CG C 13 25.661 0.300 . 1 . . . . 68 LYS CG . 11413 1 757 . 1 1 68 68 LYS N N 15 116.416 0.300 . 1 . . . . 68 LYS N . 11413 1 758 . 1 1 69 69 GLU H H 1 7.372 0.030 . 1 . . . . 69 GLU H . 11413 1 759 . 1 1 69 69 GLU HA H 1 4.067 0.030 . 1 . . . . 69 GLU HA . 11413 1 760 . 1 1 69 69 GLU HB2 H 1 2.186 0.030 . 2 . . . . 69 GLU HB2 . 11413 1 761 . 1 1 69 69 GLU HB3 H 1 2.099 0.030 . 2 . . . . 69 GLU HB3 . 11413 1 762 . 1 1 69 69 GLU HG2 H 1 2.532 0.030 . 2 . . . . 69 GLU HG2 . 11413 1 763 . 1 1 69 69 GLU HG3 H 1 2.287 0.030 . 2 . . . . 69 GLU HG3 . 11413 1 764 . 1 1 69 69 GLU CA C 13 58.857 0.300 . 1 . . . . 69 GLU CA . 11413 1 765 . 1 1 69 69 GLU CB C 13 29.363 0.300 . 1 . . . . 69 GLU CB . 11413 1 766 . 1 1 69 69 GLU CG C 13 35.386 0.300 . 1 . . . . 69 GLU CG . 11413 1 767 . 1 1 69 69 GLU N N 15 120.040 0.300 . 1 . . . . 69 GLU N . 11413 1 768 . 1 1 70 70 ALA H H 1 7.982 0.030 . 1 . . . . 70 ALA H . 11413 1 769 . 1 1 70 70 ALA HA H 1 2.416 0.030 . 1 . . . . 70 ALA HA . 11413 1 770 . 1 1 70 70 ALA HB1 H 1 1.084 0.030 . 1 . . . . 70 ALA HB . 11413 1 771 . 1 1 70 70 ALA HB2 H 1 1.084 0.030 . 1 . . . . 70 ALA HB . 11413 1 772 . 1 1 70 70 ALA HB3 H 1 1.084 0.030 . 1 . . . . 70 ALA HB . 11413 1 773 . 1 1 70 70 ALA CA C 13 54.467 0.300 . 1 . . . . 70 ALA CA . 11413 1 774 . 1 1 70 70 ALA CB C 13 20.642 0.300 . 1 . . . . 70 ALA CB . 11413 1 775 . 1 1 70 70 ALA N N 15 120.456 0.300 . 1 . . . . 70 ALA N . 11413 1 776 . 1 1 71 71 LYS H H 1 8.076 0.030 . 1 . . . . 71 LYS H . 11413 1 777 . 1 1 71 71 LYS HA H 1 3.485 0.030 . 1 . . . . 71 LYS HA . 11413 1 778 . 1 1 71 71 LYS HB2 H 1 1.659 0.030 . 2 . . . . 71 LYS HB2 . 11413 1 779 . 1 1 71 71 LYS HB3 H 1 1.558 0.030 . 2 . . . . 71 LYS HB3 . 11413 1 780 . 1 1 71 71 LYS HD2 H 1 1.393 0.030 . 2 . . . . 71 LYS HD2 . 11413 1 781 . 1 1 71 71 LYS HD3 H 1 1.297 0.030 . 2 . . . . 71 LYS HD3 . 11413 1 782 . 1 1 71 71 LYS HE2 H 1 2.975 0.030 . 1 . . . . 71 LYS HE2 . 11413 1 783 . 1 1 71 71 LYS HE3 H 1 2.975 0.030 . 1 . . . . 71 LYS HE3 . 11413 1 784 . 1 1 71 71 LYS HG2 H 1 1.019 0.030 . 2 . . . . 71 LYS HG2 . 11413 1 785 . 1 1 71 71 LYS HG3 H 1 0.725 0.030 . 2 . . . . 71 LYS HG3 . 11413 1 786 . 1 1 71 71 LYS CA C 13 60.241 0.300 . 1 . . . . 71 LYS CA . 11413 1 787 . 1 1 71 71 LYS CB C 13 31.630 0.300 . 1 . . . . 71 LYS CB . 11413 1 788 . 1 1 71 71 LYS CD C 13 29.853 0.300 . 1 . . . . 71 LYS CD . 11413 1 789 . 1 1 71 71 LYS CE C 13 42.603 0.300 . 1 . . . . 71 LYS CE . 11413 1 790 . 1 1 71 71 LYS CG C 13 24.363 0.300 . 1 . . . . 71 LYS CG . 11413 1 791 . 1 1 71 71 LYS N N 15 117.382 0.300 . 1 . . . . 71 LYS N . 11413 1 792 . 1 1 72 72 GLU H H 1 7.442 0.030 . 1 . . . . 72 GLU H . 11413 1 793 . 1 1 72 72 GLU HA H 1 4.017 0.030 . 1 . . . . 72 GLU HA . 11413 1 794 . 1 1 72 72 GLU HB2 H 1 2.074 0.030 . 1 . . . . 72 GLU HB2 . 11413 1 795 . 1 1 72 72 GLU HB3 H 1 2.074 0.030 . 1 . . . . 72 GLU HB3 . 11413 1 796 . 1 1 72 72 GLU HG2 H 1 2.406 0.030 . 2 . . . . 72 GLU HG2 . 11413 1 797 . 1 1 72 72 GLU HG3 H 1 2.369 0.030 . 2 . . . . 72 GLU HG3 . 11413 1 798 . 1 1 72 72 GLU CA C 13 58.477 0.300 . 1 . . . . 72 GLU CA . 11413 1 799 . 1 1 72 72 GLU CB C 13 29.807 0.300 . 1 . . . . 72 GLU CB . 11413 1 800 . 1 1 72 72 GLU CG C 13 35.978 0.300 . 1 . . . . 72 GLU CG . 11413 1 801 . 1 1 72 72 GLU N N 15 115.291 0.300 . 1 . . . . 72 GLU N . 11413 1 802 . 1 1 73 73 ARG H H 1 8.185 0.030 . 1 . . . . 73 ARG H . 11413 1 803 . 1 1 73 73 ARG HA H 1 4.268 0.030 . 1 . . . . 73 ARG HA . 11413 1 804 . 1 1 73 73 ARG HB2 H 1 1.969 0.030 . 2 . . . . 73 ARG HB2 . 11413 1 805 . 1 1 73 73 ARG HB3 H 1 1.643 0.030 . 2 . . . . 73 ARG HB3 . 11413 1 806 . 1 1 73 73 ARG HD2 H 1 3.231 0.030 . 1 . . . . 73 ARG HD2 . 11413 1 807 . 1 1 73 73 ARG HD3 H 1 3.231 0.030 . 1 . . . . 73 ARG HD3 . 11413 1 808 . 1 1 73 73 ARG HG2 H 1 1.812 0.030 . 1 . . . . 73 ARG HG2 . 11413 1 809 . 1 1 73 73 ARG HG3 H 1 1.812 0.030 . 1 . . . . 73 ARG HG3 . 11413 1 810 . 1 1 73 73 ARG CA C 13 57.239 0.300 . 1 . . . . 73 ARG CA . 11413 1 811 . 1 1 73 73 ARG CB C 13 31.296 0.300 . 1 . . . . 73 ARG CB . 11413 1 812 . 1 1 73 73 ARG CD C 13 43.296 0.300 . 1 . . . . 73 ARG CD . 11413 1 813 . 1 1 73 73 ARG CG C 13 27.161 0.300 . 1 . . . . 73 ARG CG . 11413 1 814 . 1 1 73 73 ARG N N 15 115.439 0.300 . 1 . . . . 73 ARG N . 11413 1 815 . 1 1 74 74 ALA H H 1 8.772 0.030 . 1 . . . . 74 ALA H . 11413 1 816 . 1 1 74 74 ALA HA H 1 4.381 0.030 . 1 . . . . 74 ALA HA . 11413 1 817 . 1 1 74 74 ALA HB1 H 1 1.296 0.030 . 1 . . . . 74 ALA HB . 11413 1 818 . 1 1 74 74 ALA HB2 H 1 1.296 0.030 . 1 . . . . 74 ALA HB . 11413 1 819 . 1 1 74 74 ALA HB3 H 1 1.296 0.030 . 1 . . . . 74 ALA HB . 11413 1 820 . 1 1 74 74 ALA CA C 13 52.682 0.300 . 1 . . . . 74 ALA CA . 11413 1 821 . 1 1 74 74 ALA CB C 13 20.239 0.300 . 1 . . . . 74 ALA CB . 11413 1 822 . 1 1 74 74 ALA N N 15 119.473 0.300 . 1 . . . . 74 ALA N . 11413 1 823 . 1 1 75 75 ASN H H 1 6.881 0.030 . 1 . . . . 75 ASN H . 11413 1 824 . 1 1 75 75 ASN HA H 1 4.294 0.030 . 1 . . . . 75 ASN HA . 11413 1 825 . 1 1 75 75 ASN HB2 H 1 3.258 0.030 . 2 . . . . 75 ASN HB2 . 11413 1 826 . 1 1 75 75 ASN HB3 H 1 2.864 0.030 . 2 . . . . 75 ASN HB3 . 11413 1 827 . 1 1 75 75 ASN HD21 H 1 7.766 0.030 . 2 . . . . 75 ASN HD21 . 11413 1 828 . 1 1 75 75 ASN HD22 H 1 7.035 0.030 . 2 . . . . 75 ASN HD22 . 11413 1 829 . 1 1 75 75 ASN CA C 13 56.318 0.300 . 1 . . . . 75 ASN CA . 11413 1 830 . 1 1 75 75 ASN CB C 13 38.727 0.300 . 1 . . . . 75 ASN CB . 11413 1 831 . 1 1 75 75 ASN N N 15 113.643 0.300 . 1 . . . . 75 ASN N . 11413 1 832 . 1 1 75 75 ASN ND2 N 15 114.461 0.300 . 1 . . . . 75 ASN ND2 . 11413 1 833 . 1 1 76 76 GLY H H 1 8.619 0.030 . 1 . . . . 76 GLY H . 11413 1 834 . 1 1 76 76 GLY HA2 H 1 4.247 0.030 . 2 . . . . 76 GLY HA2 . 11413 1 835 . 1 1 76 76 GLY HA3 H 1 3.702 0.030 . 2 . . . . 76 GLY HA3 . 11413 1 836 . 1 1 76 76 GLY CA C 13 45.727 0.300 . 1 . . . . 76 GLY CA . 11413 1 837 . 1 1 76 76 GLY N N 15 116.807 0.300 . 1 . . . . 76 GLY N . 11413 1 838 . 1 1 77 77 MET H H 1 7.885 0.030 . 1 . . . . 77 MET H . 11413 1 839 . 1 1 77 77 MET HA H 1 4.277 0.030 . 1 . . . . 77 MET HA . 11413 1 840 . 1 1 77 77 MET HB2 H 1 2.257 0.030 . 2 . . . . 77 MET HB2 . 11413 1 841 . 1 1 77 77 MET HB3 H 1 1.956 0.030 . 2 . . . . 77 MET HB3 . 11413 1 842 . 1 1 77 77 MET HE1 H 1 1.994 0.030 . 1 . . . . 77 MET HE . 11413 1 843 . 1 1 77 77 MET HE2 H 1 1.994 0.030 . 1 . . . . 77 MET HE . 11413 1 844 . 1 1 77 77 MET HE3 H 1 1.994 0.030 . 1 . . . . 77 MET HE . 11413 1 845 . 1 1 77 77 MET HG2 H 1 2.784 0.030 . 2 . . . . 77 MET HG2 . 11413 1 846 . 1 1 77 77 MET HG3 H 1 2.194 0.030 . 2 . . . . 77 MET HG3 . 11413 1 847 . 1 1 77 77 MET CA C 13 56.204 0.300 . 1 . . . . 77 MET CA . 11413 1 848 . 1 1 77 77 MET CB C 13 33.275 0.300 . 1 . . . . 77 MET CB . 11413 1 849 . 1 1 77 77 MET CE C 13 16.882 0.300 . 1 . . . . 77 MET CE . 11413 1 850 . 1 1 77 77 MET CG C 13 31.447 0.300 . 1 . . . . 77 MET CG . 11413 1 851 . 1 1 77 77 MET N N 15 120.200 0.300 . 1 . . . . 77 MET N . 11413 1 852 . 1 1 78 78 GLU H H 1 8.385 0.030 . 1 . . . . 78 GLU H . 11413 1 853 . 1 1 78 78 GLU HA H 1 4.881 0.030 . 1 . . . . 78 GLU HA . 11413 1 854 . 1 1 78 78 GLU HB2 H 1 1.881 0.030 . 2 . . . . 78 GLU HB2 . 11413 1 855 . 1 1 78 78 GLU HB3 H 1 1.750 0.030 . 2 . . . . 78 GLU HB3 . 11413 1 856 . 1 1 78 78 GLU HG2 H 1 1.990 0.030 . 2 . . . . 78 GLU HG2 . 11413 1 857 . 1 1 78 78 GLU HG3 H 1 1.881 0.030 . 2 . . . . 78 GLU HG3 . 11413 1 858 . 1 1 78 78 GLU CA C 13 55.238 0.300 . 1 . . . . 78 GLU CA . 11413 1 859 . 1 1 78 78 GLU CB C 13 30.852 0.300 . 1 . . . . 78 GLU CB . 11413 1 860 . 1 1 78 78 GLU CG C 13 37.092 0.300 . 1 . . . . 78 GLU CG . 11413 1 861 . 1 1 78 78 GLU N N 15 121.581 0.300 . 1 . . . . 78 GLU N . 11413 1 862 . 1 1 79 79 LEU H H 1 9.175 0.030 . 1 . . . . 79 LEU H . 11413 1 863 . 1 1 79 79 LEU HA H 1 4.580 0.030 . 1 . . . . 79 LEU HA . 11413 1 864 . 1 1 79 79 LEU HB2 H 1 1.777 0.030 . 2 . . . . 79 LEU HB2 . 11413 1 865 . 1 1 79 79 LEU HB3 H 1 1.210 0.030 . 2 . . . . 79 LEU HB3 . 11413 1 866 . 1 1 79 79 LEU HD11 H 1 0.816 0.030 . 1 . . . . 79 LEU HD1 . 11413 1 867 . 1 1 79 79 LEU HD12 H 1 0.816 0.030 . 1 . . . . 79 LEU HD1 . 11413 1 868 . 1 1 79 79 LEU HD13 H 1 0.816 0.030 . 1 . . . . 79 LEU HD1 . 11413 1 869 . 1 1 79 79 LEU HD21 H 1 0.895 0.030 . 1 . . . . 79 LEU HD2 . 11413 1 870 . 1 1 79 79 LEU HD22 H 1 0.895 0.030 . 1 . . . . 79 LEU HD2 . 11413 1 871 . 1 1 79 79 LEU HD23 H 1 0.895 0.030 . 1 . . . . 79 LEU HD2 . 11413 1 872 . 1 1 79 79 LEU HG H 1 1.459 0.030 . 1 . . . . 79 LEU HG . 11413 1 873 . 1 1 79 79 LEU CA C 13 54.545 0.300 . 1 . . . . 79 LEU CA . 11413 1 874 . 1 1 79 79 LEU CB C 13 44.935 0.300 . 1 . . . . 79 LEU CB . 11413 1 875 . 1 1 79 79 LEU CD1 C 13 26.060 0.300 . 2 . . . . 79 LEU CD1 . 11413 1 876 . 1 1 79 79 LEU CD2 C 13 24.420 0.300 . 2 . . . . 79 LEU CD2 . 11413 1 877 . 1 1 79 79 LEU CG C 13 27.711 0.300 . 1 . . . . 79 LEU CG . 11413 1 878 . 1 1 79 79 LEU N N 15 128.033 0.300 . 1 . . . . 79 LEU N . 11413 1 879 . 1 1 80 80 ASP H H 1 9.650 0.030 . 1 . . . . 80 ASP H . 11413 1 880 . 1 1 80 80 ASP HA H 1 4.301 0.030 . 1 . . . . 80 ASP HA . 11413 1 881 . 1 1 80 80 ASP HB2 H 1 3.012 0.030 . 2 . . . . 80 ASP HB2 . 11413 1 882 . 1 1 80 80 ASP HB3 H 1 2.394 0.030 . 2 . . . . 80 ASP HB3 . 11413 1 883 . 1 1 80 80 ASP CA C 13 55.596 0.300 . 1 . . . . 80 ASP CA . 11413 1 884 . 1 1 80 80 ASP CB C 13 40.103 0.300 . 1 . . . . 80 ASP CB . 11413 1 885 . 1 1 80 80 ASP N N 15 129.908 0.300 . 1 . . . . 80 ASP N . 11413 1 886 . 1 1 81 81 GLY H H 1 8.671 0.030 . 1 . . . . 81 GLY H . 11413 1 887 . 1 1 81 81 GLY HA2 H 1 4.102 0.030 . 2 . . . . 81 GLY HA2 . 11413 1 888 . 1 1 81 81 GLY HA3 H 1 3.667 0.030 . 2 . . . . 81 GLY HA3 . 11413 1 889 . 1 1 81 81 GLY CA C 13 45.626 0.300 . 1 . . . . 81 GLY CA . 11413 1 890 . 1 1 81 81 GLY N N 15 102.137 0.300 . 1 . . . . 81 GLY N . 11413 1 891 . 1 1 82 82 ARG H H 1 7.563 0.030 . 1 . . . . 82 ARG H . 11413 1 892 . 1 1 82 82 ARG HA H 1 4.677 0.030 . 1 . . . . 82 ARG HA . 11413 1 893 . 1 1 82 82 ARG HB2 H 1 2.020 0.030 . 2 . . . . 82 ARG HB2 . 11413 1 894 . 1 1 82 82 ARG HB3 H 1 1.798 0.030 . 2 . . . . 82 ARG HB3 . 11413 1 895 . 1 1 82 82 ARG HD2 H 1 3.216 0.030 . 1 . . . . 82 ARG HD2 . 11413 1 896 . 1 1 82 82 ARG HD3 H 1 3.216 0.030 . 1 . . . . 82 ARG HD3 . 11413 1 897 . 1 1 82 82 ARG HG2 H 1 1.701 0.030 . 2 . . . . 82 ARG HG2 . 11413 1 898 . 1 1 82 82 ARG HG3 H 1 1.581 0.030 . 2 . . . . 82 ARG HG3 . 11413 1 899 . 1 1 82 82 ARG CA C 13 53.057 0.300 . 1 . . . . 82 ARG CA . 11413 1 900 . 1 1 82 82 ARG CB C 13 32.394 0.300 . 1 . . . . 82 ARG CB . 11413 1 901 . 1 1 82 82 ARG CD C 13 42.620 0.300 . 1 . . . . 82 ARG CD . 11413 1 902 . 1 1 82 82 ARG CG C 13 26.366 0.300 . 1 . . . . 82 ARG CG . 11413 1 903 . 1 1 82 82 ARG N N 15 119.557 0.300 . 1 . . . . 82 ARG N . 11413 1 904 . 1 1 83 83 ARG H H 1 8.512 0.030 . 1 . . . . 83 ARG H . 11413 1 905 . 1 1 83 83 ARG HA H 1 4.743 0.030 . 1 . . . . 83 ARG HA . 11413 1 906 . 1 1 83 83 ARG HB2 H 1 1.768 0.030 . 2 . . . . 83 ARG HB2 . 11413 1 907 . 1 1 83 83 ARG HB3 H 1 1.545 0.030 . 2 . . . . 83 ARG HB3 . 11413 1 908 . 1 1 83 83 ARG HD2 H 1 3.129 0.030 . 1 . . . . 83 ARG HD2 . 11413 1 909 . 1 1 83 83 ARG HD3 H 1 3.129 0.030 . 1 . . . . 83 ARG HD3 . 11413 1 910 . 1 1 83 83 ARG HG2 H 1 1.660 0.030 . 2 . . . . 83 ARG HG2 . 11413 1 911 . 1 1 83 83 ARG HG3 H 1 1.449 0.030 . 2 . . . . 83 ARG HG3 . 11413 1 912 . 1 1 83 83 ARG CA C 13 54.922 0.300 . 1 . . . . 83 ARG CA . 11413 1 913 . 1 1 83 83 ARG CB C 13 29.557 0.300 . 1 . . . . 83 ARG CB . 11413 1 914 . 1 1 83 83 ARG CD C 13 43.197 0.300 . 1 . . . . 83 ARG CD . 11413 1 915 . 1 1 83 83 ARG CG C 13 27.359 0.300 . 1 . . . . 83 ARG CG . 11413 1 916 . 1 1 83 83 ARG N N 15 121.314 0.300 . 1 . . . . 83 ARG N . 11413 1 917 . 1 1 84 84 ILE H H 1 8.464 0.030 . 1 . . . . 84 ILE H . 11413 1 918 . 1 1 84 84 ILE HA H 1 4.676 0.030 . 1 . . . . 84 ILE HA . 11413 1 919 . 1 1 84 84 ILE HB H 1 1.923 0.030 . 1 . . . . 84 ILE HB . 11413 1 920 . 1 1 84 84 ILE HD11 H 1 0.757 0.030 . 1 . . . . 84 ILE HD1 . 11413 1 921 . 1 1 84 84 ILE HD12 H 1 0.757 0.030 . 1 . . . . 84 ILE HD1 . 11413 1 922 . 1 1 84 84 ILE HD13 H 1 0.757 0.030 . 1 . . . . 84 ILE HD1 . 11413 1 923 . 1 1 84 84 ILE HG12 H 1 1.517 0.030 . 2 . . . . 84 ILE HG12 . 11413 1 924 . 1 1 84 84 ILE HG13 H 1 1.405 0.030 . 2 . . . . 84 ILE HG13 . 11413 1 925 . 1 1 84 84 ILE HG21 H 1 0.862 0.030 . 1 . . . . 84 ILE HG2 . 11413 1 926 . 1 1 84 84 ILE HG22 H 1 0.862 0.030 . 1 . . . . 84 ILE HG2 . 11413 1 927 . 1 1 84 84 ILE HG23 H 1 0.862 0.030 . 1 . . . . 84 ILE HG2 . 11413 1 928 . 1 1 84 84 ILE CA C 13 60.887 0.300 . 1 . . . . 84 ILE CA . 11413 1 929 . 1 1 84 84 ILE CB C 13 39.596 0.300 . 1 . . . . 84 ILE CB . 11413 1 930 . 1 1 84 84 ILE CD1 C 13 13.557 0.300 . 1 . . . . 84 ILE CD1 . 11413 1 931 . 1 1 84 84 ILE CG1 C 13 25.370 0.300 . 1 . . . . 84 ILE CG1 . 11413 1 932 . 1 1 84 84 ILE CG2 C 13 18.715 0.300 . 1 . . . . 84 ILE CG2 . 11413 1 933 . 1 1 84 84 ILE N N 15 121.836 0.300 . 1 . . . . 84 ILE N . 11413 1 934 . 1 1 85 85 ARG H H 1 8.604 0.030 . 1 . . . . 85 ARG H . 11413 1 935 . 1 1 85 85 ARG HA H 1 5.105 0.030 . 1 . . . . 85 ARG HA . 11413 1 936 . 1 1 85 85 ARG HB2 H 1 1.862 0.030 . 2 . . . . 85 ARG HB2 . 11413 1 937 . 1 1 85 85 ARG HB3 H 1 1.730 0.030 . 2 . . . . 85 ARG HB3 . 11413 1 938 . 1 1 85 85 ARG HD2 H 1 3.274 0.030 . 2 . . . . 85 ARG HD2 . 11413 1 939 . 1 1 85 85 ARG HD3 H 1 3.121 0.030 . 2 . . . . 85 ARG HD3 . 11413 1 940 . 1 1 85 85 ARG HG2 H 1 1.460 0.030 . 2 . . . . 85 ARG HG2 . 11413 1 941 . 1 1 85 85 ARG HG3 H 1 1.720 0.030 . 2 . . . . 85 ARG HG3 . 11413 1 942 . 1 1 85 85 ARG CA C 13 54.187 0.300 . 1 . . . . 85 ARG CA . 11413 1 943 . 1 1 85 85 ARG CB C 13 33.057 0.300 . 1 . . . . 85 ARG CB . 11413 1 944 . 1 1 85 85 ARG CD C 13 43.262 0.300 . 1 . . . . 85 ARG CD . 11413 1 945 . 1 1 85 85 ARG CG C 13 27.806 0.300 . 1 . . . . 85 ARG CG . 11413 1 946 . 1 1 85 85 ARG N N 15 123.825 0.300 . 1 . . . . 85 ARG N . 11413 1 947 . 1 1 86 86 VAL H H 1 8.641 0.030 . 1 . . . . 86 VAL H . 11413 1 948 . 1 1 86 86 VAL HA H 1 5.312 0.030 . 1 . . . . 86 VAL HA . 11413 1 949 . 1 1 86 86 VAL HB H 1 1.849 0.030 . 1 . . . . 86 VAL HB . 11413 1 950 . 1 1 86 86 VAL HG11 H 1 0.897 0.030 . 1 . . . . 86 VAL HG1 . 11413 1 951 . 1 1 86 86 VAL HG12 H 1 0.897 0.030 . 1 . . . . 86 VAL HG1 . 11413 1 952 . 1 1 86 86 VAL HG13 H 1 0.897 0.030 . 1 . . . . 86 VAL HG1 . 11413 1 953 . 1 1 86 86 VAL HG21 H 1 1.028 0.030 . 1 . . . . 86 VAL HG2 . 11413 1 954 . 1 1 86 86 VAL HG22 H 1 1.028 0.030 . 1 . . . . 86 VAL HG2 . 11413 1 955 . 1 1 86 86 VAL HG23 H 1 1.028 0.030 . 1 . . . . 86 VAL HG2 . 11413 1 956 . 1 1 86 86 VAL CA C 13 60.220 0.300 . 1 . . . . 86 VAL CA . 11413 1 957 . 1 1 86 86 VAL CB C 13 34.739 0.300 . 1 . . . . 86 VAL CB . 11413 1 958 . 1 1 86 86 VAL CG1 C 13 24.375 0.300 . 2 . . . . 86 VAL CG1 . 11413 1 959 . 1 1 86 86 VAL CG2 C 13 22.113 0.300 . 2 . . . . 86 VAL CG2 . 11413 1 960 . 1 1 86 86 VAL N N 15 124.292 0.300 . 1 . . . . 86 VAL N . 11413 1 961 . 1 1 87 87 ASP H H 1 9.005 0.030 . 1 . . . . 87 ASP H . 11413 1 962 . 1 1 87 87 ASP HA H 1 4.703 0.030 . 1 . . . . 87 ASP HA . 11413 1 963 . 1 1 87 87 ASP HB2 H 1 2.765 0.030 . 2 . . . . 87 ASP HB2 . 11413 1 964 . 1 1 87 87 ASP HB3 H 1 2.502 0.030 . 2 . . . . 87 ASP HB3 . 11413 1 965 . 1 1 87 87 ASP CA C 13 52.272 0.300 . 1 . . . . 87 ASP CA . 11413 1 966 . 1 1 87 87 ASP CB C 13 44.977 0.300 . 1 . . . . 87 ASP CB . 11413 1 967 . 1 1 87 87 ASP N N 15 124.682 0.300 . 1 . . . . 87 ASP N . 11413 1 968 . 1 1 88 88 PHE H H 1 9.040 0.030 . 1 . . . . 88 PHE H . 11413 1 969 . 1 1 88 88 PHE HA H 1 4.786 0.030 . 1 . . . . 88 PHE HA . 11413 1 970 . 1 1 88 88 PHE HB2 H 1 3.369 0.030 . 2 . . . . 88 PHE HB2 . 11413 1 971 . 1 1 88 88 PHE HB3 H 1 2.790 0.030 . 2 . . . . 88 PHE HB3 . 11413 1 972 . 1 1 88 88 PHE HD1 H 1 7.362 0.030 . 1 . . . . 88 PHE HD1 . 11413 1 973 . 1 1 88 88 PHE HD2 H 1 7.362 0.030 . 1 . . . . 88 PHE HD2 . 11413 1 974 . 1 1 88 88 PHE HE1 H 1 7.305 0.030 . 1 . . . . 88 PHE HE1 . 11413 1 975 . 1 1 88 88 PHE HE2 H 1 7.305 0.030 . 1 . . . . 88 PHE HE2 . 11413 1 976 . 1 1 88 88 PHE HZ H 1 7.176 0.030 . 1 . . . . 88 PHE HZ . 11413 1 977 . 1 1 88 88 PHE CA C 13 59.598 0.300 . 1 . . . . 88 PHE CA . 11413 1 978 . 1 1 88 88 PHE CB C 13 39.614 0.300 . 1 . . . . 88 PHE CB . 11413 1 979 . 1 1 88 88 PHE CD1 C 13 132.108 0.300 . 1 . . . . 88 PHE CD1 . 11413 1 980 . 1 1 88 88 PHE CD2 C 13 132.108 0.300 . 1 . . . . 88 PHE CD2 . 11413 1 981 . 1 1 88 88 PHE CE1 C 13 131.409 0.300 . 1 . . . . 88 PHE CE1 . 11413 1 982 . 1 1 88 88 PHE CE2 C 13 131.409 0.300 . 1 . . . . 88 PHE CE2 . 11413 1 983 . 1 1 88 88 PHE CZ C 13 129.370 0.300 . 1 . . . . 88 PHE CZ . 11413 1 984 . 1 1 88 88 PHE N N 15 120.956 0.300 . 1 . . . . 88 PHE N . 11413 1 985 . 1 1 89 89 SER H H 1 8.653 0.030 . 1 . . . . 89 SER H . 11413 1 986 . 1 1 89 89 SER HA H 1 4.620 0.030 . 1 . . . . 89 SER HA . 11413 1 987 . 1 1 89 89 SER HB2 H 1 3.914 0.030 . 2 . . . . 89 SER HB2 . 11413 1 988 . 1 1 89 89 SER HB3 H 1 3.824 0.030 . 2 . . . . 89 SER HB3 . 11413 1 989 . 1 1 89 89 SER CA C 13 58.614 0.300 . 1 . . . . 89 SER CA . 11413 1 990 . 1 1 89 89 SER CB C 13 64.329 0.300 . 1 . . . . 89 SER CB . 11413 1 991 . 1 1 89 89 SER N N 15 117.837 0.300 . 1 . . . . 89 SER N . 11413 1 992 . 1 1 90 90 ILE H H 1 8.338 0.030 . 1 . . . . 90 ILE H . 11413 1 993 . 1 1 90 90 ILE HA H 1 4.369 0.030 . 1 . . . . 90 ILE HA . 11413 1 994 . 1 1 90 90 ILE HB H 1 1.933 0.030 . 1 . . . . 90 ILE HB . 11413 1 995 . 1 1 90 90 ILE HD11 H 1 0.845 0.030 . 1 . . . . 90 ILE HD1 . 11413 1 996 . 1 1 90 90 ILE HD12 H 1 0.845 0.030 . 1 . . . . 90 ILE HD1 . 11413 1 997 . 1 1 90 90 ILE HD13 H 1 0.845 0.030 . 1 . . . . 90 ILE HD1 . 11413 1 998 . 1 1 90 90 ILE HG12 H 1 1.453 0.030 . 2 . . . . 90 ILE HG12 . 11413 1 999 . 1 1 90 90 ILE HG13 H 1 1.205 0.030 . 2 . . . . 90 ILE HG13 . 11413 1 1000 . 1 1 90 90 ILE HG21 H 1 0.905 0.030 . 1 . . . . 90 ILE HG2 . 11413 1 1001 . 1 1 90 90 ILE HG22 H 1 0.905 0.030 . 1 . . . . 90 ILE HG2 . 11413 1 1002 . 1 1 90 90 ILE HG23 H 1 0.905 0.030 . 1 . . . . 90 ILE HG2 . 11413 1 1003 . 1 1 90 90 ILE CA C 13 61.113 0.300 . 1 . . . . 90 ILE CA . 11413 1 1004 . 1 1 90 90 ILE CB C 13 38.750 0.300 . 1 . . . . 90 ILE CB . 11413 1 1005 . 1 1 90 90 ILE CD1 C 13 13.307 0.300 . 1 . . . . 90 ILE CD1 . 11413 1 1006 . 1 1 90 90 ILE CG1 C 13 27.227 0.300 . 1 . . . . 90 ILE CG1 . 11413 1 1007 . 1 1 90 90 ILE CG2 C 13 17.795 0.300 . 1 . . . . 90 ILE CG2 . 11413 1 1008 . 1 1 90 90 ILE N N 15 122.019 0.300 . 1 . . . . 90 ILE N . 11413 1 1009 . 1 1 91 91 THR H H 1 8.047 0.030 . 1 . . . . 91 THR H . 11413 1 1010 . 1 1 91 91 THR HA H 1 4.272 0.030 . 1 . . . . 91 THR HA . 11413 1 1011 . 1 1 91 91 THR HB H 1 4.061 0.030 . 1 . . . . 91 THR HB . 11413 1 1012 . 1 1 91 91 THR HG21 H 1 1.084 0.030 . 1 . . . . 91 THR HG2 . 11413 1 1013 . 1 1 91 91 THR HG22 H 1 1.084 0.030 . 1 . . . . 91 THR HG2 . 11413 1 1014 . 1 1 91 91 THR HG23 H 1 1.084 0.030 . 1 . . . . 91 THR HG2 . 11413 1 1015 . 1 1 91 91 THR CA C 13 61.885 0.300 . 1 . . . . 91 THR CA . 11413 1 1016 . 1 1 91 91 THR CB C 13 69.966 0.300 . 1 . . . . 91 THR CB . 11413 1 1017 . 1 1 91 91 THR CG2 C 13 21.557 0.300 . 1 . . . . 91 THR CG2 . 11413 1 1018 . 1 1 91 91 THR N N 15 118.212 0.300 . 1 . . . . 91 THR N . 11413 1 1019 . 1 1 92 92 LYS H H 1 8.284 0.030 . 1 . . . . 92 LYS H . 11413 1 1020 . 1 1 92 92 LYS HA H 1 4.278 0.030 . 1 . . . . 92 LYS HA . 11413 1 1021 . 1 1 92 92 LYS HB2 H 1 1.776 0.030 . 2 . . . . 92 LYS HB2 . 11413 1 1022 . 1 1 92 92 LYS HB3 H 1 1.692 0.030 . 2 . . . . 92 LYS HB3 . 11413 1 1023 . 1 1 92 92 LYS HD2 H 1 1.617 0.030 . 1 . . . . 92 LYS HD2 . 11413 1 1024 . 1 1 92 92 LYS HD3 H 1 1.617 0.030 . 1 . . . . 92 LYS HD3 . 11413 1 1025 . 1 1 92 92 LYS HE2 H 1 2.910 0.030 . 1 . . . . 92 LYS HE2 . 11413 1 1026 . 1 1 92 92 LYS HE3 H 1 2.910 0.030 . 1 . . . . 92 LYS HE3 . 11413 1 1027 . 1 1 92 92 LYS HG2 H 1 1.382 0.030 . 2 . . . . 92 LYS HG2 . 11413 1 1028 . 1 1 92 92 LYS HG3 H 1 1.327 0.030 . 2 . . . . 92 LYS HG3 . 11413 1 1029 . 1 1 92 92 LYS CA C 13 55.929 0.300 . 1 . . . . 92 LYS CA . 11413 1 1030 . 1 1 92 92 LYS CB C 13 32.932 0.300 . 1 . . . . 92 LYS CB . 11413 1 1031 . 1 1 92 92 LYS CD C 13 29.077 0.300 . 1 . . . . 92 LYS CD . 11413 1 1032 . 1 1 92 92 LYS CE C 13 42.096 0.300 . 1 . . . . 92 LYS CE . 11413 1 1033 . 1 1 92 92 LYS CG C 13 24.725 0.300 . 1 . . . . 92 LYS CG . 11413 1 1034 . 1 1 92 92 LYS N N 15 124.441 0.300 . 1 . . . . 92 LYS N . 11413 1 1035 . 1 1 93 93 ARG H H 1 8.305 0.030 . 1 . . . . 93 ARG H . 11413 1 1036 . 1 1 93 93 ARG HA H 1 4.506 0.030 . 1 . . . . 93 ARG HA . 11413 1 1037 . 1 1 93 93 ARG HB2 H 1 1.753 0.030 . 2 . . . . 93 ARG HB2 . 11413 1 1038 . 1 1 93 93 ARG HB3 H 1 1.617 0.030 . 2 . . . . 93 ARG HB3 . 11413 1 1039 . 1 1 93 93 ARG HD2 H 1 3.083 0.030 . 1 . . . . 93 ARG HD2 . 11413 1 1040 . 1 1 93 93 ARG HD3 H 1 3.083 0.030 . 1 . . . . 93 ARG HD3 . 11413 1 1041 . 1 1 93 93 ARG HG2 H 1 1.569 0.030 . 1 . . . . 93 ARG HG2 . 11413 1 1042 . 1 1 93 93 ARG HG3 H 1 1.569 0.030 . 1 . . . . 93 ARG HG3 . 11413 1 1043 . 1 1 93 93 ARG CA C 13 53.965 0.300 . 1 . . . . 93 ARG CA . 11413 1 1044 . 1 1 93 93 ARG CB C 13 30.204 0.300 . 1 . . . . 93 ARG CB . 11413 1 1045 . 1 1 93 93 ARG CD C 13 43.325 0.300 . 1 . . . . 93 ARG CD . 11413 1 1046 . 1 1 93 93 ARG CG C 13 26.822 0.300 . 1 . . . . 93 ARG CG . 11413 1 1047 . 1 1 93 93 ARG N N 15 123.973 0.300 . 1 . . . . 93 ARG N . 11413 1 1048 . 1 1 94 94 PRO HA H 1 4.345 0.030 . 1 . . . . 94 PRO HA . 11413 1 1049 . 1 1 94 94 PRO HB2 H 1 2.180 0.030 . 2 . . . . 94 PRO HB2 . 11413 1 1050 . 1 1 94 94 PRO HB3 H 1 1.799 0.030 . 2 . . . . 94 PRO HB3 . 11413 1 1051 . 1 1 94 94 PRO HD2 H 1 3.732 0.030 . 2 . . . . 94 PRO HD2 . 11413 1 1052 . 1 1 94 94 PRO HD3 H 1 3.562 0.030 . 2 . . . . 94 PRO HD3 . 11413 1 1053 . 1 1 94 94 PRO HG2 H 1 1.942 0.030 . 1 . . . . 94 PRO HG2 . 11413 1 1054 . 1 1 94 94 PRO HG3 H 1 1.942 0.030 . 1 . . . . 94 PRO HG3 . 11413 1 1055 . 1 1 94 94 PRO CA C 13 63.160 0.300 . 1 . . . . 94 PRO CA . 11413 1 1056 . 1 1 94 94 PRO CB C 13 32.107 0.300 . 1 . . . . 94 PRO CB . 11413 1 1057 . 1 1 94 94 PRO CD C 13 50.614 0.300 . 1 . . . . 94 PRO CD . 11413 1 1058 . 1 1 94 94 PRO CG C 13 27.338 0.300 . 1 . . . . 94 PRO CG . 11413 1 1059 . 1 1 95 95 HIS H H 1 8.315 0.030 . 1 . . . . 95 HIS H . 11413 1 1060 . 1 1 95 95 HIS HA H 1 4.628 0.030 . 1 . . . . 95 HIS HA . 11413 1 1061 . 1 1 95 95 HIS HB2 H 1 3.156 0.030 . 1 . . . . 95 HIS HB2 . 11413 1 1062 . 1 1 95 95 HIS HB3 H 1 3.156 0.030 . 1 . . . . 95 HIS HB3 . 11413 1 1063 . 1 1 95 95 HIS HD2 H 1 7.059 0.030 . 1 . . . . 95 HIS HD2 . 11413 1 1064 . 1 1 95 95 HIS HE1 H 1 7.995 0.030 . 1 . . . . 95 HIS HE1 . 11413 1 1065 . 1 1 95 95 HIS CA C 13 56.114 0.300 . 1 . . . . 95 HIS CA . 11413 1 1066 . 1 1 95 95 HIS CB C 13 30.204 0.300 . 1 . . . . 95 HIS CB . 11413 1 1067 . 1 1 95 95 HIS CD2 C 13 120.671 0.300 . 1 . . . . 95 HIS CD2 . 11413 1 1068 . 1 1 95 95 HIS CE1 C 13 137.926 0.300 . 1 . . . . 95 HIS CE1 . 11413 1 1069 . 1 1 95 95 HIS N N 15 118.984 0.300 . 1 . . . . 95 HIS N . 11413 1 1070 . 1 1 96 96 THR H H 1 7.739 0.030 . 1 . . . . 96 THR H . 11413 1 1071 . 1 1 96 96 THR HA H 1 4.128 0.030 . 1 . . . . 96 THR HA . 11413 1 1072 . 1 1 96 96 THR HB H 1 4.227 0.030 . 1 . . . . 96 THR HB . 11413 1 1073 . 1 1 96 96 THR HG21 H 1 1.115 0.030 . 1 . . . . 96 THR HG2 . 11413 1 1074 . 1 1 96 96 THR HG22 H 1 1.115 0.030 . 1 . . . . 96 THR HG2 . 11413 1 1075 . 1 1 96 96 THR HG23 H 1 1.115 0.030 . 1 . . . . 96 THR HG2 . 11413 1 1076 . 1 1 96 96 THR CA C 13 63.240 0.300 . 1 . . . . 96 THR CA . 11413 1 1077 . 1 1 96 96 THR CB C 13 70.733 0.300 . 1 . . . . 96 THR CB . 11413 1 1078 . 1 1 96 96 THR CG2 C 13 21.983 0.300 . 1 . . . . 96 THR CG2 . 11413 1 1079 . 1 1 96 96 THR N N 15 119.973 0.300 . 1 . . . . 96 THR N . 11413 1 stop_ save_