data_11356 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11356 _Entry.Title ; Solution structure of SH3 domain in Rac/Cdc42 guanine nucleotide exchange factor(GEF) 6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _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 F. He . . . 11356 2 Y. Muto . . . 11356 3 H. Uda . . . 11356 4 S. Koshiba . . . 11356 5 M. Shirouzu . . . 11356 6 T. Terada . . . 11356 7 T. Kigawa . . . 11356 8 M. Inoue . . . 11356 9 T. Yabuki . . . 11356 10 M. Aoki . . . 11356 11 E. Seki . . . 11356 12 T. Matsuda . . . 11356 13 H. Hirota . . . 11356 14 M. Yoshida . . . 11356 15 N. Kobayashi . . . 11356 16 A. Tanaka . . . 11356 17 T. Osanai . . . 11356 18 Y. Matsuo . . . 11356 19 O. Ohara . . . 11356 20 T. Nagase . . . 11356 21 R. Kikuno . . . 11356 22 M. Nagayama . . . 11356 23 S. Yokoyama . . . 11356 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)' . 11356 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11356 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 11356 '15N chemical shifts' 72 11356 '1H chemical shifts' 462 11356 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 . . 2011-09-07 2010-09-07 original author . 11356 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJY 'BMRB Entry Tracking System' 11356 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11356 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of SH3 domain in Rac/Cdc42 guanine nucleotide exchange factor(GEF) 6 ; _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 F. He . . . 11356 1 2 Y. Muto . . . 11356 1 3 H. Uda . . . 11356 1 4 S. Koshiba . . . 11356 1 5 M. Shirouzu . . . 11356 1 6 T. Terada . . . 11356 1 7 T. Kigawa . . . 11356 1 8 M. Inoue . . . 11356 1 9 T. Yabuki . . . 11356 1 10 M. Aoki . . . 11356 1 11 E. Seki . . . 11356 1 12 T. Matsuda . . . 11356 1 13 H. Hirota . . . 11356 1 14 M. Yoshida . . . 11356 1 15 N. Kobayashi . . . 11356 1 16 A. Tanaka . . . 11356 1 17 T. Osanai . . . 11356 1 18 Y. Matsuo . . . 11356 1 19 O. Ohara . . . 11356 1 20 T. Nagase . . . 11356 1 21 R. Kikuno . . . 11356 1 22 M. Nagayama . . . 11356 1 23 S. Yokoyama . . . 11356 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11356 _Assembly.ID 1 _Assembly.Name 'Rho guanine nucleotide exchange factor 6' _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11356 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 1ujy . . . . . . 11356 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11356 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGSHQLIVKARFNFK QTNEDELSVCKGDIIYVTRV EEGGWWEGTLNGRTGWFPSN YVREIKSSERSGPSSG ; _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 76 _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 PDB 1UJY . "Solution Structure Of Sh3 Domain In RacCDC42 GUANINE Nucleotide Exchange Factor(Gef) 6" . . . . . 100.00 76 100.00 100.00 3.76e-46 . . . . 11356 1 2 no DBJ BAA04985 . "KIAA0006 [Homo sapiens]" . . . . . 85.53 622 98.46 100.00 3.84e-37 . . . . 11356 1 3 no DBJ BAC30599 . "unnamed protein product [Mus musculus]" . . . . . 85.53 622 96.92 98.46 6.70e-37 . . . . 11356 1 4 no DBJ BAF84431 . "unnamed protein product [Homo sapiens]" . . . . . 85.53 776 98.46 100.00 1.02e-36 . . . . 11356 1 5 no DBJ BAH11929 . "unnamed protein product [Homo sapiens]" . . . . . 85.53 622 98.46 100.00 3.84e-37 . . . . 11356 1 6 no DBJ BAH13153 . "unnamed protein product [Homo sapiens]" . . . . . 85.53 304 98.46 100.00 9.00e-40 . . . . 11356 1 7 no EMBL CAD97632 . "hypothetical protein [Homo sapiens]" . . . . . 85.53 776 96.92 98.46 2.09e-35 . . . . 11356 1 8 no GB AAH39856 . "Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [Homo sapiens]" . . . . . 85.53 776 98.46 100.00 1.02e-36 . . . . 11356 1 9 no GB AAH43505 . "ARHGEF6 protein [Homo sapiens]" . . . . . 85.53 538 98.46 100.00 4.08e-37 . . . . 11356 1 10 no GB AAI56698 . "Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [synthetic construct]" . . . . . 85.53 771 96.92 98.46 2.01e-36 . . . . 11356 1 11 no GB AAM94903 . "Rac/Cdc42 guanine nucleotide exchange factor 6 [Mus musculus]" . . . . . 85.53 771 96.92 98.46 2.01e-36 . . . . 11356 1 12 no GB AAU43636 . "rac/cdc42 guanine nucleotide exchange factor 6 [Rattus norvegicus]" . . . . . 85.53 772 96.92 98.46 3.67e-36 . . . . 11356 1 13 no REF NP_001005565 . "rho guanine nucleotide exchange factor 6 [Rattus norvegicus]" . . . . . 85.53 772 96.92 98.46 3.67e-36 . . . . 11356 1 14 no REF NP_001179929 . "rho guanine nucleotide exchange factor 6 [Bos taurus]" . . . . . 84.21 776 100.00 100.00 1.06e-36 . . . . 11356 1 15 no REF NP_001253502 . "rho guanine nucleotide exchange factor 6 [Macaca mulatta]" . . . . . 85.53 776 98.46 100.00 9.56e-37 . . . . 11356 1 16 no REF NP_001293106 . "rho guanine nucleotide exchange factor 6 isoform 2 [Homo sapiens]" . . . . . 85.53 622 98.46 100.00 3.84e-37 . . . . 11356 1 17 no REF NP_004831 . "rho guanine nucleotide exchange factor 6 isoform 1 [Homo sapiens]" . . . . . 85.53 776 98.46 100.00 1.02e-36 . . . . 11356 1 18 no SP Q15052 . "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Alpha-Pix; AltName: Full=COOL-2; AltName: Full=PAK-intera" . . . . . 85.53 776 98.46 100.00 1.02e-36 . . . . 11356 1 19 no SP Q5XXR3 . "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Rac/Cdc42 guanine nucleotide exchange factor 6" . . . . . 85.53 772 96.92 98.46 3.67e-36 . . . . 11356 1 20 no SP Q8K4I3 . "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Alpha-PIX; AltName: Full=Rac/Cdc42 guanine nucleotide exc" . . . . . 85.53 771 96.92 98.46 2.01e-36 . . . . 11356 1 21 no TPG DAA13327 . "TPA: Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [Bos taurus]" . . . . . 84.21 776 100.00 100.00 1.06e-36 . . . . 11356 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11356 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 . 11356 1 2 . SER . 11356 1 3 . SER . 11356 1 4 . GLY . 11356 1 5 . SER . 11356 1 6 . SER . 11356 1 7 . GLY . 11356 1 8 . SER . 11356 1 9 . HIS . 11356 1 10 . GLN . 11356 1 11 . LEU . 11356 1 12 . ILE . 11356 1 13 . VAL . 11356 1 14 . LYS . 11356 1 15 . ALA . 11356 1 16 . ARG . 11356 1 17 . PHE . 11356 1 18 . ASN . 11356 1 19 . PHE . 11356 1 20 . LYS . 11356 1 21 . GLN . 11356 1 22 . THR . 11356 1 23 . ASN . 11356 1 24 . GLU . 11356 1 25 . ASP . 11356 1 26 . GLU . 11356 1 27 . LEU . 11356 1 28 . SER . 11356 1 29 . VAL . 11356 1 30 . CYS . 11356 1 31 . LYS . 11356 1 32 . GLY . 11356 1 33 . ASP . 11356 1 34 . ILE . 11356 1 35 . ILE . 11356 1 36 . TYR . 11356 1 37 . VAL . 11356 1 38 . THR . 11356 1 39 . ARG . 11356 1 40 . VAL . 11356 1 41 . GLU . 11356 1 42 . GLU . 11356 1 43 . GLY . 11356 1 44 . GLY . 11356 1 45 . TRP . 11356 1 46 . TRP . 11356 1 47 . GLU . 11356 1 48 . GLY . 11356 1 49 . THR . 11356 1 50 . LEU . 11356 1 51 . ASN . 11356 1 52 . GLY . 11356 1 53 . ARG . 11356 1 54 . THR . 11356 1 55 . GLY . 11356 1 56 . TRP . 11356 1 57 . PHE . 11356 1 58 . PRO . 11356 1 59 . SER . 11356 1 60 . ASN . 11356 1 61 . TYR . 11356 1 62 . VAL . 11356 1 63 . ARG . 11356 1 64 . GLU . 11356 1 65 . ILE . 11356 1 66 . LYS . 11356 1 67 . SER . 11356 1 68 . SER . 11356 1 69 . GLU . 11356 1 70 . ARG . 11356 1 71 . SER . 11356 1 72 . GLY . 11356 1 73 . PRO . 11356 1 74 . SER . 11356 1 75 . SER . 11356 1 76 . GLY . 11356 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 11356 1 . SER 2 2 11356 1 . SER 3 3 11356 1 . GLY 4 4 11356 1 . SER 5 5 11356 1 . SER 6 6 11356 1 . GLY 7 7 11356 1 . SER 8 8 11356 1 . HIS 9 9 11356 1 . GLN 10 10 11356 1 . LEU 11 11 11356 1 . ILE 12 12 11356 1 . VAL 13 13 11356 1 . LYS 14 14 11356 1 . ALA 15 15 11356 1 . ARG 16 16 11356 1 . PHE 17 17 11356 1 . ASN 18 18 11356 1 . PHE 19 19 11356 1 . LYS 20 20 11356 1 . GLN 21 21 11356 1 . THR 22 22 11356 1 . ASN 23 23 11356 1 . GLU 24 24 11356 1 . ASP 25 25 11356 1 . GLU 26 26 11356 1 . LEU 27 27 11356 1 . SER 28 28 11356 1 . VAL 29 29 11356 1 . CYS 30 30 11356 1 . LYS 31 31 11356 1 . GLY 32 32 11356 1 . ASP 33 33 11356 1 . ILE 34 34 11356 1 . ILE 35 35 11356 1 . TYR 36 36 11356 1 . VAL 37 37 11356 1 . THR 38 38 11356 1 . ARG 39 39 11356 1 . VAL 40 40 11356 1 . GLU 41 41 11356 1 . GLU 42 42 11356 1 . GLY 43 43 11356 1 . GLY 44 44 11356 1 . TRP 45 45 11356 1 . TRP 46 46 11356 1 . GLU 47 47 11356 1 . GLY 48 48 11356 1 . THR 49 49 11356 1 . LEU 50 50 11356 1 . ASN 51 51 11356 1 . GLY 52 52 11356 1 . ARG 53 53 11356 1 . THR 54 54 11356 1 . GLY 55 55 11356 1 . TRP 56 56 11356 1 . PHE 57 57 11356 1 . PRO 58 58 11356 1 . SER 59 59 11356 1 . ASN 60 60 11356 1 . TYR 61 61 11356 1 . VAL 62 62 11356 1 . ARG 63 63 11356 1 . GLU 64 64 11356 1 . ILE 65 65 11356 1 . LYS 66 66 11356 1 . SER 67 67 11356 1 . SER 68 68 11356 1 . GLU 69 69 11356 1 . ARG 70 70 11356 1 . SER 71 71 11356 1 . GLY 72 72 11356 1 . PRO 73 73 11356 1 . SER 74 74 11356 1 . SER 75 75 11356 1 . GLY 76 76 11356 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 11356 _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 . . . . . . . . . . . . . . . . . . . . . 11356 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 11356 _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 . . . . . . . . . . . . . plasmid . . P021021-16 . . . . . . 11356 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11356 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8mM SH3 U-15N, {13C;} 20mM phosphate buffer {NA;} 100mM {NaCl;} 0.02% {NaN3;} 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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11356 1 2 'phosphate buffer NA' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11356 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11356 1 4 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11356 1 5 H2O . . . . . . solvent 90 . . % . . . . 11356 1 6 D2O . . . . . . solvent 10 . . % . . . . 11356 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 11356 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11356 1 pH 6.0 0.05 pH 11356 1 pressure 1 0.001 atm 11356 1 temperature 298 0.1 K 11356 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11356 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11356 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11356 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11356 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F.' . . 11356 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11356 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11356 _Software.ID 3 _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 B.A.' . . 11356 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11356 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11356 _Software.ID 4 _Software.Name Kujira _Software.Version 0.811 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11356 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11356 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11356 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 11356 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11356 5 'structure solution' 11356 5 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 11356 _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 11356 _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 . . . 11356 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 11356 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11356 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11356 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 11356 _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 . . . . . . . . . 11356 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11356 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11356 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 11356 _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 15N-separated NOESY' 1 $sample_1 isotropic 11356 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11356 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 $XWINNMR . . 11356 1 2 $NMRPipe . . 11356 1 3 $NMRView . . 11356 1 4 $Kujira . . 11356 1 5 $CYANA . . 11356 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY H H 1 8.371 0.030 . 1 . . . . 7 GLY H . 11356 1 2 . 1 1 7 7 GLY HA2 H 1 3.934 0.030 . 1 . . . . 7 GLY HA2 . 11356 1 3 . 1 1 7 7 GLY HA3 H 1 3.934 0.030 . 1 . . . . 7 GLY HA3 . 11356 1 4 . 1 1 7 7 GLY C C 13 174.111 0.300 . 1 . . . . 7 GLY C . 11356 1 5 . 1 1 7 7 GLY CA C 13 45.334 0.300 . 1 . . . . 7 GLY CA . 11356 1 6 . 1 1 7 7 GLY N N 15 110.736 0.300 . 1 . . . . 7 GLY N . 11356 1 7 . 1 1 8 8 SER H H 1 8.139 0.030 . 1 . . . . 8 SER H . 11356 1 8 . 1 1 8 8 SER HA H 1 4.343 0.030 . 1 . . . . 8 SER HA . 11356 1 9 . 1 1 8 8 SER HB2 H 1 3.732 0.030 . 1 . . . . 8 SER HB2 . 11356 1 10 . 1 1 8 8 SER HB3 H 1 3.732 0.030 . 1 . . . . 8 SER HB3 . 11356 1 11 . 1 1 8 8 SER C C 13 174.123 0.300 . 1 . . . . 8 SER C . 11356 1 12 . 1 1 8 8 SER CA C 13 58.253 0.300 . 1 . . . . 8 SER CA . 11356 1 13 . 1 1 8 8 SER CB C 13 63.744 0.300 . 1 . . . . 8 SER CB . 11356 1 14 . 1 1 8 8 SER N N 15 115.658 0.300 . 1 . . . . 8 SER N . 11356 1 15 . 1 1 9 9 HIS H H 1 8.330 0.030 . 1 . . . . 9 HIS H . 11356 1 16 . 1 1 9 9 HIS HA H 1 4.642 0.030 . 1 . . . . 9 HIS HA . 11356 1 17 . 1 1 9 9 HIS HB2 H 1 3.114 0.030 . 2 . . . . 9 HIS HB2 . 11356 1 18 . 1 1 9 9 HIS HB3 H 1 2.987 0.030 . 2 . . . . 9 HIS HB3 . 11356 1 19 . 1 1 9 9 HIS HD2 H 1 6.996 0.030 . 1 . . . . 9 HIS HD2 . 11356 1 20 . 1 1 9 9 HIS HE1 H 1 8.289 0.030 . 1 . . . . 9 HIS HE1 . 11356 1 21 . 1 1 9 9 HIS C C 13 173.907 0.300 . 1 . . . . 9 HIS C . 11356 1 22 . 1 1 9 9 HIS CA C 13 55.297 0.300 . 1 . . . . 9 HIS CA . 11356 1 23 . 1 1 9 9 HIS CB C 13 29.481 0.300 . 1 . . . . 9 HIS CB . 11356 1 24 . 1 1 9 9 HIS CD2 C 13 119.977 0.300 . 1 . . . . 9 HIS CD2 . 11356 1 25 . 1 1 9 9 HIS CE1 C 13 136.826 0.300 . 1 . . . . 9 HIS CE1 . 11356 1 26 . 1 1 9 9 HIS N N 15 120.199 0.300 . 1 . . . . 9 HIS N . 11356 1 27 . 1 1 10 10 GLN H H 1 8.368 0.030 . 1 . . . . 10 GLN H . 11356 1 28 . 1 1 10 10 GLN HA H 1 4.219 0.030 . 1 . . . . 10 GLN HA . 11356 1 29 . 1 1 10 10 GLN HB2 H 1 1.861 0.030 . 2 . . . . 10 GLN HB2 . 11356 1 30 . 1 1 10 10 GLN HB3 H 1 1.953 0.030 . 2 . . . . 10 GLN HB3 . 11356 1 31 . 1 1 10 10 GLN HG2 H 1 2.258 0.030 . 1 . . . . 10 GLN HG2 . 11356 1 32 . 1 1 10 10 GLN HG3 H 1 2.258 0.030 . 1 . . . . 10 GLN HG3 . 11356 1 33 . 1 1 10 10 GLN C C 13 174.771 0.300 . 1 . . . . 10 GLN C . 11356 1 34 . 1 1 10 10 GLN CA C 13 55.782 0.300 . 1 . . . . 10 GLN CA . 11356 1 35 . 1 1 10 10 GLN CB C 13 30.058 0.300 . 1 . . . . 10 GLN CB . 11356 1 36 . 1 1 10 10 GLN CG C 13 33.746 0.300 . 1 . . . . 10 GLN CG . 11356 1 37 . 1 1 10 10 GLN N N 15 122.212 0.300 . 1 . . . . 10 GLN N . 11356 1 38 . 1 1 11 11 LEU H H 1 8.489 0.030 . 1 . . . . 11 LEU H . 11356 1 39 . 1 1 11 11 LEU HA H 1 4.396 0.030 . 1 . . . . 11 LEU HA . 11356 1 40 . 1 1 11 11 LEU HB2 H 1 1.525 0.030 . 2 . . . . 11 LEU HB2 . 11356 1 41 . 1 1 11 11 LEU HB3 H 1 1.307 0.030 . 2 . . . . 11 LEU HB3 . 11356 1 42 . 1 1 11 11 LEU HD11 H 1 0.570 0.030 . 1 . . . . 11 LEU HD1 . 11356 1 43 . 1 1 11 11 LEU HD12 H 1 0.570 0.030 . 1 . . . . 11 LEU HD1 . 11356 1 44 . 1 1 11 11 LEU HD13 H 1 0.570 0.030 . 1 . . . . 11 LEU HD1 . 11356 1 45 . 1 1 11 11 LEU HD21 H 1 0.757 0.030 . 1 . . . . 11 LEU HD2 . 11356 1 46 . 1 1 11 11 LEU HD22 H 1 0.757 0.030 . 1 . . . . 11 LEU HD2 . 11356 1 47 . 1 1 11 11 LEU HD23 H 1 0.757 0.030 . 1 . . . . 11 LEU HD2 . 11356 1 48 . 1 1 11 11 LEU HG H 1 1.300 0.030 . 1 . . . . 11 LEU HG . 11356 1 49 . 1 1 11 11 LEU C C 13 174.073 0.300 . 1 . . . . 11 LEU C . 11356 1 50 . 1 1 11 11 LEU CA C 13 55.274 0.300 . 1 . . . . 11 LEU CA . 11356 1 51 . 1 1 11 11 LEU CB C 13 43.161 0.300 . 1 . . . . 11 LEU CB . 11356 1 52 . 1 1 11 11 LEU CD1 C 13 25.518 0.300 . 2 . . . . 11 LEU CD1 . 11356 1 53 . 1 1 11 11 LEU CD2 C 13 23.999 0.300 . 2 . . . . 11 LEU CD2 . 11356 1 54 . 1 1 11 11 LEU CG C 13 27.377 0.300 . 1 . . . . 11 LEU CG . 11356 1 55 . 1 1 11 11 LEU N N 15 126.013 0.300 . 1 . . . . 11 LEU N . 11356 1 56 . 1 1 12 12 ILE H H 1 8.505 0.030 . 1 . . . . 12 ILE H . 11356 1 57 . 1 1 12 12 ILE HA H 1 4.614 0.030 . 1 . . . . 12 ILE HA . 11356 1 58 . 1 1 12 12 ILE HB H 1 1.481 0.030 . 1 . . . . 12 ILE HB . 11356 1 59 . 1 1 12 12 ILE HD11 H 1 0.694 0.030 . 1 . . . . 12 ILE HD1 . 11356 1 60 . 1 1 12 12 ILE HD12 H 1 0.694 0.030 . 1 . . . . 12 ILE HD1 . 11356 1 61 . 1 1 12 12 ILE HD13 H 1 0.694 0.030 . 1 . . . . 12 ILE HD1 . 11356 1 62 . 1 1 12 12 ILE HG12 H 1 0.529 0.030 . 2 . . . . 12 ILE HG12 . 11356 1 63 . 1 1 12 12 ILE HG13 H 1 1.399 0.030 . 2 . . . . 12 ILE HG13 . 11356 1 64 . 1 1 12 12 ILE HG21 H 1 0.458 0.030 . 1 . . . . 12 ILE HG2 . 11356 1 65 . 1 1 12 12 ILE HG22 H 1 0.458 0.030 . 1 . . . . 12 ILE HG2 . 11356 1 66 . 1 1 12 12 ILE HG23 H 1 0.458 0.030 . 1 . . . . 12 ILE HG2 . 11356 1 67 . 1 1 12 12 ILE C C 13 175.508 0.300 . 1 . . . . 12 ILE C . 11356 1 68 . 1 1 12 12 ILE CA C 13 60.638 0.300 . 1 . . . . 12 ILE CA . 11356 1 69 . 1 1 12 12 ILE CB C 13 39.713 0.300 . 1 . . . . 12 ILE CB . 11356 1 70 . 1 1 12 12 ILE CD1 C 13 13.824 0.300 . 1 . . . . 12 ILE CD1 . 11356 1 71 . 1 1 12 12 ILE CG1 C 13 27.096 0.300 . 1 . . . . 12 ILE CG1 . 11356 1 72 . 1 1 12 12 ILE CG2 C 13 18.505 0.300 . 1 . . . . 12 ILE CG2 . 11356 1 73 . 1 1 12 12 ILE N N 15 126.746 0.300 . 1 . . . . 12 ILE N . 11356 1 74 . 1 1 13 13 VAL H H 1 8.670 0.030 . 1 . . . . 13 VAL H . 11356 1 75 . 1 1 13 13 VAL HA H 1 5.071 0.030 . 1 . . . . 13 VAL HA . 11356 1 76 . 1 1 13 13 VAL HB H 1 1.839 0.030 . 1 . . . . 13 VAL HB . 11356 1 77 . 1 1 13 13 VAL HG11 H 1 0.905 0.030 . 1 . . . . 13 VAL HG1 . 11356 1 78 . 1 1 13 13 VAL HG12 H 1 0.905 0.030 . 1 . . . . 13 VAL HG1 . 11356 1 79 . 1 1 13 13 VAL HG13 H 1 0.905 0.030 . 1 . . . . 13 VAL HG1 . 11356 1 80 . 1 1 13 13 VAL HG21 H 1 0.697 0.030 . 1 . . . . 13 VAL HG2 . 11356 1 81 . 1 1 13 13 VAL HG22 H 1 0.697 0.030 . 1 . . . . 13 VAL HG2 . 11356 1 82 . 1 1 13 13 VAL HG23 H 1 0.697 0.030 . 1 . . . . 13 VAL HG2 . 11356 1 83 . 1 1 13 13 VAL C C 13 172.624 0.300 . 1 . . . . 13 VAL C . 11356 1 84 . 1 1 13 13 VAL CA C 13 57.670 0.300 . 1 . . . . 13 VAL CA . 11356 1 85 . 1 1 13 13 VAL CB C 13 36.044 0.300 . 1 . . . . 13 VAL CB . 11356 1 86 . 1 1 13 13 VAL CG1 C 13 21.369 0.300 . 2 . . . . 13 VAL CG1 . 11356 1 87 . 1 1 13 13 VAL CG2 C 13 19.739 0.300 . 2 . . . . 13 VAL CG2 . 11356 1 88 . 1 1 13 13 VAL N N 15 116.595 0.300 . 1 . . . . 13 VAL N . 11356 1 89 . 1 1 14 14 LYS H H 1 8.797 0.030 . 1 . . . . 14 LYS H . 11356 1 90 . 1 1 14 14 LYS HA H 1 5.378 0.030 . 1 . . . . 14 LYS HA . 11356 1 91 . 1 1 14 14 LYS HB2 H 1 1.520 0.030 . 2 . . . . 14 LYS HB2 . 11356 1 92 . 1 1 14 14 LYS HB3 H 1 1.289 0.030 . 2 . . . . 14 LYS HB3 . 11356 1 93 . 1 1 14 14 LYS HD2 H 1 1.494 0.030 . 2 . . . . 14 LYS HD2 . 11356 1 94 . 1 1 14 14 LYS HD3 H 1 1.553 0.030 . 2 . . . . 14 LYS HD3 . 11356 1 95 . 1 1 14 14 LYS HE2 H 1 2.817 0.030 . 1 . . . . 14 LYS HE2 . 11356 1 96 . 1 1 14 14 LYS HE3 H 1 2.817 0.030 . 1 . . . . 14 LYS HE3 . 11356 1 97 . 1 1 14 14 LYS HG2 H 1 1.100 0.030 . 1 . . . . 14 LYS HG2 . 11356 1 98 . 1 1 14 14 LYS HG3 H 1 1.100 0.030 . 1 . . . . 14 LYS HG3 . 11356 1 99 . 1 1 14 14 LYS C C 13 177.210 0.300 . 1 . . . . 14 LYS C . 11356 1 100 . 1 1 14 14 LYS CA C 13 53.241 0.300 . 1 . . . . 14 LYS CA . 11356 1 101 . 1 1 14 14 LYS CB C 13 36.231 0.300 . 1 . . . . 14 LYS CB . 11356 1 102 . 1 1 14 14 LYS CD C 13 29.777 0.300 . 1 . . . . 14 LYS CD . 11356 1 103 . 1 1 14 14 LYS CE C 13 41.811 0.300 . 1 . . . . 14 LYS CE . 11356 1 104 . 1 1 14 14 LYS CG C 13 24.586 0.300 . 1 . . . . 14 LYS CG . 11356 1 105 . 1 1 14 14 LYS N N 15 120.090 0.300 . 1 . . . . 14 LYS N . 11356 1 106 . 1 1 15 15 ALA H H 1 9.033 0.030 . 1 . . . . 15 ALA H . 11356 1 107 . 1 1 15 15 ALA HA H 1 4.386 0.030 . 1 . . . . 15 ALA HA . 11356 1 108 . 1 1 15 15 ALA HB1 H 1 1.330 0.030 . 1 . . . . 15 ALA HB . 11356 1 109 . 1 1 15 15 ALA HB2 H 1 1.330 0.030 . 1 . . . . 15 ALA HB . 11356 1 110 . 1 1 15 15 ALA HB3 H 1 1.330 0.030 . 1 . . . . 15 ALA HB . 11356 1 111 . 1 1 15 15 ALA C C 13 178.430 0.300 . 1 . . . . 15 ALA C . 11356 1 112 . 1 1 15 15 ALA CA C 13 52.870 0.300 . 1 . . . . 15 ALA CA . 11356 1 113 . 1 1 15 15 ALA CB C 13 18.653 0.300 . 1 . . . . 15 ALA CB . 11356 1 114 . 1 1 15 15 ALA N N 15 128.315 0.300 . 1 . . . . 15 ALA N . 11356 1 115 . 1 1 16 16 ARG H H 1 9.379 0.030 . 1 . . . . 16 ARG H . 11356 1 116 . 1 1 16 16 ARG HA H 1 4.007 0.030 . 1 . . . . 16 ARG HA . 11356 1 117 . 1 1 16 16 ARG HB2 H 1 1.111 0.030 . 2 . . . . 16 ARG HB2 . 11356 1 118 . 1 1 16 16 ARG HB3 H 1 0.894 0.030 . 2 . . . . 16 ARG HB3 . 11356 1 119 . 1 1 16 16 ARG HD2 H 1 2.620 0.030 . 2 . . . . 16 ARG HD2 . 11356 1 120 . 1 1 16 16 ARG HD3 H 1 2.773 0.030 . 2 . . . . 16 ARG HD3 . 11356 1 121 . 1 1 16 16 ARG HG2 H 1 1.079 0.030 . 2 . . . . 16 ARG HG2 . 11356 1 122 . 1 1 16 16 ARG HG3 H 1 0.941 0.030 . 2 . . . . 16 ARG HG3 . 11356 1 123 . 1 1 16 16 ARG C C 13 173.679 0.300 . 1 . . . . 16 ARG C . 11356 1 124 . 1 1 16 16 ARG CA C 13 56.225 0.300 . 1 . . . . 16 ARG CA . 11356 1 125 . 1 1 16 16 ARG CB C 13 31.679 0.300 . 1 . . . . 16 ARG CB . 11356 1 126 . 1 1 16 16 ARG CD C 13 43.618 0.300 . 1 . . . . 16 ARG CD . 11356 1 127 . 1 1 16 16 ARG CG C 13 26.680 0.300 . 1 . . . . 16 ARG CG . 11356 1 128 . 1 1 16 16 ARG N N 15 124.117 0.300 . 1 . . . . 16 ARG N . 11356 1 129 . 1 1 17 17 PHE H H 1 6.944 0.030 . 1 . . . . 17 PHE H . 11356 1 130 . 1 1 17 17 PHE HA H 1 4.748 0.030 . 1 . . . . 17 PHE HA . 11356 1 131 . 1 1 17 17 PHE HB2 H 1 3.038 0.030 . 2 . . . . 17 PHE HB2 . 11356 1 132 . 1 1 17 17 PHE HB3 H 1 2.120 0.030 . 2 . . . . 17 PHE HB3 . 11356 1 133 . 1 1 17 17 PHE HD1 H 1 6.694 0.030 . 1 . . . . 17 PHE HD1 . 11356 1 134 . 1 1 17 17 PHE HD2 H 1 6.694 0.030 . 1 . . . . 17 PHE HD2 . 11356 1 135 . 1 1 17 17 PHE HE1 H 1 6.991 0.030 . 1 . . . . 17 PHE HE1 . 11356 1 136 . 1 1 17 17 PHE HE2 H 1 6.991 0.030 . 1 . . . . 17 PHE HE2 . 11356 1 137 . 1 1 17 17 PHE HZ H 1 7.016 0.030 . 1 . . . . 17 PHE HZ . 11356 1 138 . 1 1 17 17 PHE C C 13 172.955 0.300 . 1 . . . . 17 PHE C . 11356 1 139 . 1 1 17 17 PHE CA C 13 53.821 0.300 . 1 . . . . 17 PHE CA . 11356 1 140 . 1 1 17 17 PHE CB C 13 43.091 0.300 . 1 . . . . 17 PHE CB . 11356 1 141 . 1 1 17 17 PHE CD1 C 13 132.118 0.300 . 1 . . . . 17 PHE CD1 . 11356 1 142 . 1 1 17 17 PHE CD2 C 13 132.118 0.300 . 1 . . . . 17 PHE CD2 . 11356 1 143 . 1 1 17 17 PHE CE1 C 13 130.603 0.300 . 1 . . . . 17 PHE CE1 . 11356 1 144 . 1 1 17 17 PHE CE2 C 13 130.603 0.300 . 1 . . . . 17 PHE CE2 . 11356 1 145 . 1 1 17 17 PHE CZ C 13 129.398 0.300 . 1 . . . . 17 PHE CZ . 11356 1 146 . 1 1 17 17 PHE N N 15 113.725 0.300 . 1 . . . . 17 PHE N . 11356 1 147 . 1 1 18 18 ASN H H 1 8.377 0.030 . 1 . . . . 18 ASN H . 11356 1 148 . 1 1 18 18 ASN HA H 1 4.901 0.030 . 1 . . . . 18 ASN HA . 11356 1 149 . 1 1 18 18 ASN HB2 H 1 2.810 0.030 . 1 . . . . 18 ASN HB2 . 11356 1 150 . 1 1 18 18 ASN HB3 H 1 2.810 0.030 . 1 . . . . 18 ASN HB3 . 11356 1 151 . 1 1 18 18 ASN C C 13 175.165 0.300 . 1 . . . . 18 ASN C . 11356 1 152 . 1 1 18 18 ASN CA C 13 52.859 0.300 . 1 . . . . 18 ASN CA . 11356 1 153 . 1 1 18 18 ASN CB C 13 39.418 0.300 . 1 . . . . 18 ASN CB . 11356 1 154 . 1 1 18 18 ASN N N 15 115.438 0.300 . 1 . . . . 18 ASN N . 11356 1 155 . 1 1 19 19 PHE H H 1 9.230 0.030 . 1 . . . . 19 PHE H . 11356 1 156 . 1 1 19 19 PHE HA H 1 4.919 0.030 . 1 . . . . 19 PHE HA . 11356 1 157 . 1 1 19 19 PHE HB2 H 1 3.198 0.030 . 2 . . . . 19 PHE HB2 . 11356 1 158 . 1 1 19 19 PHE HB3 H 1 2.856 0.030 . 2 . . . . 19 PHE HB3 . 11356 1 159 . 1 1 19 19 PHE HD1 H 1 7.420 0.030 . 1 . . . . 19 PHE HD1 . 11356 1 160 . 1 1 19 19 PHE HD2 H 1 7.420 0.030 . 1 . . . . 19 PHE HD2 . 11356 1 161 . 1 1 19 19 PHE HE1 H 1 7.503 0.030 . 1 . . . . 19 PHE HE1 . 11356 1 162 . 1 1 19 19 PHE HE2 H 1 7.503 0.030 . 1 . . . . 19 PHE HE2 . 11356 1 163 . 1 1 19 19 PHE HZ H 1 7.601 0.030 . 1 . . . . 19 PHE HZ . 11356 1 164 . 1 1 19 19 PHE C C 13 172.967 0.300 . 1 . . . . 19 PHE C . 11356 1 165 . 1 1 19 19 PHE CA C 13 57.758 0.300 . 1 . . . . 19 PHE CA . 11356 1 166 . 1 1 19 19 PHE CB C 13 42.667 0.300 . 1 . . . . 19 PHE CB . 11356 1 167 . 1 1 19 19 PHE CD1 C 13 132.582 0.300 . 1 . . . . 19 PHE CD1 . 11356 1 168 . 1 1 19 19 PHE CD2 C 13 132.582 0.300 . 1 . . . . 19 PHE CD2 . 11356 1 169 . 1 1 19 19 PHE CE1 C 13 131.570 0.300 . 1 . . . . 19 PHE CE1 . 11356 1 170 . 1 1 19 19 PHE CE2 C 13 131.570 0.300 . 1 . . . . 19 PHE CE2 . 11356 1 171 . 1 1 19 19 PHE CZ C 13 130.733 0.300 . 1 . . . . 19 PHE CZ . 11356 1 172 . 1 1 19 19 PHE N N 15 121.546 0.300 . 1 . . . . 19 PHE N . 11356 1 173 . 1 1 20 20 LYS H H 1 7.977 0.030 . 1 . . . . 20 LYS H . 11356 1 174 . 1 1 20 20 LYS HA H 1 4.303 0.030 . 1 . . . . 20 LYS HA . 11356 1 175 . 1 1 20 20 LYS HB2 H 1 1.460 0.030 . 2 . . . . 20 LYS HB2 . 11356 1 176 . 1 1 20 20 LYS HB3 H 1 1.524 0.030 . 2 . . . . 20 LYS HB3 . 11356 1 177 . 1 1 20 20 LYS HD2 H 1 1.575 0.030 . 1 . . . . 20 LYS HD2 . 11356 1 178 . 1 1 20 20 LYS HD3 H 1 1.575 0.030 . 1 . . . . 20 LYS HD3 . 11356 1 179 . 1 1 20 20 LYS HE2 H 1 2.873 0.030 . 1 . . . . 20 LYS HE2 . 11356 1 180 . 1 1 20 20 LYS HE3 H 1 2.873 0.030 . 1 . . . . 20 LYS HE3 . 11356 1 181 . 1 1 20 20 LYS HG2 H 1 1.282 0.030 . 1 . . . . 20 LYS HG2 . 11356 1 182 . 1 1 20 20 LYS HG3 H 1 1.282 0.030 . 1 . . . . 20 LYS HG3 . 11356 1 183 . 1 1 20 20 LYS C C 13 173.920 0.300 . 1 . . . . 20 LYS C . 11356 1 184 . 1 1 20 20 LYS CA C 13 54.160 0.300 . 1 . . . . 20 LYS CA . 11356 1 185 . 1 1 20 20 LYS CB C 13 33.377 0.300 . 1 . . . . 20 LYS CB . 11356 1 186 . 1 1 20 20 LYS CD C 13 29.020 0.300 . 1 . . . . 20 LYS CD . 11356 1 187 . 1 1 20 20 LYS CE C 13 42.037 0.300 . 1 . . . . 20 LYS CE . 11356 1 188 . 1 1 20 20 LYS CG C 13 24.403 0.300 . 1 . . . . 20 LYS CG . 11356 1 189 . 1 1 20 20 LYS N N 15 129.460 0.300 . 1 . . . . 20 LYS N . 11356 1 190 . 1 1 21 21 GLN H H 1 8.099 0.030 . 1 . . . . 21 GLN H . 11356 1 191 . 1 1 21 21 GLN HA H 1 4.070 0.030 . 1 . . . . 21 GLN HA . 11356 1 192 . 1 1 21 21 GLN HB2 H 1 1.937 0.030 . 2 . . . . 21 GLN HB2 . 11356 1 193 . 1 1 21 21 GLN HB3 H 1 2.357 0.030 . 2 . . . . 21 GLN HB3 . 11356 1 194 . 1 1 21 21 GLN HE21 H 1 7.446 0.030 . 2 . . . . 21 GLN HE21 . 11356 1 195 . 1 1 21 21 GLN HE22 H 1 6.968 0.030 . 2 . . . . 21 GLN HE22 . 11356 1 196 . 1 1 21 21 GLN HG2 H 1 2.189 0.030 . 2 . . . . 21 GLN HG2 . 11356 1 197 . 1 1 21 21 GLN HG3 H 1 2.041 0.030 . 2 . . . . 21 GLN HG3 . 11356 1 198 . 1 1 21 21 GLN C C 13 175.445 0.300 . 1 . . . . 21 GLN C . 11356 1 199 . 1 1 21 21 GLN CA C 13 56.049 0.300 . 1 . . . . 21 GLN CA . 11356 1 200 . 1 1 21 21 GLN CB C 13 29.382 0.300 . 1 . . . . 21 GLN CB . 11356 1 201 . 1 1 21 21 GLN CG C 13 33.411 0.300 . 1 . . . . 21 GLN CG . 11356 1 202 . 1 1 21 21 GLN N N 15 122.793 0.300 . 1 . . . . 21 GLN N . 11356 1 203 . 1 1 21 21 GLN NE2 N 15 113.169 0.300 . 1 . . . . 21 GLN NE2 . 11356 1 204 . 1 1 22 22 THR H H 1 9.346 0.030 . 1 . . . . 22 THR H . 11356 1 205 . 1 1 22 22 THR HA H 1 4.461 0.030 . 1 . . . . 22 THR HA . 11356 1 206 . 1 1 22 22 THR HB H 1 4.290 0.030 . 1 . . . . 22 THR HB . 11356 1 207 . 1 1 22 22 THR HG21 H 1 1.229 0.030 . 1 . . . . 22 THR HG2 . 11356 1 208 . 1 1 22 22 THR HG22 H 1 1.229 0.030 . 1 . . . . 22 THR HG2 . 11356 1 209 . 1 1 22 22 THR HG23 H 1 1.229 0.030 . 1 . . . . 22 THR HG2 . 11356 1 210 . 1 1 22 22 THR C C 13 174.009 0.300 . 1 . . . . 22 THR C . 11356 1 211 . 1 1 22 22 THR CA C 13 62.182 0.300 . 1 . . . . 22 THR CA . 11356 1 212 . 1 1 22 22 THR CB C 13 70.221 0.300 . 1 . . . . 22 THR CB . 11356 1 213 . 1 1 22 22 THR CG2 C 13 21.866 0.300 . 1 . . . . 22 THR CG2 . 11356 1 214 . 1 1 22 22 THR N N 15 115.274 0.300 . 1 . . . . 22 THR N . 11356 1 215 . 1 1 23 23 ASN H H 1 7.697 0.030 . 1 . . . . 23 ASN H . 11356 1 216 . 1 1 23 23 ASN HA H 1 4.754 0.030 . 1 . . . . 23 ASN HA . 11356 1 217 . 1 1 23 23 ASN HB2 H 1 2.831 0.030 . 2 . . . . 23 ASN HB2 . 11356 1 218 . 1 1 23 23 ASN HB3 H 1 2.685 0.030 . 2 . . . . 23 ASN HB3 . 11356 1 219 . 1 1 23 23 ASN HD21 H 1 6.494 0.030 . 2 . . . . 23 ASN HD21 . 11356 1 220 . 1 1 23 23 ASN HD22 H 1 7.363 0.030 . 2 . . . . 23 ASN HD22 . 11356 1 221 . 1 1 23 23 ASN C C 13 175.864 0.300 . 1 . . . . 23 ASN C . 11356 1 222 . 1 1 23 23 ASN CA C 13 52.260 0.300 . 1 . . . . 23 ASN CA . 11356 1 223 . 1 1 23 23 ASN CB C 13 40.966 0.300 . 1 . . . . 23 ASN CB . 11356 1 224 . 1 1 23 23 ASN N N 15 117.684 0.300 . 1 . . . . 23 ASN N . 11356 1 225 . 1 1 23 23 ASN ND2 N 15 114.984 0.300 . 1 . . . . 23 ASN ND2 . 11356 1 226 . 1 1 24 24 GLU H H 1 8.856 0.030 . 1 . . . . 24 GLU H . 11356 1 227 . 1 1 24 24 GLU HA H 1 4.040 0.030 . 1 . . . . 24 GLU HA . 11356 1 228 . 1 1 24 24 GLU HB2 H 1 2.100 0.030 . 2 . . . . 24 GLU HB2 . 11356 1 229 . 1 1 24 24 GLU HB3 H 1 2.018 0.030 . 2 . . . . 24 GLU HB3 . 11356 1 230 . 1 1 24 24 GLU HG2 H 1 2.310 0.030 . 1 . . . . 24 GLU HG2 . 11356 1 231 . 1 1 24 24 GLU HG3 H 1 2.310 0.030 . 1 . . . . 24 GLU HG3 . 11356 1 232 . 1 1 24 24 GLU C C 13 176.232 0.300 . 1 . . . . 24 GLU C . 11356 1 233 . 1 1 24 24 GLU CA C 13 58.814 0.300 . 1 . . . . 24 GLU CA . 11356 1 234 . 1 1 24 24 GLU CB C 13 29.620 0.300 . 1 . . . . 24 GLU CB . 11356 1 235 . 1 1 24 24 GLU CG C 13 36.111 0.300 . 1 . . . . 24 GLU CG . 11356 1 236 . 1 1 24 24 GLU N N 15 117.829 0.300 . 1 . . . . 24 GLU N . 11356 1 237 . 1 1 25 25 ASP H H 1 8.463 0.030 . 1 . . . . 25 ASP H . 11356 1 238 . 1 1 25 25 ASP HA H 1 4.865 0.030 . 1 . . . . 25 ASP HA . 11356 1 239 . 1 1 25 25 ASP HB2 H 1 2.849 0.030 . 1 . . . . 25 ASP HB2 . 11356 1 240 . 1 1 25 25 ASP HB3 H 1 2.849 0.030 . 1 . . . . 25 ASP HB3 . 11356 1 241 . 1 1 25 25 ASP C C 13 176.080 0.300 . 1 . . . . 25 ASP C . 11356 1 242 . 1 1 25 25 ASP CA C 13 54.228 0.300 . 1 . . . . 25 ASP CA . 11356 1 243 . 1 1 25 25 ASP CB C 13 40.864 0.300 . 1 . . . . 25 ASP CB . 11356 1 244 . 1 1 25 25 ASP N N 15 116.997 0.300 . 1 . . . . 25 ASP N . 11356 1 245 . 1 1 26 26 GLU H H 1 7.439 0.030 . 1 . . . . 26 GLU H . 11356 1 246 . 1 1 26 26 GLU HA H 1 5.290 0.030 . 1 . . . . 26 GLU HA . 11356 1 247 . 1 1 26 26 GLU HB2 H 1 2.507 0.030 . 2 . . . . 26 GLU HB2 . 11356 1 248 . 1 1 26 26 GLU HB3 H 1 2.331 0.030 . 2 . . . . 26 GLU HB3 . 11356 1 249 . 1 1 26 26 GLU HG2 H 1 2.389 0.030 . 1 . . . . 26 GLU HG2 . 11356 1 250 . 1 1 26 26 GLU HG3 H 1 2.389 0.030 . 1 . . . . 26 GLU HG3 . 11356 1 251 . 1 1 26 26 GLU C C 13 175.623 0.300 . 1 . . . . 26 GLU C . 11356 1 252 . 1 1 26 26 GLU CA C 13 54.826 0.300 . 1 . . . . 26 GLU CA . 11356 1 253 . 1 1 26 26 GLU CB C 13 32.825 0.300 . 1 . . . . 26 GLU CB . 11356 1 254 . 1 1 26 26 GLU CG C 13 36.334 0.300 . 1 . . . . 26 GLU CG . 11356 1 255 . 1 1 26 26 GLU N N 15 119.110 0.300 . 1 . . . . 26 GLU N . 11356 1 256 . 1 1 27 27 LEU H H 1 8.933 0.030 . 1 . . . . 27 LEU H . 11356 1 257 . 1 1 27 27 LEU HA H 1 4.485 0.030 . 1 . . . . 27 LEU HA . 11356 1 258 . 1 1 27 27 LEU HB2 H 1 1.630 0.030 . 2 . . . . 27 LEU HB2 . 11356 1 259 . 1 1 27 27 LEU HB3 H 1 1.140 0.030 . 2 . . . . 27 LEU HB3 . 11356 1 260 . 1 1 27 27 LEU HD11 H 1 0.789 0.030 . 1 . . . . 27 LEU HD1 . 11356 1 261 . 1 1 27 27 LEU HD12 H 1 0.789 0.030 . 1 . . . . 27 LEU HD1 . 11356 1 262 . 1 1 27 27 LEU HD13 H 1 0.789 0.030 . 1 . . . . 27 LEU HD1 . 11356 1 263 . 1 1 27 27 LEU HD21 H 1 0.708 0.030 . 1 . . . . 27 LEU HD2 . 11356 1 264 . 1 1 27 27 LEU HD22 H 1 0.708 0.030 . 1 . . . . 27 LEU HD2 . 11356 1 265 . 1 1 27 27 LEU HD23 H 1 0.708 0.030 . 1 . . . . 27 LEU HD2 . 11356 1 266 . 1 1 27 27 LEU HG H 1 1.412 0.030 . 1 . . . . 27 LEU HG . 11356 1 267 . 1 1 27 27 LEU C C 13 175.711 0.300 . 1 . . . . 27 LEU C . 11356 1 268 . 1 1 27 27 LEU CA C 13 53.636 0.300 . 1 . . . . 27 LEU CA . 11356 1 269 . 1 1 27 27 LEU CB C 13 45.641 0.300 . 1 . . . . 27 LEU CB . 11356 1 270 . 1 1 27 27 LEU CD1 C 13 24.864 0.300 . 2 . . . . 27 LEU CD1 . 11356 1 271 . 1 1 27 27 LEU CD2 C 13 23.847 0.300 . 2 . . . . 27 LEU CD2 . 11356 1 272 . 1 1 27 27 LEU CG C 13 26.497 0.300 . 1 . . . . 27 LEU CG . 11356 1 273 . 1 1 27 27 LEU N N 15 123.008 0.300 . 1 . . . . 27 LEU N . 11356 1 274 . 1 1 28 28 SER H H 1 7.827 0.030 . 1 . . . . 28 SER H . 11356 1 275 . 1 1 28 28 SER HA H 1 5.009 0.030 . 1 . . . . 28 SER HA . 11356 1 276 . 1 1 28 28 SER HB2 H 1 3.969 0.030 . 2 . . . . 28 SER HB2 . 11356 1 277 . 1 1 28 28 SER HB3 H 1 3.801 0.030 . 2 . . . . 28 SER HB3 . 11356 1 278 . 1 1 28 28 SER C C 13 174.682 0.300 . 1 . . . . 28 SER C . 11356 1 279 . 1 1 28 28 SER CA C 13 59.000 0.300 . 1 . . . . 28 SER CA . 11356 1 280 . 1 1 28 28 SER CB C 13 63.879 0.300 . 1 . . . . 28 SER CB . 11356 1 281 . 1 1 28 28 SER N N 15 116.351 0.300 . 1 . . . . 28 SER N . 11356 1 282 . 1 1 29 29 VAL H H 1 9.154 0.030 . 1 . . . . 29 VAL H . 11356 1 283 . 1 1 29 29 VAL HA H 1 4.506 0.030 . 1 . . . . 29 VAL HA . 11356 1 284 . 1 1 29 29 VAL HB H 1 1.841 0.030 . 1 . . . . 29 VAL HB . 11356 1 285 . 1 1 29 29 VAL HG11 H 1 0.687 0.030 . 1 . . . . 29 VAL HG1 . 11356 1 286 . 1 1 29 29 VAL HG12 H 1 0.687 0.030 . 1 . . . . 29 VAL HG1 . 11356 1 287 . 1 1 29 29 VAL HG13 H 1 0.687 0.030 . 1 . . . . 29 VAL HG1 . 11356 1 288 . 1 1 29 29 VAL HG21 H 1 0.823 0.030 . 1 . . . . 29 VAL HG2 . 11356 1 289 . 1 1 29 29 VAL HG22 H 1 0.823 0.030 . 1 . . . . 29 VAL HG2 . 11356 1 290 . 1 1 29 29 VAL HG23 H 1 0.823 0.030 . 1 . . . . 29 VAL HG2 . 11356 1 291 . 1 1 29 29 VAL C C 13 174.682 0.300 . 1 . . . . 29 VAL C . 11356 1 292 . 1 1 29 29 VAL CA C 13 60.009 0.300 . 1 . . . . 29 VAL CA . 11356 1 293 . 1 1 29 29 VAL CB C 13 36.042 0.300 . 1 . . . . 29 VAL CB . 11356 1 294 . 1 1 29 29 VAL CG1 C 13 22.559 0.300 . 2 . . . . 29 VAL CG1 . 11356 1 295 . 1 1 29 29 VAL CG2 C 13 20.532 0.300 . 2 . . . . 29 VAL CG2 . 11356 1 296 . 1 1 29 29 VAL N N 15 120.159 0.300 . 1 . . . . 29 VAL N . 11356 1 297 . 1 1 30 30 CYS H H 1 9.414 0.030 . 1 . . . . 30 CYS H . 11356 1 298 . 1 1 30 30 CYS HA H 1 4.981 0.030 . 1 . . . . 30 CYS HA . 11356 1 299 . 1 1 30 30 CYS HB2 H 1 2.790 0.030 . 2 . . . . 30 CYS HB2 . 11356 1 300 . 1 1 30 30 CYS HB3 H 1 2.700 0.030 . 2 . . . . 30 CYS HB3 . 11356 1 301 . 1 1 30 30 CYS C C 13 173.692 0.300 . 1 . . . . 30 CYS C . 11356 1 302 . 1 1 30 30 CYS CA C 13 56.522 0.300 . 1 . . . . 30 CYS CA . 11356 1 303 . 1 1 30 30 CYS CB C 13 29.552 0.300 . 1 . . . . 30 CYS CB . 11356 1 304 . 1 1 30 30 CYS N N 15 125.264 0.300 . 1 . . . . 30 CYS N . 11356 1 305 . 1 1 31 31 LYS H H 1 8.243 0.030 . 1 . . . . 31 LYS H . 11356 1 306 . 1 1 31 31 LYS HA H 1 3.131 0.030 . 1 . . . . 31 LYS HA . 11356 1 307 . 1 1 31 31 LYS HB2 H 1 1.550 0.030 . 2 . . . . 31 LYS HB2 . 11356 1 308 . 1 1 31 31 LYS HB3 H 1 1.319 0.030 . 2 . . . . 31 LYS HB3 . 11356 1 309 . 1 1 31 31 LYS HD2 H 1 1.563 0.030 . 1 . . . . 31 LYS HD2 . 11356 1 310 . 1 1 31 31 LYS HD3 H 1 1.563 0.030 . 1 . . . . 31 LYS HD3 . 11356 1 311 . 1 1 31 31 LYS HG2 H 1 1.042 0.030 . 1 . . . . 31 LYS HG2 . 11356 1 312 . 1 1 31 31 LYS HG3 H 1 1.042 0.030 . 1 . . . . 31 LYS HG3 . 11356 1 313 . 1 1 31 31 LYS C C 13 176.766 0.300 . 1 . . . . 31 LYS C . 11356 1 314 . 1 1 31 31 LYS CA C 13 58.746 0.300 . 1 . . . . 31 LYS CA . 11356 1 315 . 1 1 31 31 LYS CB C 13 32.399 0.300 . 1 . . . . 31 LYS CB . 11356 1 316 . 1 1 31 31 LYS CD C 13 29.610 0.300 . 1 . . . . 31 LYS CD . 11356 1 317 . 1 1 31 31 LYS CE C 13 41.949 0.300 . 1 . . . . 31 LYS CE . 11356 1 318 . 1 1 31 31 LYS CG C 13 24.585 0.300 . 1 . . . . 31 LYS CG . 11356 1 319 . 1 1 31 31 LYS N N 15 122.503 0.300 . 1 . . . . 31 LYS N . 11356 1 320 . 1 1 32 32 GLY H H 1 8.682 0.030 . 1 . . . . 32 GLY H . 11356 1 321 . 1 1 32 32 GLY HA2 H 1 4.415 0.030 . 2 . . . . 32 GLY HA2 . 11356 1 322 . 1 1 32 32 GLY HA3 H 1 3.271 0.030 . 2 . . . . 32 GLY HA3 . 11356 1 323 . 1 1 32 32 GLY C C 13 173.831 0.300 . 1 . . . . 32 GLY C . 11356 1 324 . 1 1 32 32 GLY CA C 13 44.873 0.300 . 1 . . . . 32 GLY CA . 11356 1 325 . 1 1 32 32 GLY N N 15 114.915 0.300 . 1 . . . . 32 GLY N . 11356 1 326 . 1 1 33 33 ASP H H 1 8.390 0.030 . 1 . . . . 33 ASP H . 11356 1 327 . 1 1 33 33 ASP HA H 1 4.408 0.030 . 1 . . . . 33 ASP HA . 11356 1 328 . 1 1 33 33 ASP HB2 H 1 2.620 0.030 . 2 . . . . 33 ASP HB2 . 11356 1 329 . 1 1 33 33 ASP HB3 H 1 2.369 0.030 . 2 . . . . 33 ASP HB3 . 11356 1 330 . 1 1 33 33 ASP C C 13 174.962 0.300 . 1 . . . . 33 ASP C . 11356 1 331 . 1 1 33 33 ASP CA C 13 55.560 0.300 . 1 . . . . 33 ASP CA . 11356 1 332 . 1 1 33 33 ASP CB C 13 41.880 0.300 . 1 . . . . 33 ASP CB . 11356 1 333 . 1 1 33 33 ASP N N 15 122.262 0.300 . 1 . . . . 33 ASP N . 11356 1 334 . 1 1 34 34 ILE H H 1 8.130 0.030 . 1 . . . . 34 ILE H . 11356 1 335 . 1 1 34 34 ILE HA H 1 4.671 0.030 . 1 . . . . 34 ILE HA . 11356 1 336 . 1 1 34 34 ILE HB H 1 1.736 0.030 . 1 . . . . 34 ILE HB . 11356 1 337 . 1 1 34 34 ILE HD11 H 1 0.721 0.030 . 1 . . . . 34 ILE HD1 . 11356 1 338 . 1 1 34 34 ILE HD12 H 1 0.721 0.030 . 1 . . . . 34 ILE HD1 . 11356 1 339 . 1 1 34 34 ILE HD13 H 1 0.721 0.030 . 1 . . . . 34 ILE HD1 . 11356 1 340 . 1 1 34 34 ILE HG12 H 1 1.104 0.030 . 1 . . . . 34 ILE HG12 . 11356 1 341 . 1 1 34 34 ILE HG13 H 1 1.104 0.030 . 1 . . . . 34 ILE HG13 . 11356 1 342 . 1 1 34 34 ILE HG21 H 1 0.563 0.030 . 1 . . . . 34 ILE HG2 . 11356 1 343 . 1 1 34 34 ILE HG22 H 1 0.563 0.030 . 1 . . . . 34 ILE HG2 . 11356 1 344 . 1 1 34 34 ILE HG23 H 1 0.563 0.030 . 1 . . . . 34 ILE HG2 . 11356 1 345 . 1 1 34 34 ILE C C 13 174.886 0.300 . 1 . . . . 34 ILE C . 11356 1 346 . 1 1 34 34 ILE CA C 13 59.418 0.300 . 1 . . . . 34 ILE CA . 11356 1 347 . 1 1 34 34 ILE CB C 13 37.632 0.300 . 1 . . . . 34 ILE CB . 11356 1 348 . 1 1 34 34 ILE CD1 C 13 11.695 0.300 . 1 . . . . 34 ILE CD1 . 11356 1 349 . 1 1 34 34 ILE CG1 C 13 27.315 0.300 . 1 . . . . 34 ILE CG1 . 11356 1 350 . 1 1 34 34 ILE CG2 C 13 17.301 0.300 . 1 . . . . 34 ILE CG2 . 11356 1 351 . 1 1 34 34 ILE N N 15 121.390 0.300 . 1 . . . . 34 ILE N . 11356 1 352 . 1 1 35 35 ILE H H 1 8.773 0.030 . 1 . . . . 35 ILE H . 11356 1 353 . 1 1 35 35 ILE HA H 1 4.239 0.030 . 1 . . . . 35 ILE HA . 11356 1 354 . 1 1 35 35 ILE HB H 1 1.101 0.030 . 1 . . . . 35 ILE HB . 11356 1 355 . 1 1 35 35 ILE HD11 H 1 0.022 0.030 . 1 . . . . 35 ILE HD1 . 11356 1 356 . 1 1 35 35 ILE HD12 H 1 0.022 0.030 . 1 . . . . 35 ILE HD1 . 11356 1 357 . 1 1 35 35 ILE HD13 H 1 0.022 0.030 . 1 . . . . 35 ILE HD1 . 11356 1 358 . 1 1 35 35 ILE HG12 H 1 0.451 0.030 . 2 . . . . 35 ILE HG12 . 11356 1 359 . 1 1 35 35 ILE HG13 H 1 1.148 0.030 . 2 . . . . 35 ILE HG13 . 11356 1 360 . 1 1 35 35 ILE HG21 H 1 0.414 0.030 . 1 . . . . 35 ILE HG2 . 11356 1 361 . 1 1 35 35 ILE HG22 H 1 0.414 0.030 . 1 . . . . 35 ILE HG2 . 11356 1 362 . 1 1 35 35 ILE HG23 H 1 0.414 0.030 . 1 . . . . 35 ILE HG2 . 11356 1 363 . 1 1 35 35 ILE C C 13 174.365 0.300 . 1 . . . . 35 ILE C . 11356 1 364 . 1 1 35 35 ILE CA C 13 60.055 0.300 . 1 . . . . 35 ILE CA . 11356 1 365 . 1 1 35 35 ILE CB C 13 41.339 0.300 . 1 . . . . 35 ILE CB . 11356 1 366 . 1 1 35 35 ILE CD1 C 13 14.734 0.300 . 1 . . . . 35 ILE CD1 . 11356 1 367 . 1 1 35 35 ILE CG1 C 13 28.446 0.300 . 1 . . . . 35 ILE CG1 . 11356 1 368 . 1 1 35 35 ILE CG2 C 13 18.352 0.300 . 1 . . . . 35 ILE CG2 . 11356 1 369 . 1 1 35 35 ILE N N 15 127.142 0.300 . 1 . . . . 35 ILE N . 11356 1 370 . 1 1 36 36 TYR H H 1 8.046 0.030 . 1 . . . . 36 TYR H . 11356 1 371 . 1 1 36 36 TYR HA H 1 4.604 0.030 . 1 . . . . 36 TYR HA . 11356 1 372 . 1 1 36 36 TYR HB2 H 1 2.909 0.030 . 2 . . . . 36 TYR HB2 . 11356 1 373 . 1 1 36 36 TYR HB3 H 1 2.740 0.030 . 2 . . . . 36 TYR HB3 . 11356 1 374 . 1 1 36 36 TYR HD1 H 1 6.975 0.030 . 1 . . . . 36 TYR HD1 . 11356 1 375 . 1 1 36 36 TYR HD2 H 1 6.975 0.030 . 1 . . . . 36 TYR HD2 . 11356 1 376 . 1 1 36 36 TYR HE1 H 1 6.677 0.030 . 1 . . . . 36 TYR HE1 . 11356 1 377 . 1 1 36 36 TYR HE2 H 1 6.677 0.030 . 1 . . . . 36 TYR HE2 . 11356 1 378 . 1 1 36 36 TYR C C 13 175.419 0.300 . 1 . . . . 36 TYR C . 11356 1 379 . 1 1 36 36 TYR CA C 13 56.966 0.300 . 1 . . . . 36 TYR CA . 11356 1 380 . 1 1 36 36 TYR CB C 13 37.844 0.300 . 1 . . . . 36 TYR CB . 11356 1 381 . 1 1 36 36 TYR CD1 C 13 132.960 0.300 . 1 . . . . 36 TYR CD1 . 11356 1 382 . 1 1 36 36 TYR CD2 C 13 132.960 0.300 . 1 . . . . 36 TYR CD2 . 11356 1 383 . 1 1 36 36 TYR CE1 C 13 117.846 0.300 . 1 . . . . 36 TYR CE1 . 11356 1 384 . 1 1 36 36 TYR CE2 C 13 117.846 0.300 . 1 . . . . 36 TYR CE2 . 11356 1 385 . 1 1 36 36 TYR N N 15 127.327 0.300 . 1 . . . . 36 TYR N . 11356 1 386 . 1 1 37 37 VAL H H 1 8.583 0.030 . 1 . . . . 37 VAL H . 11356 1 387 . 1 1 37 37 VAL HA H 1 4.141 0.030 . 1 . . . . 37 VAL HA . 11356 1 388 . 1 1 37 37 VAL HB H 1 2.010 0.030 . 1 . . . . 37 VAL HB . 11356 1 389 . 1 1 37 37 VAL HG11 H 1 1.152 0.030 . 1 . . . . 37 VAL HG1 . 11356 1 390 . 1 1 37 37 VAL HG12 H 1 1.152 0.030 . 1 . . . . 37 VAL HG1 . 11356 1 391 . 1 1 37 37 VAL HG13 H 1 1.152 0.030 . 1 . . . . 37 VAL HG1 . 11356 1 392 . 1 1 37 37 VAL HG21 H 1 0.790 0.030 . 1 . . . . 37 VAL HG2 . 11356 1 393 . 1 1 37 37 VAL HG22 H 1 0.790 0.030 . 1 . . . . 37 VAL HG2 . 11356 1 394 . 1 1 37 37 VAL HG23 H 1 0.790 0.030 . 1 . . . . 37 VAL HG2 . 11356 1 395 . 1 1 37 37 VAL C C 13 176.372 0.300 . 1 . . . . 37 VAL C . 11356 1 396 . 1 1 37 37 VAL CA C 13 65.048 0.300 . 1 . . . . 37 VAL CA . 11356 1 397 . 1 1 37 37 VAL CB C 13 32.086 0.300 . 1 . . . . 37 VAL CB . 11356 1 398 . 1 1 37 37 VAL CG1 C 13 25.030 0.300 . 2 . . . . 37 VAL CG1 . 11356 1 399 . 1 1 37 37 VAL CG2 C 13 22.097 0.300 . 2 . . . . 37 VAL CG2 . 11356 1 400 . 1 1 37 37 VAL N N 15 126.234 0.300 . 1 . . . . 37 VAL N . 11356 1 401 . 1 1 38 38 THR H H 1 9.562 0.030 . 1 . . . . 38 THR H . 11356 1 402 . 1 1 38 38 THR HA H 1 4.379 0.030 . 1 . . . . 38 THR HA . 11356 1 403 . 1 1 38 38 THR HB H 1 4.001 0.030 . 1 . . . . 38 THR HB . 11356 1 404 . 1 1 38 38 THR HG21 H 1 1.045 0.030 . 1 . . . . 38 THR HG2 . 11356 1 405 . 1 1 38 38 THR HG22 H 1 1.045 0.030 . 1 . . . . 38 THR HG2 . 11356 1 406 . 1 1 38 38 THR HG23 H 1 1.045 0.030 . 1 . . . . 38 THR HG2 . 11356 1 407 . 1 1 38 38 THR C C 13 176.372 0.300 . 1 . . . . 38 THR C . 11356 1 408 . 1 1 38 38 THR CA C 13 62.494 0.300 . 1 . . . . 38 THR CA . 11356 1 409 . 1 1 38 38 THR CB C 13 68.609 0.300 . 1 . . . . 38 THR CB . 11356 1 410 . 1 1 38 38 THR CG2 C 13 23.518 0.300 . 1 . . . . 38 THR CG2 . 11356 1 411 . 1 1 38 38 THR N N 15 121.855 0.300 . 1 . . . . 38 THR N . 11356 1 412 . 1 1 39 39 ARG H H 1 7.563 0.030 . 1 . . . . 39 ARG H . 11356 1 413 . 1 1 39 39 ARG HA H 1 4.374 0.030 . 1 . . . . 39 ARG HA . 11356 1 414 . 1 1 39 39 ARG HB2 H 1 1.700 0.030 . 2 . . . . 39 ARG HB2 . 11356 1 415 . 1 1 39 39 ARG HB3 H 1 1.398 0.030 . 2 . . . . 39 ARG HB3 . 11356 1 416 . 1 1 39 39 ARG HD2 H 1 2.932 0.030 . 2 . . . . 39 ARG HD2 . 11356 1 417 . 1 1 39 39 ARG HD3 H 1 3.119 0.030 . 2 . . . . 39 ARG HD3 . 11356 1 418 . 1 1 39 39 ARG HE H 1 7.539 0.030 . 1 . . . . 39 ARG HE . 11356 1 419 . 1 1 39 39 ARG HG2 H 1 1.452 0.030 . 2 . . . . 39 ARG HG2 . 11356 1 420 . 1 1 39 39 ARG HG3 H 1 1.503 0.030 . 2 . . . . 39 ARG HG3 . 11356 1 421 . 1 1 39 39 ARG C C 13 173.425 0.300 . 1 . . . . 39 ARG C . 11356 1 422 . 1 1 39 39 ARG CA C 13 56.760 0.300 . 1 . . . . 39 ARG CA . 11356 1 423 . 1 1 39 39 ARG CB C 13 33.985 0.300 . 1 . . . . 39 ARG CB . 11356 1 424 . 1 1 39 39 ARG CD C 13 44.111 0.300 . 1 . . . . 39 ARG CD . 11356 1 425 . 1 1 39 39 ARG CG C 13 26.842 0.300 . 1 . . . . 39 ARG CG . 11356 1 426 . 1 1 39 39 ARG N N 15 121.706 0.300 . 1 . . . . 39 ARG N . 11356 1 427 . 1 1 39 39 ARG NE N 15 114.708 0.300 . 1 . . . . 39 ARG NE . 11356 1 428 . 1 1 40 40 VAL H H 1 8.127 0.030 . 1 . . . . 40 VAL H . 11356 1 429 . 1 1 40 40 VAL HA H 1 2.784 0.030 . 1 . . . . 40 VAL HA . 11356 1 430 . 1 1 40 40 VAL HB H 1 1.388 0.030 . 1 . . . . 40 VAL HB . 11356 1 431 . 1 1 40 40 VAL HG11 H 1 0.167 0.030 . 1 . . . . 40 VAL HG1 . 11356 1 432 . 1 1 40 40 VAL HG12 H 1 0.167 0.030 . 1 . . . . 40 VAL HG1 . 11356 1 433 . 1 1 40 40 VAL HG13 H 1 0.167 0.030 . 1 . . . . 40 VAL HG1 . 11356 1 434 . 1 1 40 40 VAL HG21 H 1 -0.151 0.030 . 1 . . . . 40 VAL HG2 . 11356 1 435 . 1 1 40 40 VAL HG22 H 1 -0.151 0.030 . 1 . . . . 40 VAL HG2 . 11356 1 436 . 1 1 40 40 VAL HG23 H 1 -0.151 0.030 . 1 . . . . 40 VAL HG2 . 11356 1 437 . 1 1 40 40 VAL C C 13 175.254 0.300 . 1 . . . . 40 VAL C . 11356 1 438 . 1 1 40 40 VAL CA C 13 61.701 0.300 . 1 . . . . 40 VAL CA . 11356 1 439 . 1 1 40 40 VAL CB C 13 31.878 0.300 . 1 . . . . 40 VAL CB . 11356 1 440 . 1 1 40 40 VAL CG1 C 13 20.039 0.300 . 2 . . . . 40 VAL CG1 . 11356 1 441 . 1 1 40 40 VAL CG2 C 13 20.543 0.300 . 2 . . . . 40 VAL CG2 . 11356 1 442 . 1 1 40 40 VAL N N 15 125.163 0.300 . 1 . . . . 40 VAL N . 11356 1 443 . 1 1 41 41 GLU H H 1 6.791 0.030 . 1 . . . . 41 GLU H . 11356 1 444 . 1 1 41 41 GLU HA H 1 4.845 0.030 . 1 . . . . 41 GLU HA . 11356 1 445 . 1 1 41 41 GLU HB2 H 1 2.471 0.030 . 2 . . . . 41 GLU HB2 . 11356 1 446 . 1 1 41 41 GLU HB3 H 1 2.216 0.030 . 2 . . . . 41 GLU HB3 . 11356 1 447 . 1 1 41 41 GLU HG2 H 1 2.583 0.030 . 2 . . . . 41 GLU HG2 . 11356 1 448 . 1 1 41 41 GLU HG3 H 1 2.316 0.030 . 2 . . . . 41 GLU HG3 . 11356 1 449 . 1 1 41 41 GLU C C 13 176.334 0.300 . 1 . . . . 41 GLU C . 11356 1 450 . 1 1 41 41 GLU CA C 13 54.302 0.300 . 1 . . . . 41 GLU CA . 11356 1 451 . 1 1 41 41 GLU CB C 13 34.006 0.300 . 1 . . . . 41 GLU CB . 11356 1 452 . 1 1 41 41 GLU CG C 13 35.515 0.300 . 1 . . . . 41 GLU CG . 11356 1 453 . 1 1 41 41 GLU N N 15 124.360 0.300 . 1 . . . . 41 GLU N . 11356 1 454 . 1 1 42 42 GLU H H 1 8.959 0.030 . 1 . . . . 42 GLU H . 11356 1 455 . 1 1 42 42 GLU HA H 1 4.440 0.030 . 1 . . . . 42 GLU HA . 11356 1 456 . 1 1 42 42 GLU HB2 H 1 2.190 0.030 . 2 . . . . 42 GLU HB2 . 11356 1 457 . 1 1 42 42 GLU HB3 H 1 1.953 0.030 . 2 . . . . 42 GLU HB3 . 11356 1 458 . 1 1 42 42 GLU HG2 H 1 2.344 0.030 . 1 . . . . 42 GLU HG2 . 11356 1 459 . 1 1 42 42 GLU HG3 H 1 2.344 0.030 . 1 . . . . 42 GLU HG3 . 11356 1 460 . 1 1 42 42 GLU C C 13 177.808 0.300 . 1 . . . . 42 GLU C . 11356 1 461 . 1 1 42 42 GLU CA C 13 56.855 0.300 . 1 . . . . 42 GLU CA . 11356 1 462 . 1 1 42 42 GLU CB C 13 30.197 0.300 . 1 . . . . 42 GLU CB . 11356 1 463 . 1 1 42 42 GLU CG C 13 36.220 0.300 . 1 . . . . 42 GLU CG . 11356 1 464 . 1 1 42 42 GLU N N 15 120.645 0.300 . 1 . . . . 42 GLU N . 11356 1 465 . 1 1 43 43 GLY H H 1 8.856 0.030 . 1 . . . . 43 GLY H . 11356 1 466 . 1 1 43 43 GLY HA2 H 1 4.309 0.030 . 2 . . . . 43 GLY HA2 . 11356 1 467 . 1 1 43 43 GLY HA3 H 1 3.934 0.030 . 2 . . . . 43 GLY HA3 . 11356 1 468 . 1 1 43 43 GLY C C 13 175.356 0.300 . 1 . . . . 43 GLY C . 11356 1 469 . 1 1 43 43 GLY CA C 13 45.683 0.300 . 1 . . . . 43 GLY CA . 11356 1 470 . 1 1 43 43 GLY N N 15 110.072 0.300 . 1 . . . . 43 GLY N . 11356 1 471 . 1 1 44 44 GLY H H 1 8.592 0.030 . 1 . . . . 44 GLY H . 11356 1 472 . 1 1 44 44 GLY HA2 H 1 3.380 0.030 . 2 . . . . 44 GLY HA2 . 11356 1 473 . 1 1 44 44 GLY HA3 H 1 4.157 0.030 . 2 . . . . 44 GLY HA3 . 11356 1 474 . 1 1 44 44 GLY C C 13 174.289 0.300 . 1 . . . . 44 GLY C . 11356 1 475 . 1 1 44 44 GLY CA C 13 44.954 0.300 . 1 . . . . 44 GLY CA . 11356 1 476 . 1 1 44 44 GLY N N 15 108.004 0.300 . 1 . . . . 44 GLY N . 11356 1 477 . 1 1 45 45 TRP H H 1 8.100 0.030 . 1 . . . . 45 TRP H . 11356 1 478 . 1 1 45 45 TRP HA H 1 4.980 0.030 . 1 . . . . 45 TRP HA . 11356 1 479 . 1 1 45 45 TRP HB2 H 1 3.179 0.030 . 2 . . . . 45 TRP HB2 . 11356 1 480 . 1 1 45 45 TRP HB3 H 1 2.772 0.030 . 2 . . . . 45 TRP HB3 . 11356 1 481 . 1 1 45 45 TRP HD1 H 1 6.922 0.030 . 1 . . . . 45 TRP HD1 . 11356 1 482 . 1 1 45 45 TRP HE1 H 1 9.967 0.030 . 1 . . . . 45 TRP HE1 . 11356 1 483 . 1 1 45 45 TRP HE3 H 1 7.118 0.030 . 1 . . . . 45 TRP HE3 . 11356 1 484 . 1 1 45 45 TRP HH2 H 1 7.141 0.030 . 1 . . . . 45 TRP HH2 . 11356 1 485 . 1 1 45 45 TRP HZ2 H 1 7.315 0.030 . 1 . . . . 45 TRP HZ2 . 11356 1 486 . 1 1 45 45 TRP HZ3 H 1 6.672 0.030 . 1 . . . . 45 TRP HZ3 . 11356 1 487 . 1 1 45 45 TRP CA C 13 56.543 0.300 . 1 . . . . 45 TRP CA . 11356 1 488 . 1 1 45 45 TRP CB C 13 31.577 0.300 . 1 . . . . 45 TRP CB . 11356 1 489 . 1 1 45 45 TRP CD1 C 13 126.883 0.300 . 1 . . . . 45 TRP CD1 . 11356 1 490 . 1 1 45 45 TRP CE3 C 13 118.956 0.300 . 1 . . . . 45 TRP CE3 . 11356 1 491 . 1 1 45 45 TRP CH2 C 13 125.110 0.300 . 1 . . . . 45 TRP CH2 . 11356 1 492 . 1 1 45 45 TRP CZ2 C 13 114.476 0.300 . 1 . . . . 45 TRP CZ2 . 11356 1 493 . 1 1 45 45 TRP CZ3 C 13 120.850 0.300 . 1 . . . . 45 TRP CZ3 . 11356 1 494 . 1 1 45 45 TRP N N 15 121.517 0.300 . 1 . . . . 45 TRP N . 11356 1 495 . 1 1 45 45 TRP NE1 N 15 129.837 0.300 . 1 . . . . 45 TRP NE1 . 11356 1 496 . 1 1 46 46 TRP H H 1 8.641 0.030 . 1 . . . . 46 TRP H . 11356 1 497 . 1 1 46 46 TRP HA H 1 5.291 0.030 . 1 . . . . 46 TRP HA . 11356 1 498 . 1 1 46 46 TRP HB2 H 1 3.069 0.030 . 2 . . . . 46 TRP HB2 . 11356 1 499 . 1 1 46 46 TRP HB3 H 1 2.173 0.030 . 2 . . . . 46 TRP HB3 . 11356 1 500 . 1 1 46 46 TRP HD1 H 1 7.671 0.030 . 1 . . . . 46 TRP HD1 . 11356 1 501 . 1 1 46 46 TRP HE1 H 1 9.952 0.030 . 1 . . . . 46 TRP HE1 . 11356 1 502 . 1 1 46 46 TRP HE3 H 1 7.349 0.030 . 1 . . . . 46 TRP HE3 . 11356 1 503 . 1 1 46 46 TRP HH2 H 1 7.181 0.030 . 1 . . . . 46 TRP HH2 . 11356 1 504 . 1 1 46 46 TRP HZ2 H 1 7.450 0.030 . 1 . . . . 46 TRP HZ2 . 11356 1 505 . 1 1 46 46 TRP HZ3 H 1 6.872 0.030 . 1 . . . . 46 TRP HZ3 . 11356 1 506 . 1 1 46 46 TRP C C 13 172.320 0.300 . 1 . . . . 46 TRP C . 11356 1 507 . 1 1 46 46 TRP CA C 13 52.526 0.300 . 1 . . . . 46 TRP CA . 11356 1 508 . 1 1 46 46 TRP CB C 13 34.245 0.300 . 1 . . . . 46 TRP CB . 11356 1 509 . 1 1 46 46 TRP CD1 C 13 122.195 0.300 . 1 . . . . 46 TRP CD1 . 11356 1 510 . 1 1 46 46 TRP CE3 C 13 119.799 0.300 . 1 . . . . 46 TRP CE3 . 11356 1 511 . 1 1 46 46 TRP CH2 C 13 125.051 0.300 . 1 . . . . 46 TRP CH2 . 11356 1 512 . 1 1 46 46 TRP CZ2 C 13 115.193 0.300 . 1 . . . . 46 TRP CZ2 . 11356 1 513 . 1 1 46 46 TRP CZ3 C 13 121.521 0.300 . 1 . . . . 46 TRP CZ3 . 11356 1 514 . 1 1 46 46 TRP N N 15 123.662 0.300 . 1 . . . . 46 TRP N . 11356 1 515 . 1 1 46 46 TRP NE1 N 15 127.611 0.300 . 1 . . . . 46 TRP NE1 . 11356 1 516 . 1 1 47 47 GLU H H 1 8.314 0.030 . 1 . . . . 47 GLU H . 11356 1 517 . 1 1 47 47 GLU HA H 1 4.414 0.030 . 1 . . . . 47 GLU HA . 11356 1 518 . 1 1 47 47 GLU HB2 H 1 -0.673 0.030 . 2 . . . . 47 GLU HB2 . 11356 1 519 . 1 1 47 47 GLU HB3 H 1 1.272 0.030 . 2 . . . . 47 GLU HB3 . 11356 1 520 . 1 1 47 47 GLU HG2 H 1 0.549 0.030 . 2 . . . . 47 GLU HG2 . 11356 1 521 . 1 1 47 47 GLU HG3 H 1 1.521 0.030 . 2 . . . . 47 GLU HG3 . 11356 1 522 . 1 1 47 47 GLU C C 13 176.575 0.300 . 1 . . . . 47 GLU C . 11356 1 523 . 1 1 47 47 GLU CA C 13 53.132 0.300 . 1 . . . . 47 GLU CA . 11356 1 524 . 1 1 47 47 GLU CB C 13 32.553 0.300 . 1 . . . . 47 GLU CB . 11356 1 525 . 1 1 47 47 GLU CG C 13 36.684 0.300 . 1 . . . . 47 GLU CG . 11356 1 526 . 1 1 47 47 GLU N N 15 121.512 0.300 . 1 . . . . 47 GLU N . 11356 1 527 . 1 1 48 48 GLY H H 1 9.023 0.030 . 1 . . . . 48 GLY H . 11356 1 528 . 1 1 48 48 GLY HA2 H 1 4.977 0.030 . 2 . . . . 48 GLY HA2 . 11356 1 529 . 1 1 48 48 GLY HA3 H 1 3.950 0.030 . 2 . . . . 48 GLY HA3 . 11356 1 530 . 1 1 48 48 GLY C C 13 170.236 0.300 . 1 . . . . 48 GLY C . 11356 1 531 . 1 1 48 48 GLY CA C 13 46.800 0.300 . 1 . . . . 48 GLY CA . 11356 1 532 . 1 1 48 48 GLY N N 15 113.286 0.300 . 1 . . . . 48 GLY N . 11356 1 533 . 1 1 49 49 THR H H 1 9.110 0.030 . 1 . . . . 49 THR H . 11356 1 534 . 1 1 49 49 THR HA H 1 5.509 0.030 . 1 . . . . 49 THR HA . 11356 1 535 . 1 1 49 49 THR HB H 1 3.822 0.030 . 1 . . . . 49 THR HB . 11356 1 536 . 1 1 49 49 THR HG21 H 1 1.048 0.030 . 1 . . . . 49 THR HG2 . 11356 1 537 . 1 1 49 49 THR HG22 H 1 1.048 0.030 . 1 . . . . 49 THR HG2 . 11356 1 538 . 1 1 49 49 THR HG23 H 1 1.048 0.030 . 1 . . . . 49 THR HG2 . 11356 1 539 . 1 1 49 49 THR C C 13 173.183 0.300 . 1 . . . . 49 THR C . 11356 1 540 . 1 1 49 49 THR CA C 13 60.548 0.300 . 1 . . . . 49 THR CA . 11356 1 541 . 1 1 49 49 THR CB C 13 71.057 0.300 . 1 . . . . 49 THR CB . 11356 1 542 . 1 1 49 49 THR CG2 C 13 21.430 0.300 . 1 . . . . 49 THR CG2 . 11356 1 543 . 1 1 49 49 THR N N 15 114.251 0.300 . 1 . . . . 49 THR N . 11356 1 544 . 1 1 50 50 LEU H H 1 8.951 0.030 . 1 . . . . 50 LEU H . 11356 1 545 . 1 1 50 50 LEU HA H 1 4.718 0.030 . 1 . . . . 50 LEU HA . 11356 1 546 . 1 1 50 50 LEU HB2 H 1 1.781 0.030 . 2 . . . . 50 LEU HB2 . 11356 1 547 . 1 1 50 50 LEU HB3 H 1 1.359 0.030 . 2 . . . . 50 LEU HB3 . 11356 1 548 . 1 1 50 50 LEU HD11 H 1 0.921 0.030 . 1 . . . . 50 LEU HD1 . 11356 1 549 . 1 1 50 50 LEU HD12 H 1 0.921 0.030 . 1 . . . . 50 LEU HD1 . 11356 1 550 . 1 1 50 50 LEU HD13 H 1 0.921 0.030 . 1 . . . . 50 LEU HD1 . 11356 1 551 . 1 1 50 50 LEU HD21 H 1 0.904 0.030 . 1 . . . . 50 LEU HD2 . 11356 1 552 . 1 1 50 50 LEU HD22 H 1 0.904 0.030 . 1 . . . . 50 LEU HD2 . 11356 1 553 . 1 1 50 50 LEU HD23 H 1 0.904 0.030 . 1 . . . . 50 LEU HD2 . 11356 1 554 . 1 1 50 50 LEU HG H 1 1.444 0.030 . 1 . . . . 50 LEU HG . 11356 1 555 . 1 1 50 50 LEU C C 13 175.991 0.300 . 1 . . . . 50 LEU C . 11356 1 556 . 1 1 50 50 LEU CA C 13 54.302 0.300 . 1 . . . . 50 LEU CA . 11356 1 557 . 1 1 50 50 LEU CB C 13 46.603 0.300 . 1 . . . . 50 LEU CB . 11356 1 558 . 1 1 50 50 LEU CD1 C 13 26.744 0.300 . 2 . . . . 50 LEU CD1 . 11356 1 559 . 1 1 50 50 LEU CD2 C 13 23.695 0.300 . 2 . . . . 50 LEU CD2 . 11356 1 560 . 1 1 50 50 LEU CG C 13 27.941 0.300 . 1 . . . . 50 LEU CG . 11356 1 561 . 1 1 50 50 LEU N N 15 127.554 0.300 . 1 . . . . 50 LEU N . 11356 1 562 . 1 1 51 51 ASN H H 1 9.745 0.030 . 1 . . . . 51 ASN H . 11356 1 563 . 1 1 51 51 ASN HA H 1 4.379 0.030 . 1 . . . . 51 ASN HA . 11356 1 564 . 1 1 51 51 ASN HB2 H 1 3.025 0.030 . 2 . . . . 51 ASN HB2 . 11356 1 565 . 1 1 51 51 ASN HB3 H 1 2.739 0.030 . 2 . . . . 51 ASN HB3 . 11356 1 566 . 1 1 51 51 ASN HD21 H 1 7.739 0.030 . 2 . . . . 51 ASN HD21 . 11356 1 567 . 1 1 51 51 ASN HD22 H 1 7.130 0.030 . 2 . . . . 51 ASN HD22 . 11356 1 568 . 1 1 51 51 ASN C C 13 175.241 0.300 . 1 . . . . 51 ASN C . 11356 1 569 . 1 1 51 51 ASN CA C 13 54.220 0.300 . 1 . . . . 51 ASN CA . 11356 1 570 . 1 1 51 51 ASN CB C 13 37.452 0.300 . 1 . . . . 51 ASN CB . 11356 1 571 . 1 1 51 51 ASN N N 15 127.123 0.300 . 1 . . . . 51 ASN N . 11356 1 572 . 1 1 51 51 ASN ND2 N 15 114.274 0.300 . 1 . . . . 51 ASN ND2 . 11356 1 573 . 1 1 52 52 GLY H H 1 8.600 0.030 . 1 . . . . 52 GLY H . 11356 1 574 . 1 1 52 52 GLY HA2 H 1 4.114 0.030 . 2 . . . . 52 GLY HA2 . 11356 1 575 . 1 1 52 52 GLY HA3 H 1 3.521 0.030 . 2 . . . . 52 GLY HA3 . 11356 1 576 . 1 1 52 52 GLY C C 13 173.577 0.300 . 1 . . . . 52 GLY C . 11356 1 577 . 1 1 52 52 GLY CA C 13 45.472 0.300 . 1 . . . . 52 GLY CA . 11356 1 578 . 1 1 52 52 GLY N N 15 103.238 0.300 . 1 . . . . 52 GLY N . 11356 1 579 . 1 1 53 53 ARG H H 1 7.846 0.030 . 1 . . . . 53 ARG H . 11356 1 580 . 1 1 53 53 ARG HA H 1 4.678 0.030 . 1 . . . . 53 ARG HA . 11356 1 581 . 1 1 53 53 ARG HB2 H 1 1.797 0.030 . 1 . . . . 53 ARG HB2 . 11356 1 582 . 1 1 53 53 ARG HB3 H 1 1.797 0.030 . 1 . . . . 53 ARG HB3 . 11356 1 583 . 1 1 53 53 ARG HD2 H 1 3.310 0.030 . 2 . . . . 53 ARG HD2 . 11356 1 584 . 1 1 53 53 ARG HD3 H 1 3.243 0.030 . 2 . . . . 53 ARG HD3 . 11356 1 585 . 1 1 53 53 ARG HG2 H 1 1.695 0.030 . 2 . . . . 53 ARG HG2 . 11356 1 586 . 1 1 53 53 ARG HG3 H 1 1.514 0.030 . 2 . . . . 53 ARG HG3 . 11356 1 587 . 1 1 53 53 ARG C C 13 174.187 0.300 . 1 . . . . 53 ARG C . 11356 1 588 . 1 1 53 53 ARG CA C 13 54.887 0.300 . 1 . . . . 53 ARG CA . 11356 1 589 . 1 1 53 53 ARG CB C 13 32.587 0.300 . 1 . . . . 53 ARG CB . 11356 1 590 . 1 1 53 53 ARG CD C 13 43.412 0.300 . 1 . . . . 53 ARG CD . 11356 1 591 . 1 1 53 53 ARG CG C 13 28.031 0.300 . 1 . . . . 53 ARG CG . 11356 1 592 . 1 1 53 53 ARG N N 15 122.002 0.300 . 1 . . . . 53 ARG N . 11356 1 593 . 1 1 54 54 THR H H 1 8.581 0.030 . 1 . . . . 54 THR H . 11356 1 594 . 1 1 54 54 THR HA H 1 5.500 0.030 . 1 . . . . 54 THR HA . 11356 1 595 . 1 1 54 54 THR HB H 1 3.761 0.030 . 1 . . . . 54 THR HB . 11356 1 596 . 1 1 54 54 THR HG21 H 1 0.909 0.030 . 1 . . . . 54 THR HG2 . 11356 1 597 . 1 1 54 54 THR HG22 H 1 0.909 0.030 . 1 . . . . 54 THR HG2 . 11356 1 598 . 1 1 54 54 THR HG23 H 1 0.909 0.030 . 1 . . . . 54 THR HG2 . 11356 1 599 . 1 1 54 54 THR C C 13 174.390 0.300 . 1 . . . . 54 THR C . 11356 1 600 . 1 1 54 54 THR CA C 13 60.876 0.300 . 1 . . . . 54 THR CA . 11356 1 601 . 1 1 54 54 THR CB C 13 70.821 0.300 . 1 . . . . 54 THR CB . 11356 1 602 . 1 1 54 54 THR CG2 C 13 20.933 0.300 . 1 . . . . 54 THR CG2 . 11356 1 603 . 1 1 54 54 THR N N 15 119.855 0.300 . 1 . . . . 54 THR N . 11356 1 604 . 1 1 55 55 GLY H H 1 9.003 0.030 . 1 . . . . 55 GLY H . 11356 1 605 . 1 1 55 55 GLY HA2 H 1 4.336 0.030 . 2 . . . . 55 GLY HA2 . 11356 1 606 . 1 1 55 55 GLY HA3 H 1 3.848 0.030 . 2 . . . . 55 GLY HA3 . 11356 1 607 . 1 1 55 55 GLY C C 13 171.087 0.300 . 1 . . . . 55 GLY C . 11356 1 608 . 1 1 55 55 GLY CA C 13 45.749 0.300 . 1 . . . . 55 GLY CA . 11356 1 609 . 1 1 55 55 GLY N N 15 113.227 0.300 . 1 . . . . 55 GLY N . 11356 1 610 . 1 1 56 56 TRP H H 1 9.009 0.030 . 1 . . . . 56 TRP H . 11356 1 611 . 1 1 56 56 TRP HA H 1 5.656 0.030 . 1 . . . . 56 TRP HA . 11356 1 612 . 1 1 56 56 TRP HB2 H 1 3.281 0.030 . 2 . . . . 56 TRP HB2 . 11356 1 613 . 1 1 56 56 TRP HB3 H 1 2.891 0.030 . 2 . . . . 56 TRP HB3 . 11356 1 614 . 1 1 56 56 TRP HD1 H 1 7.520 0.030 . 1 . . . . 56 TRP HD1 . 11356 1 615 . 1 1 56 56 TRP HE1 H 1 9.973 0.030 . 1 . . . . 56 TRP HE1 . 11356 1 616 . 1 1 56 56 TRP HE3 H 1 7.260 0.030 . 1 . . . . 56 TRP HE3 . 11356 1 617 . 1 1 56 56 TRP HH2 H 1 6.840 0.030 . 1 . . . . 56 TRP HH2 . 11356 1 618 . 1 1 56 56 TRP HZ2 H 1 7.281 0.030 . 1 . . . . 56 TRP HZ2 . 11356 1 619 . 1 1 56 56 TRP HZ3 H 1 6.882 0.030 . 1 . . . . 56 TRP HZ3 . 11356 1 620 . 1 1 56 56 TRP C C 13 176.575 0.300 . 1 . . . . 56 TRP C . 11356 1 621 . 1 1 56 56 TRP CA C 13 57.127 0.300 . 1 . . . . 56 TRP CA . 11356 1 622 . 1 1 56 56 TRP CB C 13 31.350 0.300 . 1 . . . . 56 TRP CB . 11356 1 623 . 1 1 56 56 TRP CD1 C 13 128.426 0.300 . 1 . . . . 56 TRP CD1 . 11356 1 624 . 1 1 56 56 TRP CE3 C 13 120.788 0.300 . 1 . . . . 56 TRP CE3 . 11356 1 625 . 1 1 56 56 TRP CH2 C 13 123.286 0.300 . 1 . . . . 56 TRP CH2 . 11356 1 626 . 1 1 56 56 TRP CZ2 C 13 114.787 0.300 . 1 . . . . 56 TRP CZ2 . 11356 1 627 . 1 1 56 56 TRP CZ3 C 13 121.006 0.300 . 1 . . . . 56 TRP CZ3 . 11356 1 628 . 1 1 56 56 TRP N N 15 120.126 0.300 . 1 . . . . 56 TRP N . 11356 1 629 . 1 1 56 56 TRP NE1 N 15 130.424 0.300 . 1 . . . . 56 TRP NE1 . 11356 1 630 . 1 1 57 57 PHE H H 1 9.473 0.030 . 1 . . . . 57 PHE H . 11356 1 631 . 1 1 57 57 PHE HA H 1 5.130 0.030 . 1 . . . . 57 PHE HA . 11356 1 632 . 1 1 57 57 PHE HB2 H 1 3.087 0.030 . 2 . . . . 57 PHE HB2 . 11356 1 633 . 1 1 57 57 PHE HB3 H 1 2.569 0.030 . 2 . . . . 57 PHE HB3 . 11356 1 634 . 1 1 57 57 PHE HD1 H 1 6.909 0.030 . 1 . . . . 57 PHE HD1 . 11356 1 635 . 1 1 57 57 PHE HD2 H 1 6.909 0.030 . 1 . . . . 57 PHE HD2 . 11356 1 636 . 1 1 57 57 PHE HE1 H 1 6.832 0.030 . 1 . . . . 57 PHE HE1 . 11356 1 637 . 1 1 57 57 PHE HE2 H 1 6.832 0.030 . 1 . . . . 57 PHE HE2 . 11356 1 638 . 1 1 57 57 PHE HZ H 1 7.139 0.030 . 1 . . . . 57 PHE HZ . 11356 1 639 . 1 1 57 57 PHE C C 13 170.770 0.300 . 1 . . . . 57 PHE C . 11356 1 640 . 1 1 57 57 PHE CA C 13 54.968 0.300 . 1 . . . . 57 PHE CA . 11356 1 641 . 1 1 57 57 PHE CB C 13 38.862 0.300 . 1 . . . . 57 PHE CB . 11356 1 642 . 1 1 57 57 PHE CD1 C 13 133.758 0.300 . 1 . . . . 57 PHE CD1 . 11356 1 643 . 1 1 57 57 PHE CD2 C 13 133.758 0.300 . 1 . . . . 57 PHE CD2 . 11356 1 644 . 1 1 57 57 PHE CE1 C 13 129.936 0.300 . 1 . . . . 57 PHE CE1 . 11356 1 645 . 1 1 57 57 PHE CE2 C 13 129.936 0.300 . 1 . . . . 57 PHE CE2 . 11356 1 646 . 1 1 57 57 PHE CZ C 13 128.494 0.300 . 1 . . . . 57 PHE CZ . 11356 1 647 . 1 1 57 57 PHE N N 15 118.265 0.300 . 1 . . . . 57 PHE N . 11356 1 648 . 1 1 58 58 PRO HA H 1 4.605 0.030 . 1 . . . . 58 PRO HA . 11356 1 649 . 1 1 58 58 PRO HB2 H 1 2.335 0.030 . 2 . . . . 58 PRO HB2 . 11356 1 650 . 1 1 58 58 PRO HB3 H 1 2.110 0.030 . 2 . . . . 58 PRO HB3 . 11356 1 651 . 1 1 58 58 PRO HD2 H 1 3.512 0.030 . 2 . . . . 58 PRO HD2 . 11356 1 652 . 1 1 58 58 PRO HD3 H 1 3.453 0.030 . 2 . . . . 58 PRO HD3 . 11356 1 653 . 1 1 58 58 PRO HG2 H 1 1.864 0.030 . 2 . . . . 58 PRO HG2 . 11356 1 654 . 1 1 58 58 PRO HG3 H 1 1.784 0.030 . 2 . . . . 58 PRO HG3 . 11356 1 655 . 1 1 58 58 PRO CA C 13 62.503 0.300 . 1 . . . . 58 PRO CA . 11356 1 656 . 1 1 58 58 PRO CB C 13 34.693 0.300 . 1 . . . . 58 PRO CB . 11356 1 657 . 1 1 58 58 PRO CD C 13 50.320 0.300 . 1 . . . . 58 PRO CD . 11356 1 658 . 1 1 58 58 PRO CG C 13 24.712 0.300 . 1 . . . . 58 PRO CG . 11356 1 659 . 1 1 59 59 SER H H 1 7.977 0.030 . 1 . . . . 59 SER H . 11356 1 660 . 1 1 59 59 SER HA H 1 2.899 0.030 . 1 . . . . 59 SER HA . 11356 1 661 . 1 1 59 59 SER HB2 H 1 2.000 0.030 . 2 . . . . 59 SER HB2 . 11356 1 662 . 1 1 59 59 SER HB3 H 1 1.791 0.030 . 2 . . . . 59 SER HB3 . 11356 1 663 . 1 1 59 59 SER CA C 13 60.276 0.300 . 1 . . . . 59 SER CA . 11356 1 664 . 1 1 59 59 SER CB C 13 60.279 0.300 . 1 . . . . 59 SER CB . 11356 1 665 . 1 1 59 59 SER N N 15 122.221 0.300 . 1 . . . . 59 SER N . 11356 1 666 . 1 1 60 60 ASN H H 1 8.331 0.030 . 1 . . . . 60 ASN H . 11356 1 667 . 1 1 60 60 ASN HA H 1 4.564 0.030 . 1 . . . . 60 ASN HA . 11356 1 668 . 1 1 60 60 ASN HB2 H 1 2.799 0.030 . 2 . . . . 60 ASN HB2 . 11356 1 669 . 1 1 60 60 ASN HB3 H 1 2.599 0.030 . 2 . . . . 60 ASN HB3 . 11356 1 670 . 1 1 60 60 ASN C C 13 175.711 0.300 . 1 . . . . 60 ASN C . 11356 1 671 . 1 1 60 60 ASN CA C 13 53.573 0.300 . 1 . . . . 60 ASN CA . 11356 1 672 . 1 1 60 60 ASN CB C 13 36.664 0.300 . 1 . . . . 60 ASN CB . 11356 1 673 . 1 1 60 60 ASN N N 15 116.381 0.300 . 1 . . . . 60 ASN N . 11356 1 674 . 1 1 61 61 TYR H H 1 7.748 0.030 . 1 . . . . 61 TYR H . 11356 1 675 . 1 1 61 61 TYR HA H 1 4.633 0.030 . 1 . . . . 61 TYR HA . 11356 1 676 . 1 1 61 61 TYR HB2 H 1 3.270 0.030 . 2 . . . . 61 TYR HB2 . 11356 1 677 . 1 1 61 61 TYR HB3 H 1 3.204 0.030 . 2 . . . . 61 TYR HB3 . 11356 1 678 . 1 1 61 61 TYR HD1 H 1 6.760 0.030 . 1 . . . . 61 TYR HD1 . 11356 1 679 . 1 1 61 61 TYR HD2 H 1 6.760 0.030 . 1 . . . . 61 TYR HD2 . 11356 1 680 . 1 1 61 61 TYR HE1 H 1 6.889 0.030 . 1 . . . . 61 TYR HE1 . 11356 1 681 . 1 1 61 61 TYR HE2 H 1 6.889 0.030 . 1 . . . . 61 TYR HE2 . 11356 1 682 . 1 1 61 61 TYR C C 13 175.000 0.300 . 1 . . . . 61 TYR C . 11356 1 683 . 1 1 61 61 TYR CA C 13 57.380 0.300 . 1 . . . . 61 TYR CA . 11356 1 684 . 1 1 61 61 TYR CB C 13 37.056 0.300 . 1 . . . . 61 TYR CB . 11356 1 685 . 1 1 61 61 TYR CD1 C 13 131.370 0.300 . 1 . . . . 61 TYR CD1 . 11356 1 686 . 1 1 61 61 TYR CD2 C 13 131.370 0.300 . 1 . . . . 61 TYR CD2 . 11356 1 687 . 1 1 61 61 TYR CE1 C 13 118.441 0.300 . 1 . . . . 61 TYR CE1 . 11356 1 688 . 1 1 61 61 TYR CE2 C 13 118.441 0.300 . 1 . . . . 61 TYR CE2 . 11356 1 689 . 1 1 61 61 TYR N N 15 118.972 0.300 . 1 . . . . 61 TYR N . 11356 1 690 . 1 1 62 62 VAL H H 1 7.140 0.030 . 1 . . . . 62 VAL H . 11356 1 691 . 1 1 62 62 VAL HA H 1 5.129 0.030 . 1 . . . . 62 VAL HA . 11356 1 692 . 1 1 62 62 VAL HB H 1 1.758 0.030 . 1 . . . . 62 VAL HB . 11356 1 693 . 1 1 62 62 VAL HG11 H 1 0.807 0.030 . 1 . . . . 62 VAL HG1 . 11356 1 694 . 1 1 62 62 VAL HG12 H 1 0.807 0.030 . 1 . . . . 62 VAL HG1 . 11356 1 695 . 1 1 62 62 VAL HG13 H 1 0.807 0.030 . 1 . . . . 62 VAL HG1 . 11356 1 696 . 1 1 62 62 VAL HG21 H 1 0.540 0.030 . 1 . . . . 62 VAL HG2 . 11356 1 697 . 1 1 62 62 VAL HG22 H 1 0.540 0.030 . 1 . . . . 62 VAL HG2 . 11356 1 698 . 1 1 62 62 VAL HG23 H 1 0.540 0.030 . 1 . . . . 62 VAL HG2 . 11356 1 699 . 1 1 62 62 VAL CA C 13 58.567 0.300 . 1 . . . . 62 VAL CA . 11356 1 700 . 1 1 62 62 VAL CB C 13 35.669 0.300 . 1 . . . . 62 VAL CB . 11356 1 701 . 1 1 62 62 VAL CG1 C 13 18.086 0.300 . 2 . . . . 62 VAL CG1 . 11356 1 702 . 1 1 62 62 VAL CG2 C 13 20.778 0.300 . 2 . . . . 62 VAL CG2 . 11356 1 703 . 1 1 62 62 VAL N N 15 109.564 0.300 . 1 . . . . 62 VAL N . 11356 1 704 . 1 1 63 63 ARG HA H 1 4.692 0.030 . 1 . . . . 63 ARG HA . 11356 1 705 . 1 1 63 63 ARG HB2 H 1 1.698 0.030 . 2 . . . . 63 ARG HB2 . 11356 1 706 . 1 1 63 63 ARG HB3 H 1 1.632 0.030 . 2 . . . . 63 ARG HB3 . 11356 1 707 . 1 1 63 63 ARG HD2 H 1 3.115 0.030 . 1 . . . . 63 ARG HD2 . 11356 1 708 . 1 1 63 63 ARG HD3 H 1 3.115 0.030 . 1 . . . . 63 ARG HD3 . 11356 1 709 . 1 1 63 63 ARG HG2 H 1 1.482 0.030 . 2 . . . . 63 ARG HG2 . 11356 1 710 . 1 1 63 63 ARG HG3 H 1 1.513 0.030 . 2 . . . . 63 ARG HG3 . 11356 1 711 . 1 1 63 63 ARG CA C 13 54.153 0.300 . 1 . . . . 63 ARG CA . 11356 1 712 . 1 1 63 63 ARG CB C 13 33.828 0.300 . 1 . . . . 63 ARG CB . 11356 1 713 . 1 1 63 63 ARG CD C 13 43.447 0.300 . 1 . . . . 63 ARG CD . 11356 1 714 . 1 1 63 63 ARG CG C 13 26.469 0.300 . 1 . . . . 63 ARG CG . 11356 1 715 . 1 1 64 64 GLU H H 1 9.031 0.030 . 1 . . . . 64 GLU H . 11356 1 716 . 1 1 64 64 GLU HA H 1 4.369 0.030 . 1 . . . . 64 GLU HA . 11356 1 717 . 1 1 64 64 GLU HB2 H 1 1.953 0.030 . 1 . . . . 64 GLU HB2 . 11356 1 718 . 1 1 64 64 GLU HB3 H 1 1.953 0.030 . 1 . . . . 64 GLU HB3 . 11356 1 719 . 1 1 64 64 GLU HG2 H 1 2.228 0.030 . 2 . . . . 64 GLU HG2 . 11356 1 720 . 1 1 64 64 GLU HG3 H 1 2.405 0.030 . 2 . . . . 64 GLU HG3 . 11356 1 721 . 1 1 64 64 GLU C C 13 176.131 0.300 . 1 . . . . 64 GLU C . 11356 1 722 . 1 1 64 64 GLU CA C 13 57.705 0.300 . 1 . . . . 64 GLU CA . 11356 1 723 . 1 1 64 64 GLU CB C 13 30.169 0.300 . 1 . . . . 64 GLU CB . 11356 1 724 . 1 1 64 64 GLU CG C 13 36.357 0.300 . 1 . . . . 64 GLU CG . 11356 1 725 . 1 1 64 64 GLU N N 15 124.794 0.300 . 1 . . . . 64 GLU N . 11356 1 726 . 1 1 65 65 ILE H H 1 8.357 0.030 . 1 . . . . 65 ILE H . 11356 1 727 . 1 1 65 65 ILE HA H 1 4.239 0.030 . 1 . . . . 65 ILE HA . 11356 1 728 . 1 1 65 65 ILE HB H 1 1.721 0.030 . 1 . . . . 65 ILE HB . 11356 1 729 . 1 1 65 65 ILE HD11 H 1 0.697 0.030 . 1 . . . . 65 ILE HD1 . 11356 1 730 . 1 1 65 65 ILE HD12 H 1 0.697 0.030 . 1 . . . . 65 ILE HD1 . 11356 1 731 . 1 1 65 65 ILE HD13 H 1 0.697 0.030 . 1 . . . . 65 ILE HD1 . 11356 1 732 . 1 1 65 65 ILE HG12 H 1 1.299 0.030 . 2 . . . . 65 ILE HG12 . 11356 1 733 . 1 1 65 65 ILE HG13 H 1 0.924 0.030 . 2 . . . . 65 ILE HG13 . 11356 1 734 . 1 1 65 65 ILE HG21 H 1 0.782 0.030 . 1 . . . . 65 ILE HG2 . 11356 1 735 . 1 1 65 65 ILE HG22 H 1 0.782 0.030 . 1 . . . . 65 ILE HG2 . 11356 1 736 . 1 1 65 65 ILE HG23 H 1 0.782 0.030 . 1 . . . . 65 ILE HG2 . 11356 1 737 . 1 1 65 65 ILE C C 13 175.445 0.300 . 1 . . . . 65 ILE C . 11356 1 738 . 1 1 65 65 ILE CA C 13 60.739 0.300 . 1 . . . . 65 ILE CA . 11356 1 739 . 1 1 65 65 ILE CB C 13 39.162 0.300 . 1 . . . . 65 ILE CB . 11356 1 740 . 1 1 65 65 ILE CD1 C 13 13.810 0.300 . 1 . . . . 65 ILE CD1 . 11356 1 741 . 1 1 65 65 ILE CG1 C 13 26.915 0.300 . 1 . . . . 65 ILE CG1 . 11356 1 742 . 1 1 65 65 ILE CG2 C 13 17.888 0.300 . 1 . . . . 65 ILE CG2 . 11356 1 743 . 1 1 65 65 ILE N N 15 123.500 0.300 . 1 . . . . 65 ILE N . 11356 1 744 . 1 1 66 66 LYS H H 1 8.511 0.030 . 1 . . . . 66 LYS H . 11356 1 745 . 1 1 66 66 LYS HA H 1 4.410 0.030 . 1 . . . . 66 LYS HA . 11356 1 746 . 1 1 66 66 LYS HB2 H 1 1.850 0.030 . 2 . . . . 66 LYS HB2 . 11356 1 747 . 1 1 66 66 LYS HB3 H 1 1.673 0.030 . 2 . . . . 66 LYS HB3 . 11356 1 748 . 1 1 66 66 LYS HD2 H 1 1.606 0.030 . 1 . . . . 66 LYS HD2 . 11356 1 749 . 1 1 66 66 LYS HD3 H 1 1.606 0.030 . 1 . . . . 66 LYS HD3 . 11356 1 750 . 1 1 66 66 LYS HE2 H 1 3.015 0.030 . 2 . . . . 66 LYS HE2 . 11356 1 751 . 1 1 66 66 LYS HE3 H 1 2.868 0.030 . 2 . . . . 66 LYS HE3 . 11356 1 752 . 1 1 66 66 LYS HG2 H 1 1.399 0.030 . 2 . . . . 66 LYS HG2 . 11356 1 753 . 1 1 66 66 LYS HG3 H 1 1.366 0.030 . 2 . . . . 66 LYS HG3 . 11356 1 754 . 1 1 66 66 LYS C C 13 177.134 0.300 . 1 . . . . 66 LYS C . 11356 1 755 . 1 1 66 66 LYS CA C 13 55.782 0.300 . 1 . . . . 66 LYS CA . 11356 1 756 . 1 1 66 66 LYS CB C 13 33.402 0.300 . 1 . . . . 66 LYS CB . 11356 1 757 . 1 1 66 66 LYS CD C 13 28.993 0.300 . 1 . . . . 66 LYS CD . 11356 1 758 . 1 1 66 66 LYS CE C 13 41.937 0.300 . 1 . . . . 66 LYS CE . 11356 1 759 . 1 1 66 66 LYS CG C 13 24.890 0.300 . 1 . . . . 66 LYS CG . 11356 1 760 . 1 1 66 66 LYS N N 15 124.751 0.300 . 1 . . . . 66 LYS N . 11356 1 761 . 1 1 67 67 SER H H 1 8.557 0.030 . 1 . . . . 67 SER H . 11356 1 762 . 1 1 67 67 SER HA H 1 4.293 0.030 . 1 . . . . 67 SER HA . 11356 1 763 . 1 1 67 67 SER HB2 H 1 3.878 0.030 . 2 . . . . 67 SER HB2 . 11356 1 764 . 1 1 67 67 SER HB3 H 1 3.815 0.030 . 2 . . . . 67 SER HB3 . 11356 1 765 . 1 1 67 67 SER C C 13 175.165 0.300 . 1 . . . . 67 SER C . 11356 1 766 . 1 1 67 67 SER CA C 13 59.270 0.300 . 1 . . . . 67 SER CA . 11356 1 767 . 1 1 67 67 SER CB C 13 63.431 0.300 . 1 . . . . 67 SER CB . 11356 1 768 . 1 1 67 67 SER N N 15 117.617 0.300 . 1 . . . . 67 SER N . 11356 1 769 . 1 1 68 68 SER H H 1 8.265 0.030 . 1 . . . . 68 SER H . 11356 1 770 . 1 1 68 68 SER HA H 1 4.352 0.030 . 1 . . . . 68 SER HA . 11356 1 771 . 1 1 68 68 SER HB2 H 1 3.889 0.030 . 2 . . . . 68 SER HB2 . 11356 1 772 . 1 1 68 68 SER HB3 H 1 3.774 0.030 . 2 . . . . 68 SER HB3 . 11356 1 773 . 1 1 68 68 SER C C 13 174.670 0.300 . 1 . . . . 68 SER C . 11356 1 774 . 1 1 68 68 SER CA C 13 58.714 0.300 . 1 . . . . 68 SER CA . 11356 1 775 . 1 1 68 68 SER CB C 13 63.431 0.300 . 1 . . . . 68 SER CB . 11356 1 776 . 1 1 68 68 SER N N 15 116.599 0.300 . 1 . . . . 68 SER N . 11356 1 777 . 1 1 69 69 GLU H H 1 8.158 0.030 . 1 . . . . 69 GLU H . 11356 1 778 . 1 1 69 69 GLU HA H 1 4.250 0.030 . 1 . . . . 69 GLU HA . 11356 1 779 . 1 1 69 69 GLU HB2 H 1 2.011 0.030 . 2 . . . . 69 GLU HB2 . 11356 1 780 . 1 1 69 69 GLU HB3 H 1 1.958 0.030 . 2 . . . . 69 GLU HB3 . 11356 1 781 . 1 1 69 69 GLU HG2 H 1 2.187 0.030 . 1 . . . . 69 GLU HG2 . 11356 1 782 . 1 1 69 69 GLU HG3 H 1 2.187 0.030 . 1 . . . . 69 GLU HG3 . 11356 1 783 . 1 1 69 69 GLU C C 13 176.385 0.300 . 1 . . . . 69 GLU C . 11356 1 784 . 1 1 69 69 GLU CA C 13 56.606 0.300 . 1 . . . . 69 GLU CA . 11356 1 785 . 1 1 69 69 GLU CB C 13 30.192 0.300 . 1 . . . . 69 GLU CB . 11356 1 786 . 1 1 69 69 GLU CG C 13 36.188 0.300 . 1 . . . . 69 GLU CG . 11356 1 787 . 1 1 69 69 GLU N N 15 122.248 0.300 . 1 . . . . 69 GLU N . 11356 1 788 . 1 1 70 70 ARG H H 1 8.105 0.030 . 1 . . . . 70 ARG H . 11356 1 789 . 1 1 70 70 ARG HA H 1 4.297 0.030 . 1 . . . . 70 ARG HA . 11356 1 790 . 1 1 70 70 ARG HB2 H 1 1.700 0.030 . 2 . . . . 70 ARG HB2 . 11356 1 791 . 1 1 70 70 ARG HB3 H 1 1.819 0.030 . 2 . . . . 70 ARG HB3 . 11356 1 792 . 1 1 70 70 ARG HD2 H 1 3.111 0.030 . 1 . . . . 70 ARG HD2 . 11356 1 793 . 1 1 70 70 ARG HD3 H 1 3.111 0.030 . 1 . . . . 70 ARG HD3 . 11356 1 794 . 1 1 70 70 ARG HG2 H 1 1.592 0.030 . 2 . . . . 70 ARG HG2 . 11356 1 795 . 1 1 70 70 ARG HG3 H 1 1.542 0.030 . 2 . . . . 70 ARG HG3 . 11356 1 796 . 1 1 70 70 ARG C C 13 176.118 0.300 . 1 . . . . 70 ARG C . 11356 1 797 . 1 1 70 70 ARG CA C 13 56.152 0.300 . 1 . . . . 70 ARG CA . 11356 1 798 . 1 1 70 70 ARG CB C 13 30.760 0.300 . 1 . . . . 70 ARG CB . 11356 1 799 . 1 1 70 70 ARG CD C 13 43.272 0.300 . 1 . . . . 70 ARG CD . 11356 1 800 . 1 1 70 70 ARG CG C 13 27.076 0.300 . 1 . . . . 70 ARG CG . 11356 1 801 . 1 1 70 70 ARG N N 15 121.249 0.300 . 1 . . . . 70 ARG N . 11356 1 802 . 1 1 71 71 SER H H 1 8.288 0.030 . 1 . . . . 71 SER H . 11356 1 803 . 1 1 71 71 SER HA H 1 4.456 0.030 . 1 . . . . 71 SER HA . 11356 1 804 . 1 1 71 71 SER HB2 H 1 3.821 0.030 . 1 . . . . 71 SER HB2 . 11356 1 805 . 1 1 71 71 SER HB3 H 1 3.821 0.030 . 1 . . . . 71 SER HB3 . 11356 1 806 . 1 1 71 71 SER C C 13 174.416 0.300 . 1 . . . . 71 SER C . 11356 1 807 . 1 1 71 71 SER CA C 13 58.260 0.300 . 1 . . . . 71 SER CA . 11356 1 808 . 1 1 71 71 SER CB C 13 63.825 0.300 . 1 . . . . 71 SER CB . 11356 1 809 . 1 1 71 71 SER N N 15 116.952 0.300 . 1 . . . . 71 SER N . 11356 1 810 . 1 1 72 72 GLY H H 1 8.207 0.030 . 1 . . . . 72 GLY H . 11356 1 811 . 1 1 72 72 GLY HA2 H 1 4.066 0.030 . 1 . . . . 72 GLY HA2 . 11356 1 812 . 1 1 72 72 GLY HA3 H 1 4.066 0.030 . 1 . . . . 72 GLY HA3 . 11356 1 813 . 1 1 72 72 GLY C C 13 171.773 0.300 . 1 . . . . 72 GLY C . 11356 1 814 . 1 1 72 72 GLY CA C 13 44.630 0.300 . 1 . . . . 72 GLY CA . 11356 1 815 . 1 1 72 72 GLY N N 15 110.694 0.300 . 1 . . . . 72 GLY N . 11356 1 816 . 1 1 73 73 PRO HA H 1 4.414 0.030 . 1 . . . . 73 PRO HA . 11356 1 817 . 1 1 73 73 PRO HB2 H 1 2.229 0.030 . 2 . . . . 73 PRO HB2 . 11356 1 818 . 1 1 73 73 PRO HB3 H 1 1.910 0.030 . 2 . . . . 73 PRO HB3 . 11356 1 819 . 1 1 73 73 PRO HD2 H 1 3.550 0.030 . 1 . . . . 73 PRO HD2 . 11356 1 820 . 1 1 73 73 PRO HD3 H 1 3.550 0.030 . 1 . . . . 73 PRO HD3 . 11356 1 821 . 1 1 73 73 PRO HG2 H 1 1.944 0.030 . 1 . . . . 73 PRO HG2 . 11356 1 822 . 1 1 73 73 PRO HG3 H 1 1.944 0.030 . 1 . . . . 73 PRO HG3 . 11356 1 823 . 1 1 73 73 PRO CA C 13 63.243 0.300 . 1 . . . . 73 PRO CA . 11356 1 824 . 1 1 73 73 PRO CB C 13 32.181 0.300 . 1 . . . . 73 PRO CB . 11356 1 825 . 1 1 73 73 PRO CD C 13 49.756 0.300 . 1 . . . . 73 PRO CD . 11356 1 826 . 1 1 73 73 PRO CG C 13 27.104 0.300 . 1 . . . . 73 PRO CG . 11356 1 827 . 1 1 74 74 SER H H 1 8.501 0.030 . 1 . . . . 74 SER H . 11356 1 828 . 1 1 74 74 SER HA H 1 4.423 0.030 . 1 . . . . 74 SER HA . 11356 1 829 . 1 1 74 74 SER HB2 H 1 3.835 0.030 . 1 . . . . 74 SER HB2 . 11356 1 830 . 1 1 74 74 SER HB3 H 1 3.835 0.030 . 1 . . . . 74 SER HB3 . 11356 1 831 . 1 1 74 74 SER CA C 13 62.938 0.300 . 1 . . . . 74 SER CA . 11356 1 832 . 1 1 74 74 SER CB C 13 63.461 0.300 . 1 . . . . 74 SER CB . 11356 1 833 . 1 1 74 74 SER N N 15 116.361 0.300 . 1 . . . . 74 SER N . 11356 1 stop_ save_