data_18086 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18086 _Entry.Title ; GhoS (YjdK) monomer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-16 _Entry.Accession_date 2011-11-16 _Entry.Last_release_date 2012-09-04 _Entry.Original_release_date 2012-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Dana Lord . . . 18086 2 Wolfgang Peti . . . 18086 3 Rebecca Page . . . 18086 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18086 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 18086 '15N chemical shifts' 103 18086 '1H chemical shifts' 712 18086 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 . . 2012-09-04 2011-11-16 original author . 18086 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LLZ 'BMRB Entry Tracking System' 18086 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18086 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22941047 _Citation.Full_citation . _Citation.Title 'A new type V toxin-antitoxin system where mRNA for toxin GhoT is cleaved by antitoxin GhoS' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _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 2012 _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 X. Wang . . . 18086 1 2 D. Lord . M. . 18086 1 3 H. Cheng . Y. . 18086 1 4 D. Osbourne . O. . 18086 1 5 S. Hong . H. . 18086 1 6 V. Sanchez-Torres . . . 18086 1 7 C. Quiroga . . . 18086 1 8 K. Zheng . . . 18086 1 9 T. Herrmann . . . 18086 1 10 W. Peti . . . 18086 1 11 M. Benedik . J. . 18086 1 12 R. Page . . . 18086 1 13 T. Wood . K. . 18086 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18086 _Assembly.ID 1 _Assembly.Name YjdK _Assembly.BMRB_code . _Assembly.Number_of_components . _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 YjdK 1 $YjdK A . yes native no no . . . 18086 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YjdK _Entity.Sf_category entity _Entity.Sf_framecode YjdK _Entity.Entry_ID 18086 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YjdK _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMEGKNKFNTYVVSFDYPS SYSSVFLRLRSLMYDMNFSS IVADEYGIPRQLNENSFAIT TSLAASEIEDLIRLKCLDLP DIDFDLNIMTVDDYFRQFYK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-100 _Entity.Polymer_author_seq_details 'G(1) and H(2) are cloning artifacts.' _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 100 _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 2015-11-25 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 2LLZ . "Ghos (yjdk) Monomer" . . . . . 100.00 100 100.00 100.00 1.77e-65 . . . . 18086 1 2 no DBJ BAB38533 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 3 no DBJ BAE78130 . "hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 4 no DBJ BAG79950 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 5 no DBJ BAI28383 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 6 no DBJ BAI33567 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 7 no EMBL CAP78600 . "Uncharacterized protein yjdK [Escherichia coli LF82]" . . . . . 98.00 98 98.98 100.00 2.54e-62 . . . . 18086 1 8 no EMBL CAQ34477 . "predicted protein [Escherichia coli BL21(DE3)]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 9 no EMBL CAR01103 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 10 no EMBL CAR05785 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 98.00 98 98.98 100.00 2.54e-62 . . . . 18086 1 11 no EMBL CAR10820 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 98.00 98 98.98 100.00 2.54e-62 . . . . 18086 1 12 no GB AAA97028 . "ORF_o98 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 13 no GB AAC77089 . "antitoxin of GhoTS toxin-antitoxin pair; endonuclease for ghoT mRNA [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 14 no GB AAG59327 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 15 no GB AAZ90798 . "conserved hypothetical protein [Shigella sonnei Ss046]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 16 no GB ABE10131 . "hypothetical protein UTI89_C4723 [Escherichia coli UTI89]" . . . . . 98.00 98 98.98 100.00 2.54e-62 . . . . 18086 1 17 no REF NP_313137 . "hypothetical protein ECs5110 [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 18 no REF NP_418552 . "antitoxin of GhoTS toxin-antitoxin pair; endonuclease for ghoT mRNA [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 19 no REF WP_000272165 . "MULTISPECIES: hypothetical protein [Proteobacteria]" . . . . . 68.00 68 100.00 100.00 3.81e-40 . . . . 18086 1 20 no REF WP_000272166 . "MULTISPECIES: hypothetical protein [Shigella]" . . . . . 68.00 68 98.53 98.53 2.24e-39 . . . . 18086 1 21 no REF WP_000272167 . "MULTISPECIES: hypothetical protein [Enterobacteriaceae]" . . . . . 68.00 68 98.53 100.00 2.10e-39 . . . . 18086 1 22 no SP P0AF61 . "RecName: Full=Endoribonuclease GhoS; AltName: Full=Antitoxin GhoS" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 1 23 no SP P0AF62 . "RecName: Full=Endoribonuclease GhoS; AltName: Full=Antitoxin GhoS" . . . . . 98.00 98 100.00 100.00 4.63e-63 . . . . 18086 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 . 18086 1 2 . HIS . 18086 1 3 . MET . 18086 1 4 . GLU . 18086 1 5 . GLY . 18086 1 6 . LYS . 18086 1 7 . ASN . 18086 1 8 . LYS . 18086 1 9 . PHE . 18086 1 10 . ASN . 18086 1 11 . THR . 18086 1 12 . TYR . 18086 1 13 . VAL . 18086 1 14 . VAL . 18086 1 15 . SER . 18086 1 16 . PHE . 18086 1 17 . ASP . 18086 1 18 . TYR . 18086 1 19 . PRO . 18086 1 20 . SER . 18086 1 21 . SER . 18086 1 22 . TYR . 18086 1 23 . SER . 18086 1 24 . SER . 18086 1 25 . VAL . 18086 1 26 . PHE . 18086 1 27 . LEU . 18086 1 28 . ARG . 18086 1 29 . LEU . 18086 1 30 . ARG . 18086 1 31 . SER . 18086 1 32 . LEU . 18086 1 33 . MET . 18086 1 34 . TYR . 18086 1 35 . ASP . 18086 1 36 . MET . 18086 1 37 . ASN . 18086 1 38 . PHE . 18086 1 39 . SER . 18086 1 40 . SER . 18086 1 41 . ILE . 18086 1 42 . VAL . 18086 1 43 . ALA . 18086 1 44 . ASP . 18086 1 45 . GLU . 18086 1 46 . TYR . 18086 1 47 . GLY . 18086 1 48 . ILE . 18086 1 49 . PRO . 18086 1 50 . ARG . 18086 1 51 . GLN . 18086 1 52 . LEU . 18086 1 53 . ASN . 18086 1 54 . GLU . 18086 1 55 . ASN . 18086 1 56 . SER . 18086 1 57 . PHE . 18086 1 58 . ALA . 18086 1 59 . ILE . 18086 1 60 . THR . 18086 1 61 . THR . 18086 1 62 . SER . 18086 1 63 . LEU . 18086 1 64 . ALA . 18086 1 65 . ALA . 18086 1 66 . SER . 18086 1 67 . GLU . 18086 1 68 . ILE . 18086 1 69 . GLU . 18086 1 70 . ASP . 18086 1 71 . LEU . 18086 1 72 . ILE . 18086 1 73 . ARG . 18086 1 74 . LEU . 18086 1 75 . LYS . 18086 1 76 . CYS . 18086 1 77 . LEU . 18086 1 78 . ASP . 18086 1 79 . LEU . 18086 1 80 . PRO . 18086 1 81 . ASP . 18086 1 82 . ILE . 18086 1 83 . ASP . 18086 1 84 . PHE . 18086 1 85 . ASP . 18086 1 86 . LEU . 18086 1 87 . ASN . 18086 1 88 . ILE . 18086 1 89 . MET . 18086 1 90 . THR . 18086 1 91 . VAL . 18086 1 92 . ASP . 18086 1 93 . ASP . 18086 1 94 . TYR . 18086 1 95 . PHE . 18086 1 96 . ARG . 18086 1 97 . GLN . 18086 1 98 . PHE . 18086 1 99 . TYR . 18086 1 100 . LYS . 18086 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 18086 1 . HIS 2 2 18086 1 . MET 3 3 18086 1 . GLU 4 4 18086 1 . GLY 5 5 18086 1 . LYS 6 6 18086 1 . ASN 7 7 18086 1 . LYS 8 8 18086 1 . PHE 9 9 18086 1 . ASN 10 10 18086 1 . THR 11 11 18086 1 . TYR 12 12 18086 1 . VAL 13 13 18086 1 . VAL 14 14 18086 1 . SER 15 15 18086 1 . PHE 16 16 18086 1 . ASP 17 17 18086 1 . TYR 18 18 18086 1 . PRO 19 19 18086 1 . SER 20 20 18086 1 . SER 21 21 18086 1 . TYR 22 22 18086 1 . SER 23 23 18086 1 . SER 24 24 18086 1 . VAL 25 25 18086 1 . PHE 26 26 18086 1 . LEU 27 27 18086 1 . ARG 28 28 18086 1 . LEU 29 29 18086 1 . ARG 30 30 18086 1 . SER 31 31 18086 1 . LEU 32 32 18086 1 . MET 33 33 18086 1 . TYR 34 34 18086 1 . ASP 35 35 18086 1 . MET 36 36 18086 1 . ASN 37 37 18086 1 . PHE 38 38 18086 1 . SER 39 39 18086 1 . SER 40 40 18086 1 . ILE 41 41 18086 1 . VAL 42 42 18086 1 . ALA 43 43 18086 1 . ASP 44 44 18086 1 . GLU 45 45 18086 1 . TYR 46 46 18086 1 . GLY 47 47 18086 1 . ILE 48 48 18086 1 . PRO 49 49 18086 1 . ARG 50 50 18086 1 . GLN 51 51 18086 1 . LEU 52 52 18086 1 . ASN 53 53 18086 1 . GLU 54 54 18086 1 . ASN 55 55 18086 1 . SER 56 56 18086 1 . PHE 57 57 18086 1 . ALA 58 58 18086 1 . ILE 59 59 18086 1 . THR 60 60 18086 1 . THR 61 61 18086 1 . SER 62 62 18086 1 . LEU 63 63 18086 1 . ALA 64 64 18086 1 . ALA 65 65 18086 1 . SER 66 66 18086 1 . GLU 67 67 18086 1 . ILE 68 68 18086 1 . GLU 69 69 18086 1 . ASP 70 70 18086 1 . LEU 71 71 18086 1 . ILE 72 72 18086 1 . ARG 73 73 18086 1 . LEU 74 74 18086 1 . LYS 75 75 18086 1 . CYS 76 76 18086 1 . LEU 77 77 18086 1 . ASP 78 78 18086 1 . LEU 79 79 18086 1 . PRO 80 80 18086 1 . ASP 81 81 18086 1 . ILE 82 82 18086 1 . ASP 83 83 18086 1 . PHE 84 84 18086 1 . ASP 85 85 18086 1 . LEU 86 86 18086 1 . ASN 87 87 18086 1 . ILE 88 88 18086 1 . MET 89 89 18086 1 . THR 90 90 18086 1 . VAL 91 91 18086 1 . ASP 92 92 18086 1 . ASP 93 93 18086 1 . TYR 94 94 18086 1 . PHE 95 95 18086 1 . ARG 96 96 18086 1 . GLN 97 97 18086 1 . PHE 98 98 18086 1 . TYR 99 99 18086 1 . LYS 100 100 18086 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 18086 _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 $YjdK . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18086 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 18086 _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 $YjdK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . RP1B . . . . . . 18086 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N-yjdK _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N-yjdK _Sample.Entry_ID 18086 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 YjdK '[U-99% 13C; U-99% 15N]' . . 1 $YjdK . . 1.14 . . mM . . . . 18086 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18086 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18086 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18086 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18086 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18086 1 stop_ save_ save_yjdk_sample _Sample.Sf_category sample _Sample.Sf_framecode yjdk_sample _Sample.Entry_ID 18086 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 YjdK 'natural abundance' . . 1 $YjdK . . 1.76 . . mM . . . . 18086 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18086 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18086 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18086 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18086 2 stop_ save_ save_15N-yjdK _Sample.Sf_category sample _Sample.Sf_framecode 15N-yjdK _Sample.Entry_ID 18086 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 YjdK '[U-99% 15N]' . . 1 $YjdK . . 1.42 . . mM . . . . 18086 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18086 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18086 3 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18086 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18086 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18086 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18086 _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 . mM 18086 1 pH 6.0 . pH 18086 1 pressure 1 . atm 18086 1 temperature 298 . K 18086 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18086 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18086 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18086 1 processing 18086 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18086 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18086 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18086 2 'peak picking' 18086 2 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 18086 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18086 _NMR_spectrometer.ID 2 _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 18086 _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 . 500 . . . 18086 1 2 spectrometer_2 Bruker Avance . 800 . . . 18086 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 18086 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 3 '3D HNCA' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 4 '3D HNCACB' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18086 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C_15N-yjdK isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18086 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $yjdk_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $yjdk_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 13 '2D 1H-1H COSY' no . . . . . . . . . . 2 $yjdk_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18086 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18086 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 18086 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18086 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18086 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18086 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.6 _Assigned_chem_shift_list.Chem_shift_15N_err 0.14 _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 '2D 1H-15N HSQC' . . . 18086 1 3 '3D HNCA' . . . 18086 1 4 '3D HNCACB' . . . 18086 1 5 '3D CBCA(CO)NH' . . . 18086 1 6 '3D C(CO)NH' . . . 18086 1 7 '3D HBHA(CO)NH' . . . 18086 1 8 '3D HCCH-TOCSY' . . . 18086 1 9 '3D 1H-15N NOESY' . . . 18086 1 11 '2D 1H-1H TOCSY' . . . 18086 1 12 '2D 1H-1H NOESY' . . . 18086 1 13 '2D 1H-1H COSY' . . . 18086 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HA H 1 4.637 0.025 . 1 . . . . 2 HIS HA . 18086 1 2 . 1 1 2 2 HIS HB2 H 1 3.089 0.025 . 1 . . . . 2 HIS HB2 . 18086 1 3 . 1 1 2 2 HIS HB3 H 1 3.089 0.025 . 1 . . . . 2 HIS HB3 . 18086 1 4 . 1 1 2 2 HIS CA C 13 55.805 0.600 . 1 . . . . 2 HIS CA . 18086 1 5 . 1 1 2 2 HIS CB C 13 29.836 0.600 . 1 . . . . 2 HIS CB . 18086 1 6 . 1 1 3 3 MET H H 1 8.513 0.025 . 1 . . . . 3 MET H . 18086 1 7 . 1 1 3 3 MET HA H 1 4.387 0.025 . 1 . . . . 3 MET HA . 18086 1 8 . 1 1 3 3 MET HB2 H 1 1.976 0.025 . 2 . . . . 3 MET HB2 . 18086 1 9 . 1 1 3 3 MET HB3 H 1 1.878 0.025 . 2 . . . . 3 MET HB3 . 18086 1 10 . 1 1 3 3 MET HG2 H 1 2.428 0.025 . 2 . . . . 3 MET HG2 . 18086 1 11 . 1 1 3 3 MET HG3 H 1 2.378 0.025 . 2 . . . . 3 MET HG3 . 18086 1 12 . 1 1 3 3 MET HE1 H 1 1.988 0.025 . 1 . . . . 3 MET ME . 18086 1 13 . 1 1 3 3 MET HE2 H 1 1.988 0.025 . 1 . . . . 3 MET ME . 18086 1 14 . 1 1 3 3 MET HE3 H 1 1.988 0.025 . 1 . . . . 3 MET ME . 18086 1 15 . 1 1 3 3 MET CA C 13 55.291 0.600 . 1 . . . . 3 MET CA . 18086 1 16 . 1 1 3 3 MET CB C 13 32.633 0.600 . 1 . . . . 3 MET CB . 18086 1 17 . 1 1 3 3 MET CG C 13 31.711 0.600 . 1 . . . . 3 MET CG . 18086 1 18 . 1 1 3 3 MET CE C 13 16.829 0.600 . 1 . . . . 3 MET CE . 18086 1 19 . 1 1 3 3 MET N N 15 122.280 0.140 . 1 . . . . 3 MET N . 18086 1 20 . 1 1 4 4 GLU H H 1 8.460 0.025 . 1 . . . . 4 GLU H . 18086 1 21 . 1 1 4 4 GLU HA H 1 4.220 0.025 . 1 . . . . 4 GLU HA . 18086 1 22 . 1 1 4 4 GLU HB2 H 1 1.972 0.025 . 2 . . . . 4 GLU HB2 . 18086 1 23 . 1 1 4 4 GLU HB3 H 1 1.865 0.025 . 2 . . . . 4 GLU HB3 . 18086 1 24 . 1 1 4 4 GLU HG2 H 1 2.197 0.025 . 1 . . . . 4 GLU HG2 . 18086 1 25 . 1 1 4 4 GLU HG3 H 1 2.197 0.025 . 1 . . . . 4 GLU HG3 . 18086 1 26 . 1 1 4 4 GLU CA C 13 56.639 0.600 . 1 . . . . 4 GLU CA . 18086 1 27 . 1 1 4 4 GLU CB C 13 30.090 0.600 . 1 . . . . 4 GLU CB . 18086 1 28 . 1 1 4 4 GLU CG C 13 35.994 0.600 . 1 . . . . 4 GLU CG . 18086 1 29 . 1 1 4 4 GLU N N 15 122.497 0.140 . 1 . . . . 4 GLU N . 18086 1 30 . 1 1 5 5 GLY H H 1 8.415 0.025 . 1 . . . . 5 GLY H . 18086 1 31 . 1 1 5 5 GLY HA2 H 1 3.879 0.025 . 1 . . . . 5 GLY HA2 . 18086 1 32 . 1 1 5 5 GLY HA3 H 1 3.879 0.025 . 1 . . . . 5 GLY HA3 . 18086 1 33 . 1 1 5 5 GLY CA C 13 45.206 0.600 . 1 . . . . 5 GLY CA . 18086 1 34 . 1 1 5 5 GLY N N 15 110.263 0.140 . 1 . . . . 5 GLY N . 18086 1 35 . 1 1 6 6 LYS H H 1 8.121 0.025 . 1 . . . . 6 LYS H . 18086 1 36 . 1 1 6 6 LYS HA H 1 4.226 0.025 . 1 . . . . 6 LYS HA . 18086 1 37 . 1 1 6 6 LYS HB2 H 1 1.652 0.025 . 1 . . . . 6 LYS HB2 . 18086 1 38 . 1 1 6 6 LYS HB3 H 1 1.652 0.025 . 1 . . . . 6 LYS HB3 . 18086 1 39 . 1 1 6 6 LYS HG2 H 1 1.328 0.025 . 1 . . . . 6 LYS HG2 . 18086 1 40 . 1 1 6 6 LYS HG3 H 1 1.328 0.025 . 1 . . . . 6 LYS HG3 . 18086 1 41 . 1 1 6 6 LYS HD2 H 1 1.568 0.025 . 1 . . . . 6 LYS HD2 . 18086 1 42 . 1 1 6 6 LYS HD3 H 1 1.568 0.025 . 1 . . . . 6 LYS HD3 . 18086 1 43 . 1 1 6 6 LYS HE2 H 1 2.893 0.025 . 1 . . . . 6 LYS HE2 . 18086 1 44 . 1 1 6 6 LYS HE3 H 1 2.893 0.025 . 1 . . . . 6 LYS HE3 . 18086 1 45 . 1 1 6 6 LYS CA C 13 56.145 0.600 . 1 . . . . 6 LYS CA . 18086 1 46 . 1 1 6 6 LYS CB C 13 32.878 0.600 . 1 . . . . 6 LYS CB . 18086 1 47 . 1 1 6 6 LYS CG C 13 24.679 0.600 . 1 . . . . 6 LYS CG . 18086 1 48 . 1 1 6 6 LYS CD C 13 29.133 0.600 . 1 . . . . 6 LYS CD . 18086 1 49 . 1 1 6 6 LYS CE C 13 42.258 0.600 . 1 . . . . 6 LYS CE . 18086 1 50 . 1 1 6 6 LYS N N 15 120.477 0.140 . 1 . . . . 6 LYS N . 18086 1 51 . 1 1 7 7 ASN H H 1 8.346 0.025 . 1 . . . . 7 ASN H . 18086 1 52 . 1 1 7 7 ASN HA H 1 4.563 0.025 . 1 . . . . 7 ASN HA . 18086 1 53 . 1 1 7 7 ASN HB2 H 1 2.652 0.025 . 1 . . . . 7 ASN HB2 . 18086 1 54 . 1 1 7 7 ASN HB3 H 1 2.652 0.025 . 1 . . . . 7 ASN HB3 . 18086 1 55 . 1 1 7 7 ASN HD21 H 1 7.503 0.025 . 2 . . . . 7 ASN HD21 . 18086 1 56 . 1 1 7 7 ASN HD22 H 1 6.861 0.025 . 2 . . . . 7 ASN HD22 . 18086 1 57 . 1 1 7 7 ASN CA C 13 53.013 0.600 . 1 . . . . 7 ASN CA . 18086 1 58 . 1 1 7 7 ASN CB C 13 38.873 0.600 . 1 . . . . 7 ASN CB . 18086 1 59 . 1 1 7 7 ASN N N 15 119.244 0.140 . 1 . . . . 7 ASN N . 18086 1 60 . 1 1 7 7 ASN ND2 N 15 113.093 0.140 . 1 . . . . 7 ASN ND2 . 18086 1 61 . 1 1 8 8 LYS H H 1 8.093 0.025 . 1 . . . . 8 LYS H . 18086 1 62 . 1 1 8 8 LYS HA H 1 4.122 0.025 . 1 . . . . 8 LYS HA . 18086 1 63 . 1 1 8 8 LYS HB2 H 1 1.561 0.025 . 1 . . . . 8 LYS HB2 . 18086 1 64 . 1 1 8 8 LYS HB3 H 1 1.561 0.025 . 1 . . . . 8 LYS HB3 . 18086 1 65 . 1 1 8 8 LYS HG2 H 1 1.160 0.025 . 1 . . . . 8 LYS HG2 . 18086 1 66 . 1 1 8 8 LYS HG3 H 1 1.160 0.025 . 1 . . . . 8 LYS HG3 . 18086 1 67 . 1 1 8 8 LYS HD2 H 1 1.546 0.025 . 1 . . . . 8 LYS HD2 . 18086 1 68 . 1 1 8 8 LYS HD3 H 1 1.546 0.025 . 1 . . . . 8 LYS HD3 . 18086 1 69 . 1 1 8 8 LYS HE2 H 1 2.869 0.025 . 1 . . . . 8 LYS HE2 . 18086 1 70 . 1 1 8 8 LYS HE3 H 1 2.869 0.025 . 1 . . . . 8 LYS HE3 . 18086 1 71 . 1 1 8 8 LYS CA C 13 56.160 0.600 . 1 . . . . 8 LYS CA . 18086 1 72 . 1 1 8 8 LYS CB C 13 32.856 0.600 . 1 . . . . 8 LYS CB . 18086 1 73 . 1 1 8 8 LYS CG C 13 24.421 0.600 . 1 . . . . 8 LYS CG . 18086 1 74 . 1 1 8 8 LYS CD C 13 28.958 0.600 . 1 . . . . 8 LYS CD . 18086 1 75 . 1 1 8 8 LYS CE C 13 42.025 0.600 . 1 . . . . 8 LYS CE . 18086 1 76 . 1 1 8 8 LYS N N 15 121.207 0.140 . 1 . . . . 8 LYS N . 18086 1 77 . 1 1 9 9 PHE H H 1 8.100 0.025 . 1 . . . . 9 PHE H . 18086 1 78 . 1 1 9 9 PHE HA H 1 4.453 0.025 . 1 . . . . 9 PHE HA . 18086 1 79 . 1 1 9 9 PHE HB2 H 1 2.756 0.025 . 1 . . . . 9 PHE HB2 . 18086 1 80 . 1 1 9 9 PHE HB3 H 1 2.756 0.025 . 1 . . . . 9 PHE HB3 . 18086 1 81 . 1 1 9 9 PHE HD1 H 1 6.991 0.025 . 1 . . . . 9 PHE HD1 . 18086 1 82 . 1 1 9 9 PHE HD2 H 1 6.991 0.025 . 1 . . . . 9 PHE HD2 . 18086 1 83 . 1 1 9 9 PHE HE1 H 1 7.282 0.025 . 1 . . . . 9 PHE HE1 . 18086 1 84 . 1 1 9 9 PHE HE2 H 1 7.282 0.025 . 1 . . . . 9 PHE HE2 . 18086 1 85 . 1 1 9 9 PHE HZ H 1 7.242 0.025 . 1 . . . . 9 PHE HZ . 18086 1 86 . 1 1 9 9 PHE CA C 13 57.024 0.600 . 1 . . . . 9 PHE CA . 18086 1 87 . 1 1 9 9 PHE CB C 13 40.216 0.600 . 1 . . . . 9 PHE CB . 18086 1 88 . 1 1 9 9 PHE N N 15 119.449 0.140 . 1 . . . . 9 PHE N . 18086 1 89 . 1 1 10 10 ASN H H 1 8.534 0.025 . 1 . . . . 10 ASN H . 18086 1 90 . 1 1 10 10 ASN HA H 1 4.815 0.025 . 1 . . . . 10 ASN HA . 18086 1 91 . 1 1 10 10 ASN HB2 H 1 2.435 0.025 . 2 . . . . 10 ASN HB2 . 18086 1 92 . 1 1 10 10 ASN HB3 H 1 2.028 0.025 . 2 . . . . 10 ASN HB3 . 18086 1 93 . 1 1 10 10 ASN HD21 H 1 7.344 0.025 . 2 . . . . 10 ASN HD21 . 18086 1 94 . 1 1 10 10 ASN HD22 H 1 6.838 0.025 . 2 . . . . 10 ASN HD22 . 18086 1 95 . 1 1 10 10 ASN CA C 13 51.959 0.600 . 1 . . . . 10 ASN CA . 18086 1 96 . 1 1 10 10 ASN CB C 13 42.478 0.600 . 1 . . . . 10 ASN CB . 18086 1 97 . 1 1 10 10 ASN N N 15 119.499 0.140 . 1 . . . . 10 ASN N . 18086 1 98 . 1 1 10 10 ASN ND2 N 15 113.869 0.140 . 1 . . . . 10 ASN ND2 . 18086 1 99 . 1 1 11 11 THR H H 1 8.426 0.025 . 1 . . . . 11 THR H . 18086 1 100 . 1 1 11 11 THR HA H 1 5.333 0.025 . 1 . . . . 11 THR HA . 18086 1 101 . 1 1 11 11 THR HB H 1 3.745 0.025 . 1 . . . . 11 THR HB . 18086 1 102 . 1 1 11 11 THR HG21 H 1 1.009 0.025 . 1 . . . . 11 THR MG . 18086 1 103 . 1 1 11 11 THR HG22 H 1 1.009 0.025 . 1 . . . . 11 THR MG . 18086 1 104 . 1 1 11 11 THR HG23 H 1 1.009 0.025 . 1 . . . . 11 THR MG . 18086 1 105 . 1 1 11 11 THR CA C 13 61.773 0.600 . 1 . . . . 11 THR CA . 18086 1 106 . 1 1 11 11 THR CB C 13 69.796 0.600 . 1 . . . . 11 THR CB . 18086 1 107 . 1 1 11 11 THR CG2 C 13 21.211 0.600 . 1 . . . . 11 THR CG2 . 18086 1 108 . 1 1 11 11 THR N N 15 117.242 0.140 . 1 . . . . 11 THR N . 18086 1 109 . 1 1 12 12 TYR H H 1 9.006 0.025 . 1 . . . . 12 TYR H . 18086 1 110 . 1 1 12 12 TYR HA H 1 5.116 0.025 . 1 . . . . 12 TYR HA . 18086 1 111 . 1 1 12 12 TYR HB2 H 1 2.839 0.025 . 2 . . . . 12 TYR HB2 . 18086 1 112 . 1 1 12 12 TYR HB3 H 1 2.365 0.025 . 2 . . . . 12 TYR HB3 . 18086 1 113 . 1 1 12 12 TYR HD1 H 1 6.670 0.025 . 1 . . . . 12 TYR HD1 . 18086 1 114 . 1 1 12 12 TYR HD2 H 1 6.670 0.025 . 1 . . . . 12 TYR HD2 . 18086 1 115 . 1 1 12 12 TYR HE1 H 1 6.745 0.025 . 1 . . . . 12 TYR HE1 . 18086 1 116 . 1 1 12 12 TYR HE2 H 1 6.745 0.025 . 1 . . . . 12 TYR HE2 . 18086 1 117 . 1 1 12 12 TYR CA C 13 55.826 0.600 . 1 . . . . 12 TYR CA . 18086 1 118 . 1 1 12 12 TYR CB C 13 41.971 0.600 . 1 . . . . 12 TYR CB . 18086 1 119 . 1 1 12 12 TYR N N 15 125.399 0.140 . 1 . . . . 12 TYR N . 18086 1 120 . 1 1 13 13 VAL H H 1 9.232 0.025 . 1 . . . . 13 VAL H . 18086 1 121 . 1 1 13 13 VAL HA H 1 4.613 0.025 . 1 . . . . 13 VAL HA . 18086 1 122 . 1 1 13 13 VAL HB H 1 1.335 0.025 . 1 . . . . 13 VAL HB . 18086 1 123 . 1 1 13 13 VAL HG11 H 1 0.340 0.025 . 2 . . . . 13 VAL MG1 . 18086 1 124 . 1 1 13 13 VAL HG12 H 1 0.340 0.025 . 2 . . . . 13 VAL MG1 . 18086 1 125 . 1 1 13 13 VAL HG13 H 1 0.340 0.025 . 2 . . . . 13 VAL MG1 . 18086 1 126 . 1 1 13 13 VAL HG21 H 1 0.078 0.025 . 2 . . . . 13 VAL MG2 . 18086 1 127 . 1 1 13 13 VAL HG22 H 1 0.078 0.025 . 2 . . . . 13 VAL MG2 . 18086 1 128 . 1 1 13 13 VAL HG23 H 1 0.078 0.025 . 2 . . . . 13 VAL MG2 . 18086 1 129 . 1 1 13 13 VAL CA C 13 61.470 0.600 . 1 . . . . 13 VAL CA . 18086 1 130 . 1 1 13 13 VAL CB C 13 33.414 0.600 . 1 . . . . 13 VAL CB . 18086 1 131 . 1 1 13 13 VAL CG1 C 13 20.710 0.600 . 2 . . . . 13 VAL CG1 . 18086 1 132 . 1 1 13 13 VAL CG2 C 13 21.022 0.600 . 2 . . . . 13 VAL CG2 . 18086 1 133 . 1 1 13 13 VAL N N 15 119.204 0.140 . 1 . . . . 13 VAL N . 18086 1 134 . 1 1 14 14 VAL H H 1 9.724 0.025 . 1 . . . . 14 VAL H . 18086 1 135 . 1 1 14 14 VAL HA H 1 4.800 0.025 . 1 . . . . 14 VAL HA . 18086 1 136 . 1 1 14 14 VAL HB H 1 1.840 0.025 . 1 . . . . 14 VAL HB . 18086 1 137 . 1 1 14 14 VAL HG11 H 1 0.815 0.025 . 2 . . . . 14 VAL MG1 . 18086 1 138 . 1 1 14 14 VAL HG12 H 1 0.815 0.025 . 2 . . . . 14 VAL MG1 . 18086 1 139 . 1 1 14 14 VAL HG13 H 1 0.815 0.025 . 2 . . . . 14 VAL MG1 . 18086 1 140 . 1 1 14 14 VAL HG21 H 1 0.530 0.025 . 2 . . . . 14 VAL MG2 . 18086 1 141 . 1 1 14 14 VAL HG22 H 1 0.530 0.025 . 2 . . . . 14 VAL MG2 . 18086 1 142 . 1 1 14 14 VAL HG23 H 1 0.530 0.025 . 2 . . . . 14 VAL MG2 . 18086 1 143 . 1 1 14 14 VAL CA C 13 59.529 0.600 . 1 . . . . 14 VAL CA . 18086 1 144 . 1 1 14 14 VAL CB C 13 33.096 0.600 . 1 . . . . 14 VAL CB . 18086 1 145 . 1 1 14 14 VAL CG1 C 13 21.216 0.600 . 2 . . . . 14 VAL CG1 . 18086 1 146 . 1 1 14 14 VAL CG2 C 13 21.564 0.600 . 2 . . . . 14 VAL CG2 . 18086 1 147 . 1 1 14 14 VAL N N 15 127.785 0.140 . 1 . . . . 14 VAL N . 18086 1 148 . 1 1 15 15 SER H H 1 8.854 0.025 . 1 . . . . 15 SER H . 18086 1 149 . 1 1 15 15 SER HA H 1 5.551 0.025 . 1 . . . . 15 SER HA . 18086 1 150 . 1 1 15 15 SER HB2 H 1 3.711 0.025 . 2 . . . . 15 SER HB2 . 18086 1 151 . 1 1 15 15 SER HB3 H 1 3.534 0.025 . 2 . . . . 15 SER HB3 . 18086 1 152 . 1 1 15 15 SER CA C 13 56.898 0.600 . 1 . . . . 15 SER CA . 18086 1 153 . 1 1 15 15 SER CB C 13 65.504 0.600 . 1 . . . . 15 SER CB . 18086 1 154 . 1 1 15 15 SER N N 15 120.171 0.140 . 1 . . . . 15 SER N . 18086 1 155 . 1 1 16 16 PHE H H 1 8.771 0.025 . 1 . . . . 16 PHE H . 18086 1 156 . 1 1 16 16 PHE HA H 1 5.106 0.025 . 1 . . . . 16 PHE HA . 18086 1 157 . 1 1 16 16 PHE HB2 H 1 3.066 0.025 . 2 . . . . 16 PHE HB2 . 18086 1 158 . 1 1 16 16 PHE HB3 H 1 2.646 0.025 . 2 . . . . 16 PHE HB3 . 18086 1 159 . 1 1 16 16 PHE HD1 H 1 7.004 0.025 . 1 . . . . 16 PHE HD1 . 18086 1 160 . 1 1 16 16 PHE HD2 H 1 7.004 0.025 . 1 . . . . 16 PHE HD2 . 18086 1 161 . 1 1 16 16 PHE HE1 H 1 6.436 0.025 . 1 . . . . 16 PHE HE1 . 18086 1 162 . 1 1 16 16 PHE HE2 H 1 6.436 0.025 . 1 . . . . 16 PHE HE2 . 18086 1 163 . 1 1 16 16 PHE HZ H 1 6.741 0.025 . 1 . . . . 16 PHE HZ . 18086 1 164 . 1 1 16 16 PHE CA C 13 57.081 0.600 . 1 . . . . 16 PHE CA . 18086 1 165 . 1 1 16 16 PHE CB C 13 42.956 0.600 . 1 . . . . 16 PHE CB . 18086 1 166 . 1 1 16 16 PHE N N 15 122.600 0.140 . 1 . . . . 16 PHE N . 18086 1 167 . 1 1 17 17 ASP H H 1 8.747 0.025 . 1 . . . . 17 ASP H . 18086 1 168 . 1 1 17 17 ASP HA H 1 4.822 0.025 . 1 . . . . 17 ASP HA . 18086 1 169 . 1 1 17 17 ASP HB2 H 1 2.609 0.025 . 2 . . . . 17 ASP HB2 . 18086 1 170 . 1 1 17 17 ASP HB3 H 1 2.460 0.025 . 2 . . . . 17 ASP HB3 . 18086 1 171 . 1 1 17 17 ASP CA C 13 53.286 0.600 . 1 . . . . 17 ASP CA . 18086 1 172 . 1 1 17 17 ASP CB C 13 43.144 0.600 . 1 . . . . 17 ASP CB . 18086 1 173 . 1 1 17 17 ASP N N 15 122.008 0.140 . 1 . . . . 17 ASP N . 18086 1 174 . 1 1 18 18 TYR H H 1 7.616 0.025 . 1 . . . . 18 TYR H . 18086 1 175 . 1 1 18 18 TYR HA H 1 5.276 0.025 . 1 . . . . 18 TYR HA . 18086 1 176 . 1 1 18 18 TYR HB2 H 1 3.018 0.025 . 2 . . . . 18 TYR HB2 . 18086 1 177 . 1 1 18 18 TYR HB3 H 1 2.891 0.025 . 2 . . . . 18 TYR HB3 . 18086 1 178 . 1 1 18 18 TYR HD1 H 1 6.626 0.025 . 1 . . . . 18 TYR HD1 . 18086 1 179 . 1 1 18 18 TYR HD2 H 1 6.626 0.025 . 1 . . . . 18 TYR HD2 . 18086 1 180 . 1 1 18 18 TYR HE1 H 1 5.876 0.025 . 1 . . . . 18 TYR HE1 . 18086 1 181 . 1 1 18 18 TYR HE2 H 1 5.876 0.025 . 1 . . . . 18 TYR HE2 . 18086 1 182 . 1 1 18 18 TYR CA C 13 54.447 0.600 . 1 . . . . 18 TYR CA . 18086 1 183 . 1 1 18 18 TYR CB C 13 38.850 0.600 . 1 . . . . 18 TYR CB . 18086 1 184 . 1 1 18 18 TYR N N 15 121.454 0.140 . 1 . . . . 18 TYR N . 18086 1 185 . 1 1 19 19 PRO HA H 1 4.510 0.025 . 1 . . . . 19 PRO HA . 18086 1 186 . 1 1 19 19 PRO HB2 H 1 2.433 0.025 . 2 . . . . 19 PRO HB2 . 18086 1 187 . 1 1 19 19 PRO HB3 H 1 2.080 0.025 . 2 . . . . 19 PRO HB3 . 18086 1 188 . 1 1 19 19 PRO HG2 H 1 2.190 0.025 . 2 . . . . 19 PRO HG2 . 18086 1 189 . 1 1 19 19 PRO HG3 H 1 2.048 0.025 . 2 . . . . 19 PRO HG3 . 18086 1 190 . 1 1 19 19 PRO HD2 H 1 3.886 0.025 . 1 . . . . 19 PRO HD2 . 18086 1 191 . 1 1 19 19 PRO HD3 H 1 3.886 0.025 . 1 . . . . 19 PRO HD3 . 18086 1 192 . 1 1 19 19 PRO CA C 13 62.429 0.600 . 1 . . . . 19 PRO CA . 18086 1 193 . 1 1 19 19 PRO CB C 13 32.157 0.600 . 1 . . . . 19 PRO CB . 18086 1 194 . 1 1 19 19 PRO CG C 13 27.743 0.600 . 1 . . . . 19 PRO CG . 18086 1 195 . 1 1 19 19 PRO CD C 13 51.163 0.600 . 1 . . . . 19 PRO CD . 18086 1 196 . 1 1 20 20 SER H H 1 8.745 0.025 . 1 . . . . 20 SER H . 18086 1 197 . 1 1 20 20 SER HA H 1 4.108 0.025 . 1 . . . . 20 SER HA . 18086 1 198 . 1 1 20 20 SER HB2 H 1 3.903 0.025 . 1 . . . . 20 SER HB2 . 18086 1 199 . 1 1 20 20 SER HB3 H 1 3.903 0.025 . 1 . . . . 20 SER HB3 . 18086 1 200 . 1 1 20 20 SER CA C 13 61.277 0.600 . 1 . . . . 20 SER CA . 18086 1 201 . 1 1 20 20 SER CB C 13 62.512 0.600 . 1 . . . . 20 SER CB . 18086 1 202 . 1 1 20 20 SER N N 15 118.564 0.140 . 1 . . . . 20 SER N . 18086 1 203 . 1 1 21 21 SER H H 1 8.163 0.025 . 1 . . . . 21 SER H . 18086 1 204 . 1 1 21 21 SER HA H 1 4.217 0.025 . 1 . . . . 21 SER HA . 18086 1 205 . 1 1 21 21 SER HB2 H 1 3.713 0.025 . 1 . . . . 21 SER HB2 . 18086 1 206 . 1 1 21 21 SER HB3 H 1 3.713 0.025 . 1 . . . . 21 SER HB3 . 18086 1 207 . 1 1 21 21 SER CA C 13 60.103 0.600 . 1 . . . . 21 SER CA . 18086 1 208 . 1 1 21 21 SER CB C 13 62.088 0.600 . 1 . . . . 21 SER CB . 18086 1 209 . 1 1 21 21 SER N N 15 116.803 0.140 . 1 . . . . 21 SER N . 18086 1 210 . 1 1 22 22 TYR H H 1 8.287 0.025 . 1 . . . . 22 TYR H . 18086 1 211 . 1 1 22 22 TYR HA H 1 4.904 0.025 . 1 . . . . 22 TYR HA . 18086 1 212 . 1 1 22 22 TYR HB2 H 1 3.431 0.025 . 2 . . . . 22 TYR HB2 . 18086 1 213 . 1 1 22 22 TYR HB3 H 1 2.949 0.025 . 2 . . . . 22 TYR HB3 . 18086 1 214 . 1 1 22 22 TYR HD1 H 1 7.240 0.025 . 1 . . . . 22 TYR HD1 . 18086 1 215 . 1 1 22 22 TYR HD2 H 1 7.240 0.025 . 1 . . . . 22 TYR HD2 . 18086 1 216 . 1 1 22 22 TYR HE1 H 1 6.808 0.025 . 1 . . . . 22 TYR HE1 . 18086 1 217 . 1 1 22 22 TYR HE2 H 1 6.808 0.025 . 1 . . . . 22 TYR HE2 . 18086 1 218 . 1 1 22 22 TYR CA C 13 58.011 0.600 . 1 . . . . 22 TYR CA . 18086 1 219 . 1 1 22 22 TYR CB C 13 38.410 0.600 . 1 . . . . 22 TYR CB . 18086 1 220 . 1 1 22 22 TYR N N 15 120.206 0.140 . 1 . . . . 22 TYR N . 18086 1 221 . 1 1 23 23 SER H H 1 8.063 0.025 . 1 . . . . 23 SER H . 18086 1 222 . 1 1 23 23 SER HA H 1 4.129 0.025 . 1 . . . . 23 SER HA . 18086 1 223 . 1 1 23 23 SER HB2 H 1 4.118 0.025 . 1 . . . . 23 SER HB2 . 18086 1 224 . 1 1 23 23 SER HB3 H 1 4.118 0.025 . 1 . . . . 23 SER HB3 . 18086 1 225 . 1 1 23 23 SER CA C 13 62.883 0.600 . 1 . . . . 23 SER CA . 18086 1 226 . 1 1 23 23 SER CB C 13 62.883 0.600 . 1 . . . . 23 SER CB . 18086 1 227 . 1 1 23 23 SER N N 15 117.075 0.140 . 1 . . . . 23 SER N . 18086 1 228 . 1 1 24 24 SER H H 1 8.701 0.025 . 1 . . . . 24 SER H . 18086 1 229 . 1 1 24 24 SER HA H 1 3.898 0.025 . 1 . . . . 24 SER HA . 18086 1 230 . 1 1 24 24 SER HB2 H 1 3.860 0.025 . 1 . . . . 24 SER HB2 . 18086 1 231 . 1 1 24 24 SER HB3 H 1 3.860 0.025 . 1 . . . . 24 SER HB3 . 18086 1 232 . 1 1 24 24 SER CA C 13 61.711 0.600 . 1 . . . . 24 SER CA . 18086 1 233 . 1 1 24 24 SER CB C 13 62.649 0.600 . 1 . . . . 24 SER CB . 18086 1 234 . 1 1 24 24 SER N N 15 116.154 0.140 . 1 . . . . 24 SER N . 18086 1 235 . 1 1 25 25 VAL H H 1 7.473 0.025 . 1 . . . . 25 VAL H . 18086 1 236 . 1 1 25 25 VAL HA H 1 3.684 0.025 . 1 . . . . 25 VAL HA . 18086 1 237 . 1 1 25 25 VAL HB H 1 1.935 0.025 . 1 . . . . 25 VAL HB . 18086 1 238 . 1 1 25 25 VAL HG11 H 1 0.996 0.025 . 2 . . . . 25 VAL MG1 . 18086 1 239 . 1 1 25 25 VAL HG12 H 1 0.996 0.025 . 2 . . . . 25 VAL MG1 . 18086 1 240 . 1 1 25 25 VAL HG13 H 1 0.996 0.025 . 2 . . . . 25 VAL MG1 . 18086 1 241 . 1 1 25 25 VAL HG21 H 1 0.817 0.025 . 2 . . . . 25 VAL MG2 . 18086 1 242 . 1 1 25 25 VAL HG22 H 1 0.817 0.025 . 2 . . . . 25 VAL MG2 . 18086 1 243 . 1 1 25 25 VAL HG23 H 1 0.817 0.025 . 2 . . . . 25 VAL MG2 . 18086 1 244 . 1 1 25 25 VAL CA C 13 65.185 0.600 . 1 . . . . 25 VAL CA . 18086 1 245 . 1 1 25 25 VAL CB C 13 31.676 0.600 . 1 . . . . 25 VAL CB . 18086 1 246 . 1 1 25 25 VAL CG1 C 13 22.148 0.600 . 2 . . . . 25 VAL CG1 . 18086 1 247 . 1 1 25 25 VAL CG2 C 13 22.570 0.600 . 2 . . . . 25 VAL CG2 . 18086 1 248 . 1 1 25 25 VAL N N 15 122.618 0.140 . 1 . . . . 25 VAL N . 18086 1 249 . 1 1 26 26 PHE H H 1 8.174 0.025 . 1 . . . . 26 PHE H . 18086 1 250 . 1 1 26 26 PHE HA H 1 3.549 0.025 . 1 . . . . 26 PHE HA . 18086 1 251 . 1 1 26 26 PHE HB2 H 1 2.639 0.025 . 2 . . . . 26 PHE HB2 . 18086 1 252 . 1 1 26 26 PHE HB3 H 1 2.179 0.025 . 2 . . . . 26 PHE HB3 . 18086 1 253 . 1 1 26 26 PHE HD1 H 1 6.503 0.025 . 1 . . . . 26 PHE HD1 . 18086 1 254 . 1 1 26 26 PHE HD2 H 1 6.503 0.025 . 1 . . . . 26 PHE HD2 . 18086 1 255 . 1 1 26 26 PHE HE1 H 1 6.607 0.025 . 1 . . . . 26 PHE HE1 . 18086 1 256 . 1 1 26 26 PHE HE2 H 1 6.607 0.025 . 1 . . . . 26 PHE HE2 . 18086 1 257 . 1 1 26 26 PHE HZ H 1 6.861 0.025 . 1 . . . . 26 PHE HZ . 18086 1 258 . 1 1 26 26 PHE CA C 13 61.527 0.600 . 1 . . . . 26 PHE CA . 18086 1 259 . 1 1 26 26 PHE CB C 13 38.171 0.600 . 1 . . . . 26 PHE CB . 18086 1 260 . 1 1 26 26 PHE N N 15 121.251 0.140 . 1 . . . . 26 PHE N . 18086 1 261 . 1 1 27 27 LEU H H 1 7.571 0.025 . 1 . . . . 27 LEU H . 18086 1 262 . 1 1 27 27 LEU HA H 1 3.695 0.025 . 1 . . . . 27 LEU HA . 18086 1 263 . 1 1 27 27 LEU HB2 H 1 1.766 0.025 . 2 . . . . 27 LEU HB2 . 18086 1 264 . 1 1 27 27 LEU HB3 H 1 1.454 0.025 . 2 . . . . 27 LEU HB3 . 18086 1 265 . 1 1 27 27 LEU HG H 1 1.787 0.025 . 1 . . . . 27 LEU HG . 18086 1 266 . 1 1 27 27 LEU HD11 H 1 0.888 0.025 . 2 . . . . 27 LEU MD1 . 18086 1 267 . 1 1 27 27 LEU HD12 H 1 0.888 0.025 . 2 . . . . 27 LEU MD1 . 18086 1 268 . 1 1 27 27 LEU HD13 H 1 0.888 0.025 . 2 . . . . 27 LEU MD1 . 18086 1 269 . 1 1 27 27 LEU HD21 H 1 0.847 0.025 . 2 . . . . 27 LEU MD2 . 18086 1 270 . 1 1 27 27 LEU HD22 H 1 0.847 0.025 . 2 . . . . 27 LEU MD2 . 18086 1 271 . 1 1 27 27 LEU HD23 H 1 0.847 0.025 . 2 . . . . 27 LEU MD2 . 18086 1 272 . 1 1 27 27 LEU CA C 13 58.152 0.600 . 1 . . . . 27 LEU CA . 18086 1 273 . 1 1 27 27 LEU CB C 13 41.241 0.600 . 1 . . . . 27 LEU CB . 18086 1 274 . 1 1 27 27 LEU CG C 13 26.639 0.600 . 1 . . . . 27 LEU CG . 18086 1 275 . 1 1 27 27 LEU CD1 C 13 24.999 0.600 . 2 . . . . 27 LEU CD1 . 18086 1 276 . 1 1 27 27 LEU CD2 C 13 22.920 0.600 . 2 . . . . 27 LEU CD2 . 18086 1 277 . 1 1 27 27 LEU N N 15 116.429 0.140 . 1 . . . . 27 LEU N . 18086 1 278 . 1 1 28 28 ARG H H 1 7.139 0.025 . 1 . . . . 28 ARG H . 18086 1 279 . 1 1 28 28 ARG HA H 1 3.987 0.025 . 1 . . . . 28 ARG HA . 18086 1 280 . 1 1 28 28 ARG HB2 H 1 1.796 0.025 . 1 . . . . 28 ARG HB2 . 18086 1 281 . 1 1 28 28 ARG HB3 H 1 1.796 0.025 . 1 . . . . 28 ARG HB3 . 18086 1 282 . 1 1 28 28 ARG HG2 H 1 1.566 0.025 . 1 . . . . 28 ARG HG2 . 18086 1 283 . 1 1 28 28 ARG HG3 H 1 1.566 0.025 . 1 . . . . 28 ARG HG3 . 18086 1 284 . 1 1 28 28 ARG HD2 H 1 3.146 0.025 . 1 . . . . 28 ARG HD2 . 18086 1 285 . 1 1 28 28 ARG HD3 H 1 3.146 0.025 . 1 . . . . 28 ARG HD3 . 18086 1 286 . 1 1 28 28 ARG CA C 13 58.101 0.600 . 1 . . . . 28 ARG CA . 18086 1 287 . 1 1 28 28 ARG CB C 13 29.969 0.600 . 1 . . . . 28 ARG CB . 18086 1 288 . 1 1 28 28 ARG CG C 13 26.874 0.600 . 1 . . . . 28 ARG CG . 18086 1 289 . 1 1 28 28 ARG CD C 13 43.430 0.600 . 1 . . . . 28 ARG CD . 18086 1 290 . 1 1 28 28 ARG N N 15 117.952 0.140 . 1 . . . . 28 ARG N . 18086 1 291 . 1 1 29 29 LEU H H 1 7.409 0.025 . 1 . . . . 29 LEU H . 18086 1 292 . 1 1 29 29 LEU HA H 1 3.525 0.025 . 1 . . . . 29 LEU HA . 18086 1 293 . 1 1 29 29 LEU HB2 H 1 1.056 0.025 . 2 . . . . 29 LEU HB2 . 18086 1 294 . 1 1 29 29 LEU HB3 H 1 0.821 0.025 . 2 . . . . 29 LEU HB3 . 18086 1 295 . 1 1 29 29 LEU HG H 1 0.684 0.025 . 1 . . . . 29 LEU HG . 18086 1 296 . 1 1 29 29 LEU HD11 H 1 0.206 0.025 . 2 . . . . 29 LEU MD1 . 18086 1 297 . 1 1 29 29 LEU HD12 H 1 0.206 0.025 . 2 . . . . 29 LEU MD1 . 18086 1 298 . 1 1 29 29 LEU HD13 H 1 0.206 0.025 . 2 . . . . 29 LEU MD1 . 18086 1 299 . 1 1 29 29 LEU HD21 H 1 -0.194 0.025 . 2 . . . . 29 LEU MD2 . 18086 1 300 . 1 1 29 29 LEU HD22 H 1 -0.194 0.025 . 2 . . . . 29 LEU MD2 . 18086 1 301 . 1 1 29 29 LEU HD23 H 1 -0.194 0.025 . 2 . . . . 29 LEU MD2 . 18086 1 302 . 1 1 29 29 LEU CA C 13 57.779 0.600 . 1 . . . . 29 LEU CA . 18086 1 303 . 1 1 29 29 LEU CB C 13 40.948 0.600 . 1 . . . . 29 LEU CB . 18086 1 304 . 1 1 29 29 LEU CG C 13 27.258 0.600 . 1 . . . . 29 LEU CG . 18086 1 305 . 1 1 29 29 LEU CD1 C 13 23.714 0.600 . 2 . . . . 29 LEU CD1 . 18086 1 306 . 1 1 29 29 LEU CD2 C 13 24.378 0.600 . 2 . . . . 29 LEU CD2 . 18086 1 307 . 1 1 29 29 LEU N N 15 123.161 0.140 . 1 . . . . 29 LEU N . 18086 1 308 . 1 1 30 30 ARG H H 1 7.938 0.025 . 1 . . . . 30 ARG H . 18086 1 309 . 1 1 30 30 ARG HA H 1 2.857 0.025 . 1 . . . . 30 ARG HA . 18086 1 310 . 1 1 30 30 ARG HB2 H 1 1.522 0.025 . 2 . . . . 30 ARG HB2 . 18086 1 311 . 1 1 30 30 ARG HB3 H 1 1.349 0.025 . 2 . . . . 30 ARG HB3 . 18086 1 312 . 1 1 30 30 ARG HG2 H 1 1.251 0.025 . 1 . . . . 30 ARG HG2 . 18086 1 313 . 1 1 30 30 ARG HG3 H 1 1.251 0.025 . 1 . . . . 30 ARG HG3 . 18086 1 314 . 1 1 30 30 ARG HD2 H 1 3.295 0.025 . 1 . . . . 30 ARG HD2 . 18086 1 315 . 1 1 30 30 ARG HD3 H 1 3.295 0.025 . 1 . . . . 30 ARG HD3 . 18086 1 316 . 1 1 30 30 ARG CA C 13 59.568 0.600 . 1 . . . . 30 ARG CA . 18086 1 317 . 1 1 30 30 ARG CB C 13 29.444 0.600 . 1 . . . . 30 ARG CB . 18086 1 318 . 1 1 30 30 ARG CG C 13 27.627 0.600 . 1 . . . . 30 ARG CG . 18086 1 319 . 1 1 30 30 ARG CD C 13 43.464 0.600 . 1 . . . . 30 ARG CD . 18086 1 320 . 1 1 30 30 ARG N N 15 118.182 0.140 . 1 . . . . 30 ARG N . 18086 1 321 . 1 1 31 31 SER H H 1 6.881 0.025 . 1 . . . . 31 SER H . 18086 1 322 . 1 1 31 31 SER HA H 1 3.879 0.025 . 1 . . . . 31 SER HA . 18086 1 323 . 1 1 31 31 SER HB2 H 1 3.874 0.025 . 1 . . . . 31 SER HB2 . 18086 1 324 . 1 1 31 31 SER HB3 H 1 3.874 0.025 . 1 . . . . 31 SER HB3 . 18086 1 325 . 1 1 31 31 SER CA C 13 61.946 0.600 . 1 . . . . 31 SER CA . 18086 1 326 . 1 1 31 31 SER CB C 13 62.649 0.600 . 1 . . . . 31 SER CB . 18086 1 327 . 1 1 31 31 SER N N 15 110.503 0.140 . 1 . . . . 31 SER N . 18086 1 328 . 1 1 32 32 LEU H H 1 7.175 0.025 . 1 . . . . 32 LEU H . 18086 1 329 . 1 1 32 32 LEU HA H 1 4.009 0.025 . 1 . . . . 32 LEU HA . 18086 1 330 . 1 1 32 32 LEU HB2 H 1 1.615 0.025 . 2 . . . . 32 LEU HB2 . 18086 1 331 . 1 1 32 32 LEU HB3 H 1 1.388 0.025 . 2 . . . . 32 LEU HB3 . 18086 1 332 . 1 1 32 32 LEU HG H 1 1.592 0.025 . 1 . . . . 32 LEU HG . 18086 1 333 . 1 1 32 32 LEU HD11 H 1 0.713 0.025 . 2 . . . . 32 LEU MD1 . 18086 1 334 . 1 1 32 32 LEU HD12 H 1 0.713 0.025 . 2 . . . . 32 LEU MD1 . 18086 1 335 . 1 1 32 32 LEU HD13 H 1 0.713 0.025 . 2 . . . . 32 LEU MD1 . 18086 1 336 . 1 1 32 32 LEU HD21 H 1 0.698 0.025 . 2 . . . . 32 LEU MD2 . 18086 1 337 . 1 1 32 32 LEU HD22 H 1 0.698 0.025 . 2 . . . . 32 LEU MD2 . 18086 1 338 . 1 1 32 32 LEU HD23 H 1 0.698 0.025 . 2 . . . . 32 LEU MD2 . 18086 1 339 . 1 1 32 32 LEU CA C 13 57.755 0.600 . 1 . . . . 32 LEU CA . 18086 1 340 . 1 1 32 32 LEU CB C 13 41.322 0.600 . 1 . . . . 32 LEU CB . 18086 1 341 . 1 1 32 32 LEU CG C 13 26.770 0.600 . 1 . . . . 32 LEU CG . 18086 1 342 . 1 1 32 32 LEU CD1 C 13 25.073 0.600 . 2 . . . . 32 LEU CD1 . 18086 1 343 . 1 1 32 32 LEU CD2 C 13 23.507 0.600 . 2 . . . . 32 LEU CD2 . 18086 1 344 . 1 1 32 32 LEU N N 15 121.809 0.140 . 1 . . . . 32 LEU N . 18086 1 345 . 1 1 33 33 MET H H 1 7.678 0.025 . 1 . . . . 33 MET H . 18086 1 346 . 1 1 33 33 MET HA H 1 3.859 0.025 . 1 . . . . 33 MET HA . 18086 1 347 . 1 1 33 33 MET HB2 H 1 0.537 0.025 . 2 . . . . 33 MET HB2 . 18086 1 348 . 1 1 33 33 MET HB3 H 1 1.135 0.025 . 2 . . . . 33 MET HB3 . 18086 1 349 . 1 1 33 33 MET HG2 H 1 0.758 0.025 . 2 . . . . 33 MET HG2 . 18086 1 350 . 1 1 33 33 MET HG3 H 1 1.658 0.025 . 2 . . . . 33 MET HG3 . 18086 1 351 . 1 1 33 33 MET HE1 H 1 1.834 0.025 . 1 . . . . 33 MET ME . 18086 1 352 . 1 1 33 33 MET HE2 H 1 1.834 0.025 . 1 . . . . 33 MET ME . 18086 1 353 . 1 1 33 33 MET HE3 H 1 1.834 0.025 . 1 . . . . 33 MET ME . 18086 1 354 . 1 1 33 33 MET CA C 13 56.512 0.600 . 1 . . . . 33 MET CA . 18086 1 355 . 1 1 33 33 MET CB C 13 29.057 0.600 . 1 . . . . 33 MET CB . 18086 1 356 . 1 1 33 33 MET CG C 13 31.307 0.600 . 1 . . . . 33 MET CG . 18086 1 357 . 1 1 33 33 MET CE C 13 16.829 0.600 . 1 . . . . 33 MET CE . 18086 1 358 . 1 1 33 33 MET N N 15 116.994 0.140 . 1 . . . . 33 MET N . 18086 1 359 . 1 1 34 34 TYR H H 1 7.763 0.025 . 1 . . . . 34 TYR H . 18086 1 360 . 1 1 34 34 TYR HA H 1 4.897 0.025 . 1 . . . . 34 TYR HA . 18086 1 361 . 1 1 34 34 TYR HB2 H 1 3.248 0.025 . 2 . . . . 34 TYR HB2 . 18086 1 362 . 1 1 34 34 TYR HB3 H 1 3.077 0.025 . 2 . . . . 34 TYR HB3 . 18086 1 363 . 1 1 34 34 TYR HD1 H 1 7.201 0.025 . 1 . . . . 34 TYR HD1 . 18086 1 364 . 1 1 34 34 TYR HD2 H 1 7.201 0.025 . 1 . . . . 34 TYR HD2 . 18086 1 365 . 1 1 34 34 TYR HE1 H 1 6.824 0.025 . 1 . . . . 34 TYR HE1 . 18086 1 366 . 1 1 34 34 TYR HE2 H 1 6.824 0.025 . 1 . . . . 34 TYR HE2 . 18086 1 367 . 1 1 34 34 TYR CA C 13 58.850 0.600 . 1 . . . . 34 TYR CA . 18086 1 368 . 1 1 34 34 TYR CB C 13 36.169 0.600 . 1 . . . . 34 TYR CB . 18086 1 369 . 1 1 34 34 TYR N N 15 120.565 0.140 . 1 . . . . 34 TYR N . 18086 1 370 . 1 1 35 35 ASP H H 1 8.052 0.025 . 1 . . . . 35 ASP H . 18086 1 371 . 1 1 35 35 ASP HA H 1 4.528 0.025 . 1 . . . . 35 ASP HA . 18086 1 372 . 1 1 35 35 ASP HB2 H 1 2.890 0.025 . 2 . . . . 35 ASP HB2 . 18086 1 373 . 1 1 35 35 ASP HB3 H 1 2.691 0.025 . 2 . . . . 35 ASP HB3 . 18086 1 374 . 1 1 35 35 ASP CA C 13 56.764 0.600 . 1 . . . . 35 ASP CA . 18086 1 375 . 1 1 35 35 ASP CB C 13 40.336 0.600 . 1 . . . . 35 ASP CB . 18086 1 376 . 1 1 35 35 ASP N N 15 122.206 0.140 . 1 . . . . 35 ASP N . 18086 1 377 . 1 1 36 36 MET H H 1 7.623 0.025 . 1 . . . . 36 MET H . 18086 1 378 . 1 1 36 36 MET HA H 1 4.410 0.025 . 1 . . . . 36 MET HA . 18086 1 379 . 1 1 36 36 MET HB2 H 1 2.195 0.025 . 1 . . . . 36 MET HB2 . 18086 1 380 . 1 1 36 36 MET HB3 H 1 2.195 0.025 . 1 . . . . 36 MET HB3 . 18086 1 381 . 1 1 36 36 MET HG2 H 1 1.964 0.025 . 2 . . . . 36 MET HG2 . 18086 1 382 . 1 1 36 36 MET HG3 H 1 1.870 0.025 . 2 . . . . 36 MET HG3 . 18086 1 383 . 1 1 36 36 MET HE1 H 1 1.834 0.025 . 1 . . . . 36 MET ME . 18086 1 384 . 1 1 36 36 MET HE2 H 1 1.834 0.025 . 1 . . . . 36 MET ME . 18086 1 385 . 1 1 36 36 MET HE3 H 1 1.834 0.025 . 1 . . . . 36 MET ME . 18086 1 386 . 1 1 36 36 MET CA C 13 55.790 0.600 . 1 . . . . 36 MET CA . 18086 1 387 . 1 1 36 36 MET CB C 13 33.999 0.600 . 1 . . . . 36 MET CB . 18086 1 388 . 1 1 36 36 MET CG C 13 31.945 0.600 . 1 . . . . 36 MET CG . 18086 1 389 . 1 1 36 36 MET CE C 13 16.829 0.600 . 1 . . . . 36 MET CE . 18086 1 390 . 1 1 36 36 MET N N 15 117.845 0.140 . 1 . . . . 36 MET N . 18086 1 391 . 1 1 37 37 ASN H H 1 8.009 0.025 . 1 . . . . 37 ASN H . 18086 1 392 . 1 1 37 37 ASN HA H 1 4.420 0.025 . 1 . . . . 37 ASN HA . 18086 1 393 . 1 1 37 37 ASN HB2 H 1 3.083 0.025 . 2 . . . . 37 ASN HB2 . 18086 1 394 . 1 1 37 37 ASN HB3 H 1 2.961 0.025 . 2 . . . . 37 ASN HB3 . 18086 1 395 . 1 1 37 37 ASN HD21 H 1 7.425 0.025 . 2 . . . . 37 ASN HD21 . 18086 1 396 . 1 1 37 37 ASN HD22 H 1 6.814 0.025 . 2 . . . . 37 ASN HD22 . 18086 1 397 . 1 1 37 37 ASN CA C 13 55.150 0.600 . 1 . . . . 37 ASN CA . 18086 1 398 . 1 1 37 37 ASN CB C 13 36.695 0.600 . 1 . . . . 37 ASN CB . 18086 1 399 . 1 1 37 37 ASN N N 15 110.121 0.140 . 1 . . . . 37 ASN N . 18086 1 400 . 1 1 37 37 ASN ND2 N 15 112.488 0.140 . 1 . . . . 37 ASN ND2 . 18086 1 401 . 1 1 38 38 PHE H H 1 8.028 0.025 . 1 . . . . 38 PHE H . 18086 1 402 . 1 1 38 38 PHE HA H 1 4.999 0.025 . 1 . . . . 38 PHE HA . 18086 1 403 . 1 1 38 38 PHE HB2 H 1 2.931 0.025 . 2 . . . . 38 PHE HB2 . 18086 1 404 . 1 1 38 38 PHE HB3 H 1 2.725 0.025 . 2 . . . . 38 PHE HB3 . 18086 1 405 . 1 1 38 38 PHE HD1 H 1 7.211 0.025 . 1 . . . . 38 PHE HD1 . 18086 1 406 . 1 1 38 38 PHE HD2 H 1 7.211 0.025 . 1 . . . . 38 PHE HD2 . 18086 1 407 . 1 1 38 38 PHE HE1 H 1 7.042 0.025 . 1 . . . . 38 PHE HE1 . 18086 1 408 . 1 1 38 38 PHE HE2 H 1 7.042 0.025 . 1 . . . . 38 PHE HE2 . 18086 1 409 . 1 1 38 38 PHE HZ H 1 6.878 0.025 . 1 . . . . 38 PHE HZ . 18086 1 410 . 1 1 38 38 PHE CA C 13 58.238 0.600 . 1 . . . . 38 PHE CA . 18086 1 411 . 1 1 38 38 PHE CB C 13 39.635 0.600 . 1 . . . . 38 PHE CB . 18086 1 412 . 1 1 38 38 PHE N N 15 116.508 0.140 . 1 . . . . 38 PHE N . 18086 1 413 . 1 1 39 39 SER H H 1 9.575 0.025 . 1 . . . . 39 SER H . 18086 1 414 . 1 1 39 39 SER HA H 1 5.135 0.025 . 1 . . . . 39 SER HA . 18086 1 415 . 1 1 39 39 SER HB2 H 1 3.999 0.025 . 2 . . . . 39 SER HB2 . 18086 1 416 . 1 1 39 39 SER HB3 H 1 3.832 0.025 . 2 . . . . 39 SER HB3 . 18086 1 417 . 1 1 39 39 SER CA C 13 56.502 0.600 . 1 . . . . 39 SER CA . 18086 1 418 . 1 1 39 39 SER CB C 13 66.116 0.600 . 1 . . . . 39 SER CB . 18086 1 419 . 1 1 39 39 SER N N 15 113.272 0.140 . 1 . . . . 39 SER N . 18086 1 420 . 1 1 40 40 SER H H 1 9.137 0.025 . 1 . . . . 40 SER H . 18086 1 421 . 1 1 40 40 SER HA H 1 4.757 0.025 . 1 . . . . 40 SER HA . 18086 1 422 . 1 1 40 40 SER HB2 H 1 4.275 0.025 . 2 . . . . 40 SER HB2 . 18086 1 423 . 1 1 40 40 SER HB3 H 1 3.847 0.025 . 2 . . . . 40 SER HB3 . 18086 1 424 . 1 1 40 40 SER CA C 13 59.646 0.600 . 1 . . . . 40 SER CA . 18086 1 425 . 1 1 40 40 SER CB C 13 63.809 0.600 . 1 . . . . 40 SER CB . 18086 1 426 . 1 1 40 40 SER N N 15 119.596 0.140 . 1 . . . . 40 SER N . 18086 1 427 . 1 1 41 41 ILE H H 1 7.805 0.025 . 1 . . . . 41 ILE H . 18086 1 428 . 1 1 41 41 ILE HA H 1 4.896 0.025 . 1 . . . . 41 ILE HA . 18086 1 429 . 1 1 41 41 ILE HB H 1 1.489 0.025 . 1 . . . . 41 ILE HB . 18086 1 430 . 1 1 41 41 ILE HG12 H 1 1.333 0.025 . 2 . . . . 41 ILE HG12 . 18086 1 431 . 1 1 41 41 ILE HG13 H 1 0.889 0.025 . 2 . . . . 41 ILE HG13 . 18086 1 432 . 1 1 41 41 ILE HG21 H 1 0.686 0.025 . 1 . . . . 41 ILE MG . 18086 1 433 . 1 1 41 41 ILE HG22 H 1 0.686 0.025 . 1 . . . . 41 ILE MG . 18086 1 434 . 1 1 41 41 ILE HG23 H 1 0.686 0.025 . 1 . . . . 41 ILE MG . 18086 1 435 . 1 1 41 41 ILE HD11 H 1 0.710 0.025 . 1 . . . . 41 ILE MD . 18086 1 436 . 1 1 41 41 ILE HD12 H 1 0.710 0.025 . 1 . . . . 41 ILE MD . 18086 1 437 . 1 1 41 41 ILE HD13 H 1 0.710 0.025 . 1 . . . . 41 ILE MD . 18086 1 438 . 1 1 41 41 ILE CA C 13 58.962 0.600 . 1 . . . . 41 ILE CA . 18086 1 439 . 1 1 41 41 ILE CB C 13 41.258 0.600 . 1 . . . . 41 ILE CB . 18086 1 440 . 1 1 41 41 ILE CG1 C 13 27.202 0.600 . 1 . . . . 41 ILE CG1 . 18086 1 441 . 1 1 41 41 ILE CG2 C 13 17.666 0.600 . 1 . . . . 41 ILE CG2 . 18086 1 442 . 1 1 41 41 ILE CD1 C 13 13.105 0.600 . 1 . . . . 41 ILE CD1 . 18086 1 443 . 1 1 41 41 ILE N N 15 119.312 0.140 . 1 . . . . 41 ILE N . 18086 1 444 . 1 1 42 42 VAL H H 1 8.642 0.025 . 1 . . . . 42 VAL H . 18086 1 445 . 1 1 42 42 VAL HA H 1 4.353 0.025 . 1 . . . . 42 VAL HA . 18086 1 446 . 1 1 42 42 VAL HB H 1 1.690 0.025 . 1 . . . . 42 VAL HB . 18086 1 447 . 1 1 42 42 VAL HG11 H 1 0.854 0.025 . 2 . . . . 42 VAL MG1 . 18086 1 448 . 1 1 42 42 VAL HG12 H 1 0.854 0.025 . 2 . . . . 42 VAL MG1 . 18086 1 449 . 1 1 42 42 VAL HG13 H 1 0.854 0.025 . 2 . . . . 42 VAL MG1 . 18086 1 450 . 1 1 42 42 VAL HG21 H 1 0.704 0.025 . 2 . . . . 42 VAL MG2 . 18086 1 451 . 1 1 42 42 VAL HG22 H 1 0.704 0.025 . 2 . . . . 42 VAL MG2 . 18086 1 452 . 1 1 42 42 VAL HG23 H 1 0.704 0.025 . 2 . . . . 42 VAL MG2 . 18086 1 453 . 1 1 42 42 VAL CA C 13 59.083 0.600 . 1 . . . . 42 VAL CA . 18086 1 454 . 1 1 42 42 VAL CB C 13 35.341 0.600 . 1 . . . . 42 VAL CB . 18086 1 455 . 1 1 42 42 VAL CG1 C 13 21.902 0.600 . 2 . . . . 42 VAL CG1 . 18086 1 456 . 1 1 42 42 VAL CG2 C 13 20.281 0.600 . 2 . . . . 42 VAL CG2 . 18086 1 457 . 1 1 42 42 VAL N N 15 123.108 0.140 . 1 . . . . 42 VAL N . 18086 1 458 . 1 1 43 43 ALA H H 1 8.283 0.025 . 1 . . . . 43 ALA H . 18086 1 459 . 1 1 43 43 ALA HA H 1 4.626 0.025 . 1 . . . . 43 ALA HA . 18086 1 460 . 1 1 43 43 ALA HB1 H 1 1.101 0.025 . 1 . . . . 43 ALA MB . 18086 1 461 . 1 1 43 43 ALA HB2 H 1 1.101 0.025 . 1 . . . . 43 ALA MB . 18086 1 462 . 1 1 43 43 ALA HB3 H 1 1.101 0.025 . 1 . . . . 43 ALA MB . 18086 1 463 . 1 1 43 43 ALA CA C 13 51.014 0.600 . 1 . . . . 43 ALA CA . 18086 1 464 . 1 1 43 43 ALA CB C 13 19.262 0.600 . 1 . . . . 43 ALA CB . 18086 1 465 . 1 1 43 43 ALA N N 15 128.705 0.140 . 1 . . . . 43 ALA N . 18086 1 466 . 1 1 44 44 ASP H H 1 7.812 0.025 . 1 . . . . 44 ASP H . 18086 1 467 . 1 1 44 44 ASP HA H 1 4.161 0.025 . 1 . . . . 44 ASP HA . 18086 1 468 . 1 1 44 44 ASP HB3 H 1 1.954 0.025 . 1 . . . . 44 ASP HB3 . 18086 1 469 . 1 1 44 44 ASP CA C 13 51.964 0.600 . 1 . . . . 44 ASP CA . 18086 1 470 . 1 1 44 44 ASP CB C 13 41.243 0.600 . 1 . . . . 44 ASP CB . 18086 1 471 . 1 1 44 44 ASP N N 15 120.713 0.140 . 1 . . . . 44 ASP N . 18086 1 472 . 1 1 45 45 GLU H H 1 8.961 0.025 . 1 . . . . 45 GLU H . 18086 1 473 . 1 1 45 45 GLU HA H 1 3.916 0.025 . 1 . . . . 45 GLU HA . 18086 1 474 . 1 1 45 45 GLU HB2 H 1 1.679 0.025 . 1 . . . . 45 GLU HB2 . 18086 1 475 . 1 1 45 45 GLU HB3 H 1 1.679 0.025 . 1 . . . . 45 GLU HB3 . 18086 1 476 . 1 1 45 45 GLU HG2 H 1 1.466 0.025 . 2 . . . . 45 GLU HG2 . 18086 1 477 . 1 1 45 45 GLU HG3 H 1 1.330 0.025 . 2 . . . . 45 GLU HG3 . 18086 1 478 . 1 1 45 45 GLU CA C 13 58.089 0.600 . 1 . . . . 45 GLU CA . 18086 1 479 . 1 1 45 45 GLU CB C 13 28.456 0.600 . 1 . . . . 45 GLU CB . 18086 1 480 . 1 1 45 45 GLU CG C 13 34.731 0.600 . 1 . . . . 45 GLU CG . 18086 1 481 . 1 1 45 45 GLU N N 15 117.075 0.140 . 1 . . . . 45 GLU N . 18086 1 482 . 1 1 46 46 TYR H H 1 8.081 0.025 . 1 . . . . 46 TYR H . 18086 1 483 . 1 1 46 46 TYR HA H 1 4.481 0.025 . 1 . . . . 46 TYR HA . 18086 1 484 . 1 1 46 46 TYR HB2 H 1 3.227 0.025 . 2 . . . . 46 TYR HB2 . 18086 1 485 . 1 1 46 46 TYR HB3 H 1 2.852 0.025 . 2 . . . . 46 TYR HB3 . 18086 1 486 . 1 1 46 46 TYR HD1 H 1 7.018 0.025 . 1 . . . . 46 TYR HD1 . 18086 1 487 . 1 1 46 46 TYR HD2 H 1 7.018 0.025 . 1 . . . . 46 TYR HD2 . 18086 1 488 . 1 1 46 46 TYR HE1 H 1 6.693 0.025 . 1 . . . . 46 TYR HE1 . 18086 1 489 . 1 1 46 46 TYR HE2 H 1 6.693 0.025 . 1 . . . . 46 TYR HE2 . 18086 1 490 . 1 1 46 46 TYR CA C 13 57.030 0.600 . 1 . . . . 46 TYR CA . 18086 1 491 . 1 1 46 46 TYR CB C 13 37.819 0.600 . 1 . . . . 46 TYR CB . 18086 1 492 . 1 1 46 46 TYR N N 15 120.060 0.140 . 1 . . . . 46 TYR N . 18086 1 493 . 1 1 47 47 GLY H H 1 8.241 0.025 . 1 . . . . 47 GLY H . 18086 1 494 . 1 1 47 47 GLY HA2 H 1 4.090 0.025 . 2 . . . . 47 GLY HA2 . 18086 1 495 . 1 1 47 47 GLY HA3 H 1 3.489 0.025 . 2 . . . . 47 GLY HA3 . 18086 1 496 . 1 1 47 47 GLY CA C 13 45.082 0.600 . 1 . . . . 47 GLY CA . 18086 1 497 . 1 1 47 47 GLY N N 15 108.741 0.140 . 1 . . . . 47 GLY N . 18086 1 498 . 1 1 48 48 ILE H H 1 8.290 0.025 . 1 . . . . 48 ILE H . 18086 1 499 . 1 1 48 48 ILE HA H 1 4.233 0.025 . 1 . . . . 48 ILE HA . 18086 1 500 . 1 1 48 48 ILE HB H 1 2.125 0.025 . 1 . . . . 48 ILE HB . 18086 1 501 . 1 1 48 48 ILE HG12 H 1 1.944 0.025 . 2 . . . . 48 ILE HG12 . 18086 1 502 . 1 1 48 48 ILE HG13 H 1 1.092 0.025 . 2 . . . . 48 ILE HG13 . 18086 1 503 . 1 1 48 48 ILE HG21 H 1 0.714 0.025 . 1 . . . . 48 ILE MG . 18086 1 504 . 1 1 48 48 ILE HG22 H 1 0.714 0.025 . 1 . . . . 48 ILE MG . 18086 1 505 . 1 1 48 48 ILE HG23 H 1 0.714 0.025 . 1 . . . . 48 ILE MG . 18086 1 506 . 1 1 48 48 ILE HD11 H 1 0.705 0.025 . 1 . . . . 48 ILE MD . 18086 1 507 . 1 1 48 48 ILE HD12 H 1 0.705 0.025 . 1 . . . . 48 ILE MD . 18086 1 508 . 1 1 48 48 ILE HD13 H 1 0.705 0.025 . 1 . . . . 48 ILE MD . 18086 1 509 . 1 1 48 48 ILE CA C 13 57.846 0.600 . 1 . . . . 48 ILE CA . 18086 1 510 . 1 1 48 48 ILE CB C 13 37.464 0.600 . 1 . . . . 48 ILE CB . 18086 1 511 . 1 1 48 48 ILE CG1 C 13 27.390 0.600 . 1 . . . . 48 ILE CG1 . 18086 1 512 . 1 1 48 48 ILE CG2 C 13 15.970 0.600 . 1 . . . . 48 ILE CG2 . 18086 1 513 . 1 1 48 48 ILE CD1 C 13 11.554 0.600 . 1 . . . . 48 ILE CD1 . 18086 1 514 . 1 1 48 48 ILE N N 15 126.152 0.140 . 1 . . . . 48 ILE N . 18086 1 515 . 1 1 49 49 PRO HA H 1 4.215 0.025 . 1 . . . . 49 PRO HA . 18086 1 516 . 1 1 49 49 PRO HB2 H 1 1.984 0.025 . 2 . . . . 49 PRO HB2 . 18086 1 517 . 1 1 49 49 PRO HB3 H 1 1.719 0.025 . 2 . . . . 49 PRO HB3 . 18086 1 518 . 1 1 49 49 PRO HG2 H 1 2.033 0.025 . 2 . . . . 49 PRO HG2 . 18086 1 519 . 1 1 49 49 PRO HG3 H 1 1.810 0.025 . 2 . . . . 49 PRO HG3 . 18086 1 520 . 1 1 49 49 PRO HD2 H 1 3.957 0.025 . 2 . . . . 49 PRO HD2 . 18086 1 521 . 1 1 49 49 PRO HD3 H 1 3.608 0.025 . 2 . . . . 49 PRO HD3 . 18086 1 522 . 1 1 49 49 PRO CA C 13 62.594 0.600 . 1 . . . . 49 PRO CA . 18086 1 523 . 1 1 49 49 PRO CB C 13 31.880 0.600 . 1 . . . . 49 PRO CB . 18086 1 524 . 1 1 49 49 PRO CG C 13 27.408 0.600 . 1 . . . . 49 PRO CG . 18086 1 525 . 1 1 49 49 PRO CD C 13 51.041 0.600 . 1 . . . . 49 PRO CD . 18086 1 526 . 1 1 50 50 ARG H H 1 8.955 0.025 . 1 . . . . 50 ARG H . 18086 1 527 . 1 1 50 50 ARG HA H 1 4.534 0.025 . 1 . . . . 50 ARG HA . 18086 1 528 . 1 1 50 50 ARG HB2 H 1 1.767 0.025 . 1 . . . . 50 ARG HB2 . 18086 1 529 . 1 1 50 50 ARG HB3 H 1 1.767 0.025 . 1 . . . . 50 ARG HB3 . 18086 1 530 . 1 1 50 50 ARG HG2 H 1 1.769 0.025 . 2 . . . . 50 ARG HG2 . 18086 1 531 . 1 1 50 50 ARG HG3 H 1 1.390 0.025 . 2 . . . . 50 ARG HG3 . 18086 1 532 . 1 1 50 50 ARG HD2 H 1 2.981 0.025 . 2 . . . . 50 ARG HD2 . 18086 1 533 . 1 1 50 50 ARG HD3 H 1 2.806 0.025 . 2 . . . . 50 ARG HD3 . 18086 1 534 . 1 1 50 50 ARG CA C 13 53.059 0.600 . 1 . . . . 50 ARG CA . 18086 1 535 . 1 1 50 50 ARG CB C 13 31.720 0.600 . 1 . . . . 50 ARG CB . 18086 1 536 . 1 1 50 50 ARG CG C 13 25.929 0.600 . 1 . . . . 50 ARG CG . 18086 1 537 . 1 1 50 50 ARG CD C 13 42.535 0.600 . 1 . . . . 50 ARG CD . 18086 1 538 . 1 1 50 50 ARG N N 15 124.248 0.140 . 1 . . . . 50 ARG N . 18086 1 539 . 1 1 51 51 GLN H H 1 8.457 0.025 . 1 . . . . 51 GLN H . 18086 1 540 . 1 1 51 51 GLN HA H 1 4.373 0.025 . 1 . . . . 51 GLN HA . 18086 1 541 . 1 1 51 51 GLN HB2 H 1 1.937 0.025 . 2 . . . . 51 GLN HB2 . 18086 1 542 . 1 1 51 51 GLN HB3 H 1 1.931 0.025 . 2 . . . . 51 GLN HB3 . 18086 1 543 . 1 1 51 51 GLN HG2 H 1 2.372 0.025 . 2 . . . . 51 GLN HG2 . 18086 1 544 . 1 1 51 51 GLN HG3 H 1 2.288 0.025 . 2 . . . . 51 GLN HG3 . 18086 1 545 . 1 1 51 51 GLN HE21 H 1 7.545 0.025 . 2 . . . . 51 GLN HE21 . 18086 1 546 . 1 1 51 51 GLN HE22 H 1 6.660 0.025 . 2 . . . . 51 GLN HE22 . 18086 1 547 . 1 1 51 51 GLN CA C 13 55.293 0.600 . 1 . . . . 51 GLN CA . 18086 1 548 . 1 1 51 51 GLN CB C 13 29.129 0.600 . 1 . . . . 51 GLN CB . 18086 1 549 . 1 1 51 51 GLN CG C 13 33.277 0.600 . 1 . . . . 51 GLN CG . 18086 1 550 . 1 1 51 51 GLN N N 15 122.160 0.140 . 1 . . . . 51 GLN N . 18086 1 551 . 1 1 51 51 GLN NE2 N 15 112.626 0.140 . 1 . . . . 51 GLN NE2 . 18086 1 552 . 1 1 52 52 LEU H H 1 8.598 0.025 . 1 . . . . 52 LEU H . 18086 1 553 . 1 1 52 52 LEU HA H 1 4.336 0.025 . 1 . . . . 52 LEU HA . 18086 1 554 . 1 1 52 52 LEU HB2 H 1 1.570 0.025 . 2 . . . . 52 LEU HB2 . 18086 1 555 . 1 1 52 52 LEU HB3 H 1 1.144 0.025 . 2 . . . . 52 LEU HB3 . 18086 1 556 . 1 1 52 52 LEU HG H 1 1.327 0.025 . 1 . . . . 52 LEU HG . 18086 1 557 . 1 1 52 52 LEU HD11 H 1 0.448 0.025 . 2 . . . . 52 LEU MD1 . 18086 1 558 . 1 1 52 52 LEU HD12 H 1 0.448 0.025 . 2 . . . . 52 LEU MD1 . 18086 1 559 . 1 1 52 52 LEU HD13 H 1 0.448 0.025 . 2 . . . . 52 LEU MD1 . 18086 1 560 . 1 1 52 52 LEU HD21 H 1 0.405 0.025 . 2 . . . . 52 LEU MD2 . 18086 1 561 . 1 1 52 52 LEU HD22 H 1 0.405 0.025 . 2 . . . . 52 LEU MD2 . 18086 1 562 . 1 1 52 52 LEU HD23 H 1 0.405 0.025 . 2 . . . . 52 LEU MD2 . 18086 1 563 . 1 1 52 52 LEU CA C 13 54.187 0.600 . 1 . . . . 52 LEU CA . 18086 1 564 . 1 1 52 52 LEU CB C 13 42.973 0.600 . 1 . . . . 52 LEU CB . 18086 1 565 . 1 1 52 52 LEU CG C 13 27.204 0.600 . 1 . . . . 52 LEU CG . 18086 1 566 . 1 1 52 52 LEU CD1 C 13 26.344 0.600 . 2 . . . . 52 LEU CD1 . 18086 1 567 . 1 1 52 52 LEU CD2 C 13 23.305 0.600 . 2 . . . . 52 LEU CD2 . 18086 1 568 . 1 1 52 52 LEU N N 15 128.108 0.140 . 1 . . . . 52 LEU N . 18086 1 569 . 1 1 53 53 ASN H H 1 8.113 0.025 . 1 . . . . 53 ASN H . 18086 1 570 . 1 1 53 53 ASN HA H 1 4.497 0.025 . 1 . . . . 53 ASN HA . 18086 1 571 . 1 1 53 53 ASN HB2 H 1 2.948 0.025 . 1 . . . . 53 ASN HB2 . 18086 1 572 . 1 1 53 53 ASN HB3 H 1 2.948 0.025 . 1 . . . . 53 ASN HB3 . 18086 1 573 . 1 1 53 53 ASN HD21 H 1 7.640 0.025 . 2 . . . . 53 ASN HD21 . 18086 1 574 . 1 1 53 53 ASN HD22 H 1 6.966 0.025 . 2 . . . . 53 ASN HD22 . 18086 1 575 . 1 1 53 53 ASN CA C 13 52.954 0.600 . 1 . . . . 53 ASN CA . 18086 1 576 . 1 1 53 53 ASN CB C 13 38.323 0.600 . 1 . . . . 53 ASN CB . 18086 1 577 . 1 1 53 53 ASN N N 15 118.154 0.140 . 1 . . . . 53 ASN N . 18086 1 578 . 1 1 53 53 ASN ND2 N 15 113.278 0.140 . 1 . . . . 53 ASN ND2 . 18086 1 579 . 1 1 54 54 GLU H H 1 8.521 0.025 . 1 . . . . 54 GLU H . 18086 1 580 . 1 1 54 54 GLU HA H 1 4.008 0.025 . 1 . . . . 54 GLU HA . 18086 1 581 . 1 1 54 54 GLU HB2 H 1 1.979 0.025 . 1 . . . . 54 GLU HB2 . 18086 1 582 . 1 1 54 54 GLU HB3 H 1 1.979 0.025 . 1 . . . . 54 GLU HB3 . 18086 1 583 . 1 1 54 54 GLU HG2 H 1 2.242 0.025 . 1 . . . . 54 GLU HG2 . 18086 1 584 . 1 1 54 54 GLU HG3 H 1 2.242 0.025 . 1 . . . . 54 GLU HG3 . 18086 1 585 . 1 1 54 54 GLU CA C 13 58.577 0.600 . 1 . . . . 54 GLU CA . 18086 1 586 . 1 1 54 54 GLU CB C 13 29.601 0.600 . 1 . . . . 54 GLU CB . 18086 1 587 . 1 1 54 54 GLU CG C 13 35.894 0.600 . 1 . . . . 54 GLU CG . 18086 1 588 . 1 1 54 54 GLU N N 15 116.388 0.140 . 1 . . . . 54 GLU N . 18086 1 589 . 1 1 55 55 ASN H H 1 7.988 0.025 . 1 . . . . 55 ASN H . 18086 1 590 . 1 1 55 55 ASN HA H 1 4.946 0.025 . 1 . . . . 55 ASN HA . 18086 1 591 . 1 1 55 55 ASN HB2 H 1 3.205 0.025 . 2 . . . . 55 ASN HB2 . 18086 1 592 . 1 1 55 55 ASN HB3 H 1 3.102 0.025 . 2 . . . . 55 ASN HB3 . 18086 1 593 . 1 1 55 55 ASN HD21 H 1 7.470 0.025 . 2 . . . . 55 ASN HD21 . 18086 1 594 . 1 1 55 55 ASN HD22 H 1 6.711 0.025 . 2 . . . . 55 ASN HD22 . 18086 1 595 . 1 1 55 55 ASN CA C 13 53.014 0.600 . 1 . . . . 55 ASN CA . 18086 1 596 . 1 1 55 55 ASN CB C 13 38.513 0.600 . 1 . . . . 55 ASN CB . 18086 1 597 . 1 1 55 55 ASN N N 15 114.767 0.140 . 1 . . . . 55 ASN N . 18086 1 598 . 1 1 55 55 ASN ND2 N 15 113.360 0.140 . 1 . . . . 55 ASN ND2 . 18086 1 599 . 1 1 56 56 SER H H 1 7.478 0.025 . 1 . . . . 56 SER H . 18086 1 600 . 1 1 56 56 SER HA H 1 5.891 0.025 . 1 . . . . 56 SER HA . 18086 1 601 . 1 1 56 56 SER HB2 H 1 3.318 0.025 . 1 . . . . 56 SER HB2 . 18086 1 602 . 1 1 56 56 SER HB3 H 1 3.318 0.025 . 1 . . . . 56 SER HB3 . 18086 1 603 . 1 1 56 56 SER CA C 13 58.002 0.600 . 1 . . . . 56 SER CA . 18086 1 604 . 1 1 56 56 SER CB C 13 66.309 0.600 . 1 . . . . 56 SER CB . 18086 1 605 . 1 1 56 56 SER N N 15 115.278 0.140 . 1 . . . . 56 SER N . 18086 1 606 . 1 1 57 57 PHE H H 1 8.962 0.025 . 1 . . . . 57 PHE H . 18086 1 607 . 1 1 57 57 PHE HA H 1 4.922 0.025 . 1 . . . . 57 PHE HA . 18086 1 608 . 1 1 57 57 PHE HB2 H 1 3.126 0.025 . 2 . . . . 57 PHE HB2 . 18086 1 609 . 1 1 57 57 PHE HB3 H 1 2.412 0.025 . 2 . . . . 57 PHE HB3 . 18086 1 610 . 1 1 57 57 PHE HD1 H 1 6.884 0.025 . 1 . . . . 57 PHE HD1 . 18086 1 611 . 1 1 57 57 PHE HD2 H 1 6.884 0.025 . 1 . . . . 57 PHE HD2 . 18086 1 612 . 1 1 57 57 PHE CA C 13 56.408 0.600 . 1 . . . . 57 PHE CA . 18086 1 613 . 1 1 57 57 PHE CB C 13 45.194 0.600 . 1 . . . . 57 PHE CB . 18086 1 614 . 1 1 57 57 PHE N N 15 117.576 0.140 . 1 . . . . 57 PHE N . 18086 1 615 . 1 1 58 58 ALA H H 1 9.617 0.025 . 1 . . . . 58 ALA H . 18086 1 616 . 1 1 58 58 ALA HA H 1 5.978 0.025 . 1 . . . . 58 ALA HA . 18086 1 617 . 1 1 58 58 ALA HB1 H 1 1.190 0.025 . 1 . . . . 58 ALA MB . 18086 1 618 . 1 1 58 58 ALA HB2 H 1 1.190 0.025 . 1 . . . . 58 ALA MB . 18086 1 619 . 1 1 58 58 ALA HB3 H 1 1.190 0.025 . 1 . . . . 58 ALA MB . 18086 1 620 . 1 1 58 58 ALA CA C 13 49.961 0.600 . 1 . . . . 58 ALA CA . 18086 1 621 . 1 1 58 58 ALA CB C 13 22.910 0.600 . 1 . . . . 58 ALA CB . 18086 1 622 . 1 1 58 58 ALA N N 15 123.491 0.140 . 1 . . . . 58 ALA N . 18086 1 623 . 1 1 59 59 ILE H H 1 8.758 0.025 . 1 . . . . 59 ILE H . 18086 1 624 . 1 1 59 59 ILE HA H 1 4.515 0.025 . 1 . . . . 59 ILE HA . 18086 1 625 . 1 1 59 59 ILE HB H 1 0.940 0.025 . 1 . . . . 59 ILE HB . 18086 1 626 . 1 1 59 59 ILE HG12 H 1 0.551 0.025 . 1 . . . . 59 ILE HG12 . 18086 1 627 . 1 1 59 59 ILE HG13 H 1 0.551 0.025 . 1 . . . . 59 ILE HG13 . 18086 1 628 . 1 1 59 59 ILE HG21 H 1 0.645 0.025 . 1 . . . . 59 ILE MG . 18086 1 629 . 1 1 59 59 ILE HG22 H 1 0.645 0.025 . 1 . . . . 59 ILE MG . 18086 1 630 . 1 1 59 59 ILE HG23 H 1 0.645 0.025 . 1 . . . . 59 ILE MG . 18086 1 631 . 1 1 59 59 ILE HD11 H 1 0.117 0.025 . 1 . . . . 59 ILE MD . 18086 1 632 . 1 1 59 59 ILE HD12 H 1 0.117 0.025 . 1 . . . . 59 ILE MD . 18086 1 633 . 1 1 59 59 ILE HD13 H 1 0.117 0.025 . 1 . . . . 59 ILE MD . 18086 1 634 . 1 1 59 59 ILE CA C 13 59.539 0.600 . 1 . . . . 59 ILE CA . 18086 1 635 . 1 1 59 59 ILE CB C 13 40.808 0.600 . 1 . . . . 59 ILE CB . 18086 1 636 . 1 1 59 59 ILE CG1 C 13 28.824 0.600 . 1 . . . . 59 ILE CG1 . 18086 1 637 . 1 1 59 59 ILE CG2 C 13 15.973 0.600 . 1 . . . . 59 ILE CG2 . 18086 1 638 . 1 1 59 59 ILE CD1 C 13 13.195 0.600 . 1 . . . . 59 ILE CD1 . 18086 1 639 . 1 1 59 59 ILE N N 15 118.245 0.140 . 1 . . . . 59 ILE N . 18086 1 640 . 1 1 60 60 THR H H 1 8.278 0.025 . 1 . . . . 60 THR H . 18086 1 641 . 1 1 60 60 THR HA H 1 5.327 0.025 . 1 . . . . 60 THR HA . 18086 1 642 . 1 1 60 60 THR HB H 1 3.772 0.025 . 1 . . . . 60 THR HB . 18086 1 643 . 1 1 60 60 THR HG21 H 1 0.989 0.025 . 1 . . . . 60 THR MG . 18086 1 644 . 1 1 60 60 THR HG22 H 1 0.989 0.025 . 1 . . . . 60 THR MG . 18086 1 645 . 1 1 60 60 THR HG23 H 1 0.989 0.025 . 1 . . . . 60 THR MG . 18086 1 646 . 1 1 60 60 THR CA C 13 61.759 0.600 . 1 . . . . 60 THR CA . 18086 1 647 . 1 1 60 60 THR CB C 13 69.481 0.600 . 1 . . . . 60 THR CB . 18086 1 648 . 1 1 60 60 THR CG2 C 13 21.428 0.600 . 1 . . . . 60 THR CG2 . 18086 1 649 . 1 1 60 60 THR N N 15 125.114 0.140 . 1 . . . . 60 THR N . 18086 1 650 . 1 1 61 61 THR H H 1 9.260 0.025 . 1 . . . . 61 THR H . 18086 1 651 . 1 1 61 61 THR HA H 1 4.835 0.025 . 1 . . . . 61 THR HA . 18086 1 652 . 1 1 61 61 THR HB H 1 3.995 0.025 . 1 . . . . 61 THR HB . 18086 1 653 . 1 1 61 61 THR HG21 H 1 1.201 0.025 . 1 . . . . 61 THR MG . 18086 1 654 . 1 1 61 61 THR HG22 H 1 1.201 0.025 . 1 . . . . 61 THR MG . 18086 1 655 . 1 1 61 61 THR HG23 H 1 1.201 0.025 . 1 . . . . 61 THR MG . 18086 1 656 . 1 1 61 61 THR CA C 13 59.794 0.600 . 1 . . . . 61 THR CA . 18086 1 657 . 1 1 61 61 THR CB C 13 68.122 0.600 . 1 . . . . 61 THR CB . 18086 1 658 . 1 1 61 61 THR CG2 C 13 19.662 0.600 . 1 . . . . 61 THR CG2 . 18086 1 659 . 1 1 61 61 THR N N 15 121.537 0.140 . 1 . . . . 61 THR N . 18086 1 660 . 1 1 62 62 SER H H 1 8.233 0.025 . 1 . . . . 62 SER H . 18086 1 661 . 1 1 62 62 SER HA H 1 4.648 0.025 . 1 . . . . 62 SER HA . 18086 1 662 . 1 1 62 62 SER HB2 H 1 3.803 0.025 . 2 . . . . 62 SER HB2 . 18086 1 663 . 1 1 62 62 SER HB3 H 1 3.088 0.025 . 2 . . . . 62 SER HB3 . 18086 1 664 . 1 1 62 62 SER CA C 13 58.159 0.600 . 1 . . . . 62 SER CA . 18086 1 665 . 1 1 62 62 SER CB C 13 63.420 0.600 . 1 . . . . 62 SER CB . 18086 1 666 . 1 1 62 62 SER N N 15 121.691 0.140 . 1 . . . . 62 SER N . 18086 1 667 . 1 1 63 63 LEU H H 1 8.320 0.025 . 1 . . . . 63 LEU H . 18086 1 668 . 1 1 63 63 LEU HA H 1 4.135 0.025 . 1 . . . . 63 LEU HA . 18086 1 669 . 1 1 63 63 LEU HB2 H 1 1.471 0.025 . 1 . . . . 63 LEU HB2 . 18086 1 670 . 1 1 63 63 LEU HB3 H 1 1.471 0.025 . 1 . . . . 63 LEU HB3 . 18086 1 671 . 1 1 63 63 LEU HG H 1 1.596 0.025 . 1 . . . . 63 LEU HG . 18086 1 672 . 1 1 63 63 LEU HD11 H 1 0.694 0.025 . 2 . . . . 63 LEU MD1 . 18086 1 673 . 1 1 63 63 LEU HD12 H 1 0.694 0.025 . 2 . . . . 63 LEU MD1 . 18086 1 674 . 1 1 63 63 LEU HD13 H 1 0.694 0.025 . 2 . . . . 63 LEU MD1 . 18086 1 675 . 1 1 63 63 LEU HD21 H 1 0.704 0.025 . 2 . . . . 63 LEU MD2 . 18086 1 676 . 1 1 63 63 LEU HD22 H 1 0.704 0.025 . 2 . . . . 63 LEU MD2 . 18086 1 677 . 1 1 63 63 LEU HD23 H 1 0.704 0.025 . 2 . . . . 63 LEU MD2 . 18086 1 678 . 1 1 63 63 LEU CA C 13 55.479 0.600 . 1 . . . . 63 LEU CA . 18086 1 679 . 1 1 63 63 LEU CB C 13 41.789 0.600 . 1 . . . . 63 LEU CB . 18086 1 680 . 1 1 63 63 LEU CG C 13 26.937 0.600 . 1 . . . . 63 LEU CG . 18086 1 681 . 1 1 63 63 LEU CD1 C 13 24.914 0.600 . 2 . . . . 63 LEU CD1 . 18086 1 682 . 1 1 63 63 LEU CD2 C 13 22.453 0.600 . 2 . . . . 63 LEU CD2 . 18086 1 683 . 1 1 63 63 LEU N N 15 125.906 0.140 . 1 . . . . 63 LEU N . 18086 1 684 . 1 1 64 64 ALA H H 1 8.862 0.025 . 1 . . . . 64 ALA H . 18086 1 685 . 1 1 64 64 ALA HA H 1 4.417 0.025 . 1 . . . . 64 ALA HA . 18086 1 686 . 1 1 64 64 ALA HB1 H 1 1.437 0.025 . 1 . . . . 64 ALA MB . 18086 1 687 . 1 1 64 64 ALA HB2 H 1 1.437 0.025 . 1 . . . . 64 ALA MB . 18086 1 688 . 1 1 64 64 ALA HB3 H 1 1.437 0.025 . 1 . . . . 64 ALA MB . 18086 1 689 . 1 1 64 64 ALA CA C 13 50.764 0.600 . 1 . . . . 64 ALA CA . 18086 1 690 . 1 1 64 64 ALA CB C 13 19.722 0.600 . 1 . . . . 64 ALA CB . 18086 1 691 . 1 1 64 64 ALA N N 15 122.529 0.140 . 1 . . . . 64 ALA N . 18086 1 692 . 1 1 65 65 ALA H H 1 8.565 0.025 . 1 . . . . 65 ALA H . 18086 1 693 . 1 1 65 65 ALA HA H 1 3.231 0.025 . 1 . . . . 65 ALA HA . 18086 1 694 . 1 1 65 65 ALA HB1 H 1 1.121 0.025 . 1 . . . . 65 ALA MB . 18086 1 695 . 1 1 65 65 ALA HB2 H 1 1.121 0.025 . 1 . . . . 65 ALA MB . 18086 1 696 . 1 1 65 65 ALA HB3 H 1 1.121 0.025 . 1 . . . . 65 ALA MB . 18086 1 697 . 1 1 65 65 ALA CA C 13 56.079 0.600 . 1 . . . . 65 ALA CA . 18086 1 698 . 1 1 65 65 ALA CB C 13 17.519 0.600 . 1 . . . . 65 ALA CB . 18086 1 699 . 1 1 65 65 ALA N N 15 123.946 0.140 . 1 . . . . 65 ALA N . 18086 1 700 . 1 1 66 66 SER H H 1 8.408 0.025 . 1 . . . . 66 SER H . 18086 1 701 . 1 1 66 66 SER HA H 1 3.719 0.025 . 1 . . . . 66 SER HA . 18086 1 702 . 1 1 66 66 SER HB2 H 1 3.717 0.025 . 1 . . . . 66 SER HB2 . 18086 1 703 . 1 1 66 66 SER HB3 H 1 3.717 0.025 . 1 . . . . 66 SER HB3 . 18086 1 704 . 1 1 66 66 SER CA C 13 60.774 0.600 . 1 . . . . 66 SER CA . 18086 1 705 . 1 1 66 66 SER CB C 13 61.711 0.600 . 1 . . . . 66 SER CB . 18086 1 706 . 1 1 66 66 SER N N 15 110.476 0.140 . 1 . . . . 66 SER N . 18086 1 707 . 1 1 67 67 GLU H H 1 6.826 0.025 . 1 . . . . 67 GLU H . 18086 1 708 . 1 1 67 67 GLU HA H 1 4.126 0.025 . 1 . . . . 67 GLU HA . 18086 1 709 . 1 1 67 67 GLU HB2 H 1 2.443 0.025 . 2 . . . . 67 GLU HB2 . 18086 1 710 . 1 1 67 67 GLU HB3 H 1 1.973 0.025 . 2 . . . . 67 GLU HB3 . 18086 1 711 . 1 1 67 67 GLU HG2 H 1 2.218 0.025 . 1 . . . . 67 GLU HG2 . 18086 1 712 . 1 1 67 67 GLU HG3 H 1 2.218 0.025 . 1 . . . . 67 GLU HG3 . 18086 1 713 . 1 1 67 67 GLU CA C 13 58.105 0.600 . 1 . . . . 67 GLU CA . 18086 1 714 . 1 1 67 67 GLU CB C 13 30.435 0.600 . 1 . . . . 67 GLU CB . 18086 1 715 . 1 1 67 67 GLU CG C 13 37.593 0.600 . 1 . . . . 67 GLU CG . 18086 1 716 . 1 1 67 67 GLU N N 15 121.493 0.140 . 1 . . . . 67 GLU N . 18086 1 717 . 1 1 68 68 ILE H H 1 7.875 0.025 . 1 . . . . 68 ILE H . 18086 1 718 . 1 1 68 68 ILE HA H 1 3.621 0.025 . 1 . . . . 68 ILE HA . 18086 1 719 . 1 1 68 68 ILE HB H 1 1.905 0.025 . 1 . . . . 68 ILE HB . 18086 1 720 . 1 1 68 68 ILE HG12 H 1 1.394 0.025 . 1 . . . . 68 ILE HG12 . 18086 1 721 . 1 1 68 68 ILE HG13 H 1 1.394 0.025 . 1 . . . . 68 ILE HG13 . 18086 1 722 . 1 1 68 68 ILE HG21 H 1 0.814 0.025 . 1 . . . . 68 ILE MG . 18086 1 723 . 1 1 68 68 ILE HG22 H 1 0.814 0.025 . 1 . . . . 68 ILE MG . 18086 1 724 . 1 1 68 68 ILE HG23 H 1 0.814 0.025 . 1 . . . . 68 ILE MG . 18086 1 725 . 1 1 68 68 ILE HD11 H 1 0.329 0.025 . 1 . . . . 68 ILE MD . 18086 1 726 . 1 1 68 68 ILE HD12 H 1 0.329 0.025 . 1 . . . . 68 ILE MD . 18086 1 727 . 1 1 68 68 ILE HD13 H 1 0.329 0.025 . 1 . . . . 68 ILE MD . 18086 1 728 . 1 1 68 68 ILE CA C 13 63.834 0.600 . 1 . . . . 68 ILE CA . 18086 1 729 . 1 1 68 68 ILE CB C 13 36.723 0.600 . 1 . . . . 68 ILE CB . 18086 1 730 . 1 1 68 68 ILE CG1 C 13 28.071 0.600 . 1 . . . . 68 ILE CG1 . 18086 1 731 . 1 1 68 68 ILE CG2 C 13 17.703 0.600 . 1 . . . . 68 ILE CG2 . 18086 1 732 . 1 1 68 68 ILE CD1 C 13 12.411 0.600 . 1 . . . . 68 ILE CD1 . 18086 1 733 . 1 1 68 68 ILE N N 15 122.313 0.140 . 1 . . . . 68 ILE N . 18086 1 734 . 1 1 69 69 GLU H H 1 7.835 0.025 . 1 . . . . 69 GLU H . 18086 1 735 . 1 1 69 69 GLU HA H 1 3.540 0.025 . 1 . . . . 69 GLU HA . 18086 1 736 . 1 1 69 69 GLU HB2 H 1 1.924 0.025 . 1 . . . . 69 GLU HB2 . 18086 1 737 . 1 1 69 69 GLU HB3 H 1 1.924 0.025 . 1 . . . . 69 GLU HB3 . 18086 1 738 . 1 1 69 69 GLU HG2 H 1 2.205 0.025 . 2 . . . . 69 GLU HG2 . 18086 1 739 . 1 1 69 69 GLU HG3 H 1 2.057 0.025 . 2 . . . . 69 GLU HG3 . 18086 1 740 . 1 1 69 69 GLU CA C 13 60.455 0.600 . 1 . . . . 69 GLU CA . 18086 1 741 . 1 1 69 69 GLU CB C 13 27.961 0.600 . 1 . . . . 69 GLU CB . 18086 1 742 . 1 1 69 69 GLU CG C 13 35.934 0.600 . 1 . . . . 69 GLU CG . 18086 1 743 . 1 1 69 69 GLU N N 15 119.814 0.140 . 1 . . . . 69 GLU N . 18086 1 744 . 1 1 70 70 ASP H H 1 7.773 0.025 . 1 . . . . 70 ASP H . 18086 1 745 . 1 1 70 70 ASP HA H 1 4.233 0.025 . 1 . . . . 70 ASP HA . 18086 1 746 . 1 1 70 70 ASP HB2 H 1 2.667 0.025 . 2 . . . . 70 ASP HB2 . 18086 1 747 . 1 1 70 70 ASP HB3 H 1 2.555 0.025 . 2 . . . . 70 ASP HB3 . 18086 1 748 . 1 1 70 70 ASP CA C 13 57.288 0.600 . 1 . . . . 70 ASP CA . 18086 1 749 . 1 1 70 70 ASP CB C 13 40.315 0.600 . 1 . . . . 70 ASP CB . 18086 1 750 . 1 1 70 70 ASP N N 15 117.475 0.140 . 1 . . . . 70 ASP N . 18086 1 751 . 1 1 71 71 LEU H H 1 7.684 0.025 . 1 . . . . 71 LEU H . 18086 1 752 . 1 1 71 71 LEU HA H 1 4.068 0.025 . 1 . . . . 71 LEU HA . 18086 1 753 . 1 1 71 71 LEU HB2 H 1 1.933 0.025 . 2 . . . . 71 LEU HB2 . 18086 1 754 . 1 1 71 71 LEU HB3 H 1 1.672 0.025 . 2 . . . . 71 LEU HB3 . 18086 1 755 . 1 1 71 71 LEU HG H 1 1.653 0.025 . 1 . . . . 71 LEU HG . 18086 1 756 . 1 1 71 71 LEU HD11 H 1 0.866 0.025 . 1 . . . . 71 LEU MD1 . 18086 1 757 . 1 1 71 71 LEU HD12 H 1 0.866 0.025 . 1 . . . . 71 LEU MD1 . 18086 1 758 . 1 1 71 71 LEU HD13 H 1 0.866 0.025 . 1 . . . . 71 LEU MD1 . 18086 1 759 . 1 1 71 71 LEU HD21 H 1 0.866 0.025 . 1 . . . . 71 LEU MD2 . 18086 1 760 . 1 1 71 71 LEU HD22 H 1 0.866 0.025 . 1 . . . . 71 LEU MD2 . 18086 1 761 . 1 1 71 71 LEU HD23 H 1 0.866 0.025 . 1 . . . . 71 LEU MD2 . 18086 1 762 . 1 1 71 71 LEU CA C 13 58.196 0.600 . 1 . . . . 71 LEU CA . 18086 1 763 . 1 1 71 71 LEU CB C 13 42.241 0.600 . 1 . . . . 71 LEU CB . 18086 1 764 . 1 1 71 71 LEU CG C 13 26.789 0.600 . 1 . . . . 71 LEU CG . 18086 1 765 . 1 1 71 71 LEU CD1 C 13 25.148 0.600 . 2 . . . . 71 LEU CD1 . 18086 1 766 . 1 1 71 71 LEU CD2 C 13 23.976 0.600 . 2 . . . . 71 LEU CD2 . 18086 1 767 . 1 1 71 71 LEU N N 15 121.128 0.140 . 1 . . . . 71 LEU N . 18086 1 768 . 1 1 72 72 ILE H H 1 8.029 0.025 . 1 . . . . 72 ILE H . 18086 1 769 . 1 1 72 72 ILE HA H 1 3.290 0.025 . 1 . . . . 72 ILE HA . 18086 1 770 . 1 1 72 72 ILE HB H 1 1.798 0.025 . 1 . . . . 72 ILE HB . 18086 1 771 . 1 1 72 72 ILE HG12 H 1 0.609 0.025 . 1 . . . . 72 ILE HG12 . 18086 1 772 . 1 1 72 72 ILE HG13 H 1 0.609 0.025 . 1 . . . . 72 ILE HG13 . 18086 1 773 . 1 1 72 72 ILE HG21 H 1 0.762 0.025 . 1 . . . . 72 ILE MG . 18086 1 774 . 1 1 72 72 ILE HG22 H 1 0.762 0.025 . 1 . . . . 72 ILE MG . 18086 1 775 . 1 1 72 72 ILE HG23 H 1 0.762 0.025 . 1 . . . . 72 ILE MG . 18086 1 776 . 1 1 72 72 ILE HD11 H 1 0.603 0.025 . 1 . . . . 72 ILE MD . 18086 1 777 . 1 1 72 72 ILE HD12 H 1 0.603 0.025 . 1 . . . . 72 ILE MD . 18086 1 778 . 1 1 72 72 ILE HD13 H 1 0.603 0.025 . 1 . . . . 72 ILE MD . 18086 1 779 . 1 1 72 72 ILE CA C 13 65.845 0.600 . 1 . . . . 72 ILE CA . 18086 1 780 . 1 1 72 72 ILE CB C 13 38.509 0.600 . 1 . . . . 72 ILE CB . 18086 1 781 . 1 1 72 72 ILE CG1 C 13 28.967 0.600 . 1 . . . . 72 ILE CG1 . 18086 1 782 . 1 1 72 72 ILE CG2 C 13 17.310 0.600 . 1 . . . . 72 ILE CG2 . 18086 1 783 . 1 1 72 72 ILE CD1 C 13 15.539 0.600 . 1 . . . . 72 ILE CD1 . 18086 1 784 . 1 1 72 72 ILE N N 15 118.568 0.140 . 1 . . . . 72 ILE N . 18086 1 785 . 1 1 73 73 ARG H H 1 8.542 0.025 . 1 . . . . 73 ARG H . 18086 1 786 . 1 1 73 73 ARG HA H 1 3.904 0.025 . 1 . . . . 73 ARG HA . 18086 1 787 . 1 1 73 73 ARG HB2 H 1 1.725 0.025 . 1 . . . . 73 ARG HB2 . 18086 1 788 . 1 1 73 73 ARG HB3 H 1 1.725 0.025 . 1 . . . . 73 ARG HB3 . 18086 1 789 . 1 1 73 73 ARG HG2 H 1 1.904 0.025 . 2 . . . . 73 ARG HG2 . 18086 1 790 . 1 1 73 73 ARG HG3 H 1 1.608 0.025 . 2 . . . . 73 ARG HG3 . 18086 1 791 . 1 1 73 73 ARG HD2 H 1 3.127 0.025 . 1 . . . . 73 ARG HD2 . 18086 1 792 . 1 1 73 73 ARG HD3 H 1 3.127 0.025 . 1 . . . . 73 ARG HD3 . 18086 1 793 . 1 1 73 73 ARG CA C 13 60.743 0.600 . 1 . . . . 73 ARG CA . 18086 1 794 . 1 1 73 73 ARG CB C 13 28.986 0.600 . 1 . . . . 73 ARG CB . 18086 1 795 . 1 1 73 73 ARG CG C 13 29.487 0.600 . 1 . . . . 73 ARG CG . 18086 1 796 . 1 1 73 73 ARG CD C 13 42.961 0.600 . 1 . . . . 73 ARG CD . 18086 1 797 . 1 1 73 73 ARG N N 15 117.609 0.140 . 1 . . . . 73 ARG N . 18086 1 798 . 1 1 74 74 LEU H H 1 8.119 0.025 . 1 . . . . 74 LEU H . 18086 1 799 . 1 1 74 74 LEU HA H 1 4.109 0.025 . 1 . . . . 74 LEU HA . 18086 1 800 . 1 1 74 74 LEU HB2 H 1 1.741 0.025 . 1 . . . . 74 LEU HB2 . 18086 1 801 . 1 1 74 74 LEU HB3 H 1 1.741 0.025 . 1 . . . . 74 LEU HB3 . 18086 1 802 . 1 1 74 74 LEU HG H 1 1.540 0.025 . 1 . . . . 74 LEU HG . 18086 1 803 . 1 1 74 74 LEU HD11 H 1 0.834 0.025 . 1 . . . . 74 LEU MD1 . 18086 1 804 . 1 1 74 74 LEU HD12 H 1 0.834 0.025 . 1 . . . . 74 LEU MD1 . 18086 1 805 . 1 1 74 74 LEU HD13 H 1 0.834 0.025 . 1 . . . . 74 LEU MD1 . 18086 1 806 . 1 1 74 74 LEU HD21 H 1 0.834 0.025 . 1 . . . . 74 LEU MD2 . 18086 1 807 . 1 1 74 74 LEU HD22 H 1 0.834 0.025 . 1 . . . . 74 LEU MD2 . 18086 1 808 . 1 1 74 74 LEU HD23 H 1 0.834 0.025 . 1 . . . . 74 LEU MD2 . 18086 1 809 . 1 1 74 74 LEU CA C 13 57.667 0.600 . 1 . . . . 74 LEU CA . 18086 1 810 . 1 1 74 74 LEU CB C 13 41.878 0.600 . 1 . . . . 74 LEU CB . 18086 1 811 . 1 1 74 74 LEU CG C 13 26.937 0.600 . 1 . . . . 74 LEU CG . 18086 1 812 . 1 1 74 74 LEU CD1 C 13 24.386 0.600 . 2 . . . . 74 LEU CD1 . 18086 1 813 . 1 1 74 74 LEU CD2 C 13 24.445 0.600 . 2 . . . . 74 LEU CD2 . 18086 1 814 . 1 1 74 74 LEU N N 15 120.445 0.140 . 1 . . . . 74 LEU N . 18086 1 815 . 1 1 75 75 LYS H H 1 7.951 0.025 . 1 . . . . 75 LYS H . 18086 1 816 . 1 1 75 75 LYS HA H 1 4.061 0.025 . 1 . . . . 75 LYS HA . 18086 1 817 . 1 1 75 75 LYS HB2 H 1 1.951 0.025 . 2 . . . . 75 LYS HB2 . 18086 1 818 . 1 1 75 75 LYS HB3 H 1 1.776 0.025 . 2 . . . . 75 LYS HB3 . 18086 1 819 . 1 1 75 75 LYS HG2 H 1 1.497 0.025 . 1 . . . . 75 LYS HG2 . 18086 1 820 . 1 1 75 75 LYS HG3 H 1 1.497 0.025 . 1 . . . . 75 LYS HG3 . 18086 1 821 . 1 1 75 75 LYS HD2 H 1 1.640 0.025 . 1 . . . . 75 LYS HD2 . 18086 1 822 . 1 1 75 75 LYS HD3 H 1 1.640 0.025 . 1 . . . . 75 LYS HD3 . 18086 1 823 . 1 1 75 75 LYS HE2 H 1 2.890 0.025 . 1 . . . . 75 LYS HE2 . 18086 1 824 . 1 1 75 75 LYS HE3 H 1 2.890 0.025 . 1 . . . . 75 LYS HE3 . 18086 1 825 . 1 1 75 75 LYS CA C 13 57.210 0.600 . 1 . . . . 75 LYS CA . 18086 1 826 . 1 1 75 75 LYS CB C 13 31.310 0.600 . 1 . . . . 75 LYS CB . 18086 1 827 . 1 1 75 75 LYS CG C 13 24.405 0.600 . 1 . . . . 75 LYS CG . 18086 1 828 . 1 1 75 75 LYS CD C 13 27.726 0.600 . 1 . . . . 75 LYS CD . 18086 1 829 . 1 1 75 75 LYS CE C 13 42.258 0.600 . 1 . . . . 75 LYS CE . 18086 1 830 . 1 1 75 75 LYS N N 15 119.736 0.140 . 1 . . . . 75 LYS N . 18086 1 831 . 1 1 76 76 CYS H H 1 7.895 0.025 . 1 . . . . 76 CYS H . 18086 1 832 . 1 1 76 76 CYS HA H 1 4.017 0.025 . 1 . . . . 76 CYS HA . 18086 1 833 . 1 1 76 76 CYS HB2 H 1 3.059 0.025 . 2 . . . . 76 CYS HB2 . 18086 1 834 . 1 1 76 76 CYS HB3 H 1 2.905 0.025 . 2 . . . . 76 CYS HB3 . 18086 1 835 . 1 1 76 76 CYS CA C 13 62.429 0.600 . 1 . . . . 76 CYS CA . 18086 1 836 . 1 1 76 76 CYS CB C 13 26.682 0.600 . 1 . . . . 76 CYS CB . 18086 1 837 . 1 1 76 76 CYS N N 15 113.986 0.140 . 1 . . . . 76 CYS N . 18086 1 838 . 1 1 77 77 LEU H H 1 7.377 0.025 . 1 . . . . 77 LEU H . 18086 1 839 . 1 1 77 77 LEU HA H 1 4.133 0.025 . 1 . . . . 77 LEU HA . 18086 1 840 . 1 1 77 77 LEU HB2 H 1 1.795 0.025 . 2 . . . . 77 LEU HB2 . 18086 1 841 . 1 1 77 77 LEU HB3 H 1 1.462 0.025 . 2 . . . . 77 LEU HB3 . 18086 1 842 . 1 1 77 77 LEU HG H 1 1.926 0.025 . 1 . . . . 77 LEU HG . 18086 1 843 . 1 1 77 77 LEU HD11 H 1 0.885 0.025 . 2 . . . . 77 LEU MD1 . 18086 1 844 . 1 1 77 77 LEU HD12 H 1 0.885 0.025 . 2 . . . . 77 LEU MD1 . 18086 1 845 . 1 1 77 77 LEU HD13 H 1 0.885 0.025 . 2 . . . . 77 LEU MD1 . 18086 1 846 . 1 1 77 77 LEU HD21 H 1 0.826 0.025 . 2 . . . . 77 LEU MD2 . 18086 1 847 . 1 1 77 77 LEU HD22 H 1 0.826 0.025 . 2 . . . . 77 LEU MD2 . 18086 1 848 . 1 1 77 77 LEU HD23 H 1 0.826 0.025 . 2 . . . . 77 LEU MD2 . 18086 1 849 . 1 1 77 77 LEU CA C 13 57.493 0.600 . 1 . . . . 77 LEU CA . 18086 1 850 . 1 1 77 77 LEU CB C 13 41.360 0.600 . 1 . . . . 77 LEU CB . 18086 1 851 . 1 1 77 77 LEU CG C 13 26.465 0.600 . 1 . . . . 77 LEU CG . 18086 1 852 . 1 1 77 77 LEU CD1 C 13 25.002 0.600 . 2 . . . . 77 LEU CD1 . 18086 1 853 . 1 1 77 77 LEU CD2 C 13 22.570 0.600 . 2 . . . . 77 LEU CD2 . 18086 1 854 . 1 1 77 77 LEU N N 15 120.831 0.140 . 1 . . . . 77 LEU N . 18086 1 855 . 1 1 78 78 ASP H H 1 7.315 0.025 . 1 . . . . 78 ASP H . 18086 1 856 . 1 1 78 78 ASP HA H 1 4.603 0.025 . 1 . . . . 78 ASP HA . 18086 1 857 . 1 1 78 78 ASP HB2 H 1 2.739 0.025 . 2 . . . . 78 ASP HB2 . 18086 1 858 . 1 1 78 78 ASP HB3 H 1 2.489 0.025 . 2 . . . . 78 ASP HB3 . 18086 1 859 . 1 1 78 78 ASP CA C 13 54.401 0.600 . 1 . . . . 78 ASP CA . 18086 1 860 . 1 1 78 78 ASP CB C 13 40.792 0.600 . 1 . . . . 78 ASP CB . 18086 1 861 . 1 1 78 78 ASP N N 15 115.171 0.140 . 1 . . . . 78 ASP N . 18086 1 862 . 1 1 79 79 LEU H H 1 7.418 0.025 . 1 . . . . 79 LEU H . 18086 1 863 . 1 1 79 79 LEU HA H 1 4.559 0.025 . 1 . . . . 79 LEU HA . 18086 1 864 . 1 1 79 79 LEU HB2 H 1 1.690 0.025 . 2 . . . . 79 LEU HB2 . 18086 1 865 . 1 1 79 79 LEU HB3 H 1 1.353 0.025 . 2 . . . . 79 LEU HB3 . 18086 1 866 . 1 1 79 79 LEU HG H 1 1.458 0.025 . 1 . . . . 79 LEU HG . 18086 1 867 . 1 1 79 79 LEU HD11 H 1 0.669 0.025 . 2 . . . . 79 LEU MD1 . 18086 1 868 . 1 1 79 79 LEU HD12 H 1 0.669 0.025 . 2 . . . . 79 LEU MD1 . 18086 1 869 . 1 1 79 79 LEU HD13 H 1 0.669 0.025 . 2 . . . . 79 LEU MD1 . 18086 1 870 . 1 1 79 79 LEU HD21 H 1 0.662 0.025 . 2 . . . . 79 LEU MD2 . 18086 1 871 . 1 1 79 79 LEU HD22 H 1 0.662 0.025 . 2 . . . . 79 LEU MD2 . 18086 1 872 . 1 1 79 79 LEU HD23 H 1 0.662 0.025 . 2 . . . . 79 LEU MD2 . 18086 1 873 . 1 1 79 79 LEU CA C 13 52.623 0.600 . 1 . . . . 79 LEU CA . 18086 1 874 . 1 1 79 79 LEU CB C 13 42.045 0.600 . 1 . . . . 79 LEU CB . 18086 1 875 . 1 1 79 79 LEU CG C 13 26.969 0.600 . 1 . . . . 79 LEU CG . 18086 1 876 . 1 1 79 79 LEU CD1 C 13 25.906 0.600 . 2 . . . . 79 LEU CD1 . 18086 1 877 . 1 1 79 79 LEU CD2 C 13 23.446 0.600 . 2 . . . . 79 LEU CD2 . 18086 1 878 . 1 1 79 79 LEU N N 15 121.203 0.140 . 1 . . . . 79 LEU N . 18086 1 879 . 1 1 80 80 PRO HA H 1 4.356 0.025 . 1 . . . . 80 PRO HA . 18086 1 880 . 1 1 80 80 PRO HB2 H 1 2.297 0.025 . 2 . . . . 80 PRO HB2 . 18086 1 881 . 1 1 80 80 PRO HB3 H 1 1.778 0.025 . 2 . . . . 80 PRO HB3 . 18086 1 882 . 1 1 80 80 PRO HG2 H 1 1.902 0.025 . 1 . . . . 80 PRO HG2 . 18086 1 883 . 1 1 80 80 PRO HG3 H 1 1.902 0.025 . 1 . . . . 80 PRO HG3 . 18086 1 884 . 1 1 80 80 PRO HD2 H 1 3.647 0.025 . 2 . . . . 80 PRO HD2 . 18086 1 885 . 1 1 80 80 PRO HD3 H 1 3.267 0.025 . 2 . . . . 80 PRO HD3 . 18086 1 886 . 1 1 80 80 PRO CA C 13 62.693 0.600 . 1 . . . . 80 PRO CA . 18086 1 887 . 1 1 80 80 PRO CB C 13 31.749 0.600 . 1 . . . . 80 PRO CB . 18086 1 888 . 1 1 80 80 PRO CG C 13 27.564 0.600 . 1 . . . . 80 PRO CG . 18086 1 889 . 1 1 80 80 PRO CD C 13 50.010 0.600 . 1 . . . . 80 PRO CD . 18086 1 890 . 1 1 81 81 ASP H H 1 7.923 0.025 . 1 . . . . 81 ASP H . 18086 1 891 . 1 1 81 81 ASP HA H 1 4.259 0.025 . 1 . . . . 81 ASP HA . 18086 1 892 . 1 1 81 81 ASP HB2 H 1 2.557 0.025 . 1 . . . . 81 ASP HB2 . 18086 1 893 . 1 1 81 81 ASP HB3 H 1 2.557 0.025 . 1 . . . . 81 ASP HB3 . 18086 1 894 . 1 1 81 81 ASP CA C 13 55.192 0.600 . 1 . . . . 81 ASP CA . 18086 1 895 . 1 1 81 81 ASP CB C 13 40.725 0.600 . 1 . . . . 81 ASP CB . 18086 1 896 . 1 1 81 81 ASP N N 15 117.094 0.140 . 1 . . . . 81 ASP N . 18086 1 897 . 1 1 82 82 ILE H H 1 7.493 0.025 . 1 . . . . 82 ILE H . 18086 1 898 . 1 1 82 82 ILE HA H 1 3.621 0.025 . 1 . . . . 82 ILE HA . 18086 1 899 . 1 1 82 82 ILE HB H 1 1.701 0.025 . 1 . . . . 82 ILE HB . 18086 1 900 . 1 1 82 82 ILE HG12 H 1 1.205 0.025 . 2 . . . . 82 ILE HG12 . 18086 1 901 . 1 1 82 82 ILE HG13 H 1 0.832 0.025 . 2 . . . . 82 ILE HG13 . 18086 1 902 . 1 1 82 82 ILE HG21 H 1 0.701 0.025 . 1 . . . . 82 ILE MG . 18086 1 903 . 1 1 82 82 ILE HG22 H 1 0.701 0.025 . 1 . . . . 82 ILE MG . 18086 1 904 . 1 1 82 82 ILE HG23 H 1 0.701 0.025 . 1 . . . . 82 ILE MG . 18086 1 905 . 1 1 82 82 ILE HD11 H 1 0.580 0.025 . 1 . . . . 82 ILE MD . 18086 1 906 . 1 1 82 82 ILE HD12 H 1 0.580 0.025 . 1 . . . . 82 ILE MD . 18086 1 907 . 1 1 82 82 ILE HD13 H 1 0.580 0.025 . 1 . . . . 82 ILE MD . 18086 1 908 . 1 1 82 82 ILE CA C 13 60.335 0.600 . 1 . . . . 82 ILE CA . 18086 1 909 . 1 1 82 82 ILE CB C 13 39.305 0.600 . 1 . . . . 82 ILE CB . 18086 1 910 . 1 1 82 82 ILE CG1 C 13 27.896 0.600 . 1 . . . . 82 ILE CG1 . 18086 1 911 . 1 1 82 82 ILE CG2 C 13 14.888 0.600 . 1 . . . . 82 ILE CG2 . 18086 1 912 . 1 1 82 82 ILE CD1 C 13 13.736 0.600 . 1 . . . . 82 ILE CD1 . 18086 1 913 . 1 1 82 82 ILE N N 15 117.306 0.140 . 1 . . . . 82 ILE N . 18086 1 914 . 1 1 83 83 ASP H H 1 6.050 0.025 . 1 . . . . 83 ASP H . 18086 1 915 . 1 1 83 83 ASP HA H 1 4.546 0.025 . 1 . . . . 83 ASP HA . 18086 1 916 . 1 1 83 83 ASP HB2 H 1 2.478 0.025 . 2 . . . . 83 ASP HB2 . 18086 1 917 . 1 1 83 83 ASP HB3 H 1 2.281 0.025 . 2 . . . . 83 ASP HB3 . 18086 1 918 . 1 1 83 83 ASP CA C 13 52.667 0.600 . 1 . . . . 83 ASP CA . 18086 1 919 . 1 1 83 83 ASP CB C 13 41.458 0.600 . 1 . . . . 83 ASP CB . 18086 1 920 . 1 1 83 83 ASP N N 15 125.800 0.140 . 1 . . . . 83 ASP N . 18086 1 921 . 1 1 84 84 PHE H H 1 7.413 0.025 . 1 . . . . 84 PHE H . 18086 1 922 . 1 1 84 84 PHE HA H 1 5.344 0.025 . 1 . . . . 84 PHE HA . 18086 1 923 . 1 1 84 84 PHE HB2 H 1 3.013 0.025 . 1 . . . . 84 PHE HB2 . 18086 1 924 . 1 1 84 84 PHE HB3 H 1 3.013 0.025 . 1 . . . . 84 PHE HB3 . 18086 1 925 . 1 1 84 84 PHE HD1 H 1 6.842 0.025 . 1 . . . . 84 PHE HD1 . 18086 1 926 . 1 1 84 84 PHE HD2 H 1 6.842 0.025 . 1 . . . . 84 PHE HD2 . 18086 1 927 . 1 1 84 84 PHE CA C 13 55.644 0.600 . 1 . . . . 84 PHE CA . 18086 1 928 . 1 1 84 84 PHE CB C 13 41.318 0.600 . 1 . . . . 84 PHE CB . 18086 1 929 . 1 1 84 84 PHE N N 15 114.408 0.140 . 1 . . . . 84 PHE N . 18086 1 930 . 1 1 85 85 ASP H H 1 9.044 0.025 . 1 . . . . 85 ASP H . 18086 1 931 . 1 1 85 85 ASP HA H 1 4.895 0.025 . 1 . . . . 85 ASP HA . 18086 1 932 . 1 1 85 85 ASP HB2 H 1 2.659 0.025 . 2 . . . . 85 ASP HB2 . 18086 1 933 . 1 1 85 85 ASP HB3 H 1 2.503 0.025 . 2 . . . . 85 ASP HB3 . 18086 1 934 . 1 1 85 85 ASP CA C 13 53.043 0.600 . 1 . . . . 85 ASP CA . 18086 1 935 . 1 1 85 85 ASP CB C 13 43.640 0.600 . 1 . . . . 85 ASP CB . 18086 1 936 . 1 1 85 85 ASP N N 15 120.472 0.140 . 1 . . . . 85 ASP N . 18086 1 937 . 1 1 86 86 LEU H H 1 8.667 0.025 . 1 . . . . 86 LEU H . 18086 1 938 . 1 1 86 86 LEU HA H 1 4.901 0.025 . 1 . . . . 86 LEU HA . 18086 1 939 . 1 1 86 86 LEU HB2 H 1 1.347 0.025 . 2 . . . . 86 LEU HB2 . 18086 1 940 . 1 1 86 86 LEU HB3 H 1 1.228 0.025 . 2 . . . . 86 LEU HB3 . 18086 1 941 . 1 1 86 86 LEU HG H 1 1.230 0.025 . 1 . . . . 86 LEU HG . 18086 1 942 . 1 1 86 86 LEU HD11 H 1 0.346 0.025 . 2 . . . . 86 LEU MD1 . 18086 1 943 . 1 1 86 86 LEU HD12 H 1 0.346 0.025 . 2 . . . . 86 LEU MD1 . 18086 1 944 . 1 1 86 86 LEU HD13 H 1 0.346 0.025 . 2 . . . . 86 LEU MD1 . 18086 1 945 . 1 1 86 86 LEU HD21 H 1 0.375 0.025 . 2 . . . . 86 LEU MD2 . 18086 1 946 . 1 1 86 86 LEU HD22 H 1 0.375 0.025 . 2 . . . . 86 LEU MD2 . 18086 1 947 . 1 1 86 86 LEU HD23 H 1 0.375 0.025 . 2 . . . . 86 LEU MD2 . 18086 1 948 . 1 1 86 86 LEU CA C 13 53.386 0.600 . 1 . . . . 86 LEU CA . 18086 1 949 . 1 1 86 86 LEU CB C 13 45.538 0.600 . 1 . . . . 86 LEU CB . 18086 1 950 . 1 1 86 86 LEU CG C 13 26.682 0.600 . 1 . . . . 86 LEU CG . 18086 1 951 . 1 1 86 86 LEU CD1 C 13 24.943 0.600 . 2 . . . . 86 LEU CD1 . 18086 1 952 . 1 1 86 86 LEU CD2 C 13 25.549 0.600 . 2 . . . . 86 LEU CD2 . 18086 1 953 . 1 1 86 86 LEU N N 15 123.421 0.140 . 1 . . . . 86 LEU N . 18086 1 954 . 1 1 87 87 ASN H H 1 8.484 0.025 . 1 . . . . 87 ASN H . 18086 1 955 . 1 1 87 87 ASN HA H 1 4.912 0.025 . 1 . . . . 87 ASN HA . 18086 1 956 . 1 1 87 87 ASN HB2 H 1 2.556 0.025 . 1 . . . . 87 ASN HB2 . 18086 1 957 . 1 1 87 87 ASN HB3 H 1 2.556 0.025 . 1 . . . . 87 ASN HB3 . 18086 1 958 . 1 1 87 87 ASN HD21 H 1 7.479 0.025 . 2 . . . . 87 ASN HD21 . 18086 1 959 . 1 1 87 87 ASN HD22 H 1 6.717 0.025 . 2 . . . . 87 ASN HD22 . 18086 1 960 . 1 1 87 87 ASN CA C 13 52.449 0.600 . 1 . . . . 87 ASN CA . 18086 1 961 . 1 1 87 87 ASN CB C 13 41.641 0.600 . 1 . . . . 87 ASN CB . 18086 1 962 . 1 1 87 87 ASN N N 15 122.491 0.140 . 1 . . . . 87 ASN N . 18086 1 963 . 1 1 87 87 ASN ND2 N 15 112.863 0.140 . 1 . . . . 87 ASN ND2 . 18086 1 964 . 1 1 88 88 ILE H H 1 8.699 0.025 . 1 . . . . 88 ILE H . 18086 1 965 . 1 1 88 88 ILE HA H 1 4.785 0.025 . 1 . . . . 88 ILE HA . 18086 1 966 . 1 1 88 88 ILE HB H 1 1.580 0.025 . 1 . . . . 88 ILE HB . 18086 1 967 . 1 1 88 88 ILE HG12 H 1 0.765 0.025 . 1 . . . . 88 ILE HG12 . 18086 1 968 . 1 1 88 88 ILE HG13 H 1 0.765 0.025 . 1 . . . . 88 ILE HG13 . 18086 1 969 . 1 1 88 88 ILE HG21 H 1 0.595 0.025 . 1 . . . . 88 ILE MG . 18086 1 970 . 1 1 88 88 ILE HG22 H 1 0.595 0.025 . 1 . . . . 88 ILE MG . 18086 1 971 . 1 1 88 88 ILE HG23 H 1 0.595 0.025 . 1 . . . . 88 ILE MG . 18086 1 972 . 1 1 88 88 ILE HD11 H 1 0.644 0.025 . 1 . . . . 88 ILE MD . 18086 1 973 . 1 1 88 88 ILE HD12 H 1 0.644 0.025 . 1 . . . . 88 ILE MD . 18086 1 974 . 1 1 88 88 ILE HD13 H 1 0.644 0.025 . 1 . . . . 88 ILE MD . 18086 1 975 . 1 1 88 88 ILE CA C 13 60.985 0.600 . 1 . . . . 88 ILE CA . 18086 1 976 . 1 1 88 88 ILE CB C 13 39.311 0.600 . 1 . . . . 88 ILE CB . 18086 1 977 . 1 1 88 88 ILE CG1 C 13 27.877 0.600 . 1 . . . . 88 ILE CG1 . 18086 1 978 . 1 1 88 88 ILE CG2 C 13 16.937 0.600 . 1 . . . . 88 ILE CG2 . 18086 1 979 . 1 1 88 88 ILE CD1 C 13 14.079 0.600 . 1 . . . . 88 ILE CD1 . 18086 1 980 . 1 1 88 88 ILE N N 15 124.590 0.140 . 1 . . . . 88 ILE N . 18086 1 981 . 1 1 89 89 MET H H 1 8.908 0.025 . 1 . . . . 89 MET H . 18086 1 982 . 1 1 89 89 MET HA H 1 5.061 0.025 . 1 . . . . 89 MET HA . 18086 1 983 . 1 1 89 89 MET HB2 H 1 2.261 0.025 . 2 . . . . 89 MET HB2 . 18086 1 984 . 1 1 89 89 MET HB3 H 1 2.077 0.025 . 2 . . . . 89 MET HB3 . 18086 1 985 . 1 1 89 89 MET HG2 H 1 2.571 0.025 . 1 . . . . 89 MET HG2 . 18086 1 986 . 1 1 89 89 MET HG3 H 1 2.571 0.025 . 1 . . . . 89 MET HG3 . 18086 1 987 . 1 1 89 89 MET HE1 H 1 1.923 0.025 . 1 . . . . 89 MET ME . 18086 1 988 . 1 1 89 89 MET HE2 H 1 1.923 0.025 . 1 . . . . 89 MET ME . 18086 1 989 . 1 1 89 89 MET HE3 H 1 1.923 0.025 . 1 . . . . 89 MET ME . 18086 1 990 . 1 1 89 89 MET CA C 13 53.853 0.600 . 1 . . . . 89 MET CA . 18086 1 991 . 1 1 89 89 MET CB C 13 38.174 0.600 . 1 . . . . 89 MET CB . 18086 1 992 . 1 1 89 89 MET CG C 13 31.113 0.600 . 1 . . . . 89 MET CG . 18086 1 993 . 1 1 89 89 MET CE C 13 16.829 0.600 . 1 . . . . 89 MET CE . 18086 1 994 . 1 1 89 89 MET N N 15 125.728 0.140 . 1 . . . . 89 MET N . 18086 1 995 . 1 1 90 90 THR H H 1 9.108 0.025 . 1 . . . . 90 THR H . 18086 1 996 . 1 1 90 90 THR HA H 1 4.538 0.025 . 1 . . . . 90 THR HA . 18086 1 997 . 1 1 90 90 THR HB H 1 4.653 0.025 . 1 . . . . 90 THR HB . 18086 1 998 . 1 1 90 90 THR HG21 H 1 1.314 0.025 . 1 . . . . 90 THR MG . 18086 1 999 . 1 1 90 90 THR HG22 H 1 1.314 0.025 . 1 . . . . 90 THR MG . 18086 1 1000 . 1 1 90 90 THR HG23 H 1 1.314 0.025 . 1 . . . . 90 THR MG . 18086 1 1001 . 1 1 90 90 THR CA C 13 62.085 0.600 . 1 . . . . 90 THR CA . 18086 1 1002 . 1 1 90 90 THR CB C 13 70.265 0.600 . 1 . . . . 90 THR CB . 18086 1 1003 . 1 1 90 90 THR CG2 C 13 22.570 0.600 . 1 . . . . 90 THR CG2 . 18086 1 1004 . 1 1 90 90 THR N N 15 112.466 0.140 . 1 . . . . 90 THR N . 18086 1 1005 . 1 1 91 91 VAL H H 1 8.304 0.025 . 1 . . . . 91 VAL H . 18086 1 1006 . 1 1 91 91 VAL HA H 1 3.739 0.025 . 1 . . . . 91 VAL HA . 18086 1 1007 . 1 1 91 91 VAL HB H 1 1.777 0.025 . 1 . . . . 91 VAL HB . 18086 1 1008 . 1 1 91 91 VAL HG11 H 1 1.017 0.025 . 2 . . . . 91 VAL MG1 . 18086 1 1009 . 1 1 91 91 VAL HG12 H 1 1.017 0.025 . 2 . . . . 91 VAL MG1 . 18086 1 1010 . 1 1 91 91 VAL HG13 H 1 1.017 0.025 . 2 . . . . 91 VAL MG1 . 18086 1 1011 . 1 1 91 91 VAL HG21 H 1 1.018 0.025 . 2 . . . . 91 VAL MG2 . 18086 1 1012 . 1 1 91 91 VAL HG22 H 1 1.018 0.025 . 2 . . . . 91 VAL MG2 . 18086 1 1013 . 1 1 91 91 VAL HG23 H 1 1.018 0.025 . 2 . . . . 91 VAL MG2 . 18086 1 1014 . 1 1 91 91 VAL CA C 13 65.703 0.600 . 1 . . . . 91 VAL CA . 18086 1 1015 . 1 1 91 91 VAL CB C 13 31.831 0.600 . 1 . . . . 91 VAL CB . 18086 1 1016 . 1 1 91 91 VAL CG1 C 13 23.106 0.600 . 2 . . . . 91 VAL CG1 . 18086 1 1017 . 1 1 91 91 VAL CG2 C 13 21.228 0.600 . 2 . . . . 91 VAL CG2 . 18086 1 1018 . 1 1 91 91 VAL N N 15 121.025 0.140 . 1 . . . . 91 VAL N . 18086 1 1019 . 1 1 92 92 ASP H H 1 8.081 0.025 . 1 . . . . 92 ASP H . 18086 1 1020 . 1 1 92 92 ASP HA H 1 4.493 0.025 . 1 . . . . 92 ASP HA . 18086 1 1021 . 1 1 92 92 ASP HB2 H 1 2.515 0.025 . 1 . . . . 92 ASP HB2 . 18086 1 1022 . 1 1 92 92 ASP HB3 H 1 2.515 0.025 . 1 . . . . 92 ASP HB3 . 18086 1 1023 . 1 1 92 92 ASP CA C 13 57.051 0.600 . 1 . . . . 92 ASP CA . 18086 1 1024 . 1 1 92 92 ASP CB C 13 40.191 0.600 . 1 . . . . 92 ASP CB . 18086 1 1025 . 1 1 92 92 ASP N N 15 118.718 0.140 . 1 . . . . 92 ASP N . 18086 1 1026 . 1 1 93 93 ASP H H 1 7.542 0.025 . 1 . . . . 93 ASP H . 18086 1 1027 . 1 1 93 93 ASP HA H 1 4.354 0.025 . 1 . . . . 93 ASP HA . 18086 1 1028 . 1 1 93 93 ASP HB2 H 1 2.829 0.025 . 2 . . . . 93 ASP HB2 . 18086 1 1029 . 1 1 93 93 ASP HB3 H 1 2.597 0.025 . 2 . . . . 93 ASP HB3 . 18086 1 1030 . 1 1 93 93 ASP CA C 13 57.030 0.600 . 1 . . . . 93 ASP CA . 18086 1 1031 . 1 1 93 93 ASP CB C 13 40.053 0.600 . 1 . . . . 93 ASP CB . 18086 1 1032 . 1 1 93 93 ASP N N 15 119.905 0.140 . 1 . . . . 93 ASP N . 18086 1 1033 . 1 1 94 94 TYR H H 1 8.527 0.025 . 1 . . . . 94 TYR H . 18086 1 1034 . 1 1 94 94 TYR HA H 1 4.106 0.025 . 1 . . . . 94 TYR HA . 18086 1 1035 . 1 1 94 94 TYR HB2 H 1 2.933 0.025 . 2 . . . . 94 TYR HB2 . 18086 1 1036 . 1 1 94 94 TYR HB3 H 1 2.754 0.025 . 2 . . . . 94 TYR HB3 . 18086 1 1037 . 1 1 94 94 TYR HD1 H 1 6.255 0.025 . 1 . . . . 94 TYR HD1 . 18086 1 1038 . 1 1 94 94 TYR HD2 H 1 6.255 0.025 . 1 . . . . 94 TYR HD2 . 18086 1 1039 . 1 1 94 94 TYR HE1 H 1 6.304 0.025 . 1 . . . . 94 TYR HE1 . 18086 1 1040 . 1 1 94 94 TYR HE2 H 1 6.304 0.025 . 1 . . . . 94 TYR HE2 . 18086 1 1041 . 1 1 94 94 TYR CA C 13 62.014 0.600 . 1 . . . . 94 TYR CA . 18086 1 1042 . 1 1 94 94 TYR CB C 13 37.922 0.600 . 1 . . . . 94 TYR CB . 18086 1 1043 . 1 1 94 94 TYR N N 15 121.858 0.140 . 1 . . . . 94 TYR N . 18086 1 1044 . 1 1 95 95 PHE H H 1 8.163 0.025 . 1 . . . . 95 PHE H . 18086 1 1045 . 1 1 95 95 PHE HA H 1 4.307 0.025 . 1 . . . . 95 PHE HA . 18086 1 1046 . 1 1 95 95 PHE HB2 H 1 3.369 0.025 . 2 . . . . 95 PHE HB2 . 18086 1 1047 . 1 1 95 95 PHE HB3 H 1 3.056 0.025 . 2 . . . . 95 PHE HB3 . 18086 1 1048 . 1 1 95 95 PHE HD1 H 1 7.471 0.025 . 1 . . . . 95 PHE HD1 . 18086 1 1049 . 1 1 95 95 PHE HD2 H 1 7.471 0.025 . 1 . . . . 95 PHE HD2 . 18086 1 1050 . 1 1 95 95 PHE HE1 H 1 7.093 0.025 . 1 . . . . 95 PHE HE1 . 18086 1 1051 . 1 1 95 95 PHE HE2 H 1 7.093 0.025 . 1 . . . . 95 PHE HE2 . 18086 1 1052 . 1 1 95 95 PHE HZ H 1 6.963 0.025 . 1 . . . . 95 PHE HZ . 18086 1 1053 . 1 1 95 95 PHE CA C 13 61.943 0.600 . 1 . . . . 95 PHE CA . 18086 1 1054 . 1 1 95 95 PHE CB C 13 38.414 0.600 . 1 . . . . 95 PHE CB . 18086 1 1055 . 1 1 95 95 PHE N N 15 115.759 0.140 . 1 . . . . 95 PHE N . 18086 1 1056 . 1 1 96 96 ARG H H 1 7.751 0.025 . 1 . . . . 96 ARG H . 18086 1 1057 . 1 1 96 96 ARG HA H 1 4.000 0.025 . 1 . . . . 96 ARG HA . 18086 1 1058 . 1 1 96 96 ARG HB2 H 1 1.801 0.025 . 1 . . . . 96 ARG HB2 . 18086 1 1059 . 1 1 96 96 ARG HB3 H 1 1.801 0.025 . 1 . . . . 96 ARG HB3 . 18086 1 1060 . 1 1 96 96 ARG HG2 H 1 1.619 0.025 . 1 . . . . 96 ARG HG2 . 18086 1 1061 . 1 1 96 96 ARG HG3 H 1 1.619 0.025 . 1 . . . . 96 ARG HG3 . 18086 1 1062 . 1 1 96 96 ARG HD2 H 1 3.145 0.025 . 1 . . . . 96 ARG HD2 . 18086 1 1063 . 1 1 96 96 ARG HD3 H 1 3.145 0.025 . 1 . . . . 96 ARG HD3 . 18086 1 1064 . 1 1 96 96 ARG CA C 13 58.536 0.600 . 1 . . . . 96 ARG CA . 18086 1 1065 . 1 1 96 96 ARG CB C 13 30.016 0.600 . 1 . . . . 96 ARG CB . 18086 1 1066 . 1 1 96 96 ARG CG C 13 28.195 0.600 . 1 . . . . 96 ARG CG . 18086 1 1067 . 1 1 96 96 ARG CD C 13 43.151 0.600 . 1 . . . . 96 ARG CD . 18086 1 1068 . 1 1 96 96 ARG N N 15 119.049 0.140 . 1 . . . . 96 ARG N . 18086 1 1069 . 1 1 97 97 GLN H H 1 7.250 0.025 . 1 . . . . 97 GLN H . 18086 1 1070 . 1 1 97 97 GLN HA H 1 3.970 0.025 . 1 . . . . 97 GLN HA . 18086 1 1071 . 1 1 97 97 GLN HB2 H 1 1.466 0.025 . 1 . . . . 97 GLN HB2 . 18086 1 1072 . 1 1 97 97 GLN HB3 H 1 1.466 0.025 . 1 . . . . 97 GLN HB3 . 18086 1 1073 . 1 1 97 97 GLN HG2 H 1 1.761 0.025 . 1 . . . . 97 GLN HG2 . 18086 1 1074 . 1 1 97 97 GLN HG3 H 1 1.761 0.025 . 1 . . . . 97 GLN HG3 . 18086 1 1075 . 1 1 97 97 GLN HE21 H 1 6.839 0.025 . 2 . . . . 97 GLN HE21 . 18086 1 1076 . 1 1 97 97 GLN HE22 H 1 6.581 0.025 . 2 . . . . 97 GLN HE22 . 18086 1 1077 . 1 1 97 97 GLN CA C 13 57.088 0.600 . 1 . . . . 97 GLN CA . 18086 1 1078 . 1 1 97 97 GLN CB C 13 29.388 0.600 . 1 . . . . 97 GLN CB . 18086 1 1079 . 1 1 97 97 GLN CG C 13 33.396 0.600 . 1 . . . . 97 GLN CG . 18086 1 1080 . 1 1 97 97 GLN N N 15 114.966 0.140 . 1 . . . . 97 GLN N . 18086 1 1081 . 1 1 97 97 GLN NE2 N 15 111.692 0.140 . 1 . . . . 97 GLN NE2 . 18086 1 1082 . 1 1 98 98 PHE H H 1 7.504 0.025 . 1 . . . . 98 PHE H . 18086 1 1083 . 1 1 98 98 PHE HA H 1 4.372 0.025 . 1 . . . . 98 PHE HA . 18086 1 1084 . 1 1 98 98 PHE HB2 H 1 2.941 0.025 . 2 . . . . 98 PHE HB2 . 18086 1 1085 . 1 1 98 98 PHE HB3 H 1 2.433 0.025 . 2 . . . . 98 PHE HB3 . 18086 1 1086 . 1 1 98 98 PHE HD1 H 1 6.963 0.025 . 1 . . . . 98 PHE HD1 . 18086 1 1087 . 1 1 98 98 PHE HD2 H 1 6.963 0.025 . 1 . . . . 98 PHE HD2 . 18086 1 1088 . 1 1 98 98 PHE HE1 H 1 7.040 0.025 . 1 . . . . 98 PHE HE1 . 18086 1 1089 . 1 1 98 98 PHE HE2 H 1 7.040 0.025 . 1 . . . . 98 PHE HE2 . 18086 1 1090 . 1 1 98 98 PHE CA C 13 58.118 0.600 . 1 . . . . 98 PHE CA . 18086 1 1091 . 1 1 98 98 PHE CB C 13 39.450 0.600 . 1 . . . . 98 PHE CB . 18086 1 1092 . 1 1 98 98 PHE N N 15 116.801 0.140 . 1 . . . . 98 PHE N . 18086 1 1093 . 1 1 99 99 TYR H H 1 7.626 0.025 . 1 . . . . 99 TYR H . 18086 1 1094 . 1 1 99 99 TYR HA H 1 4.561 0.025 . 1 . . . . 99 TYR HA . 18086 1 1095 . 1 1 99 99 TYR HB2 H 1 3.119 0.025 . 2 . . . . 99 TYR HB2 . 18086 1 1096 . 1 1 99 99 TYR HB3 H 1 2.891 0.025 . 2 . . . . 99 TYR HB3 . 18086 1 1097 . 1 1 99 99 TYR HD1 H 1 7.106 0.025 . 1 . . . . 99 TYR HD1 . 18086 1 1098 . 1 1 99 99 TYR HD2 H 1 7.106 0.025 . 1 . . . . 99 TYR HD2 . 18086 1 1099 . 1 1 99 99 TYR HE1 H 1 6.801 0.025 . 1 . . . . 99 TYR HE1 . 18086 1 1100 . 1 1 99 99 TYR HE2 H 1 6.801 0.025 . 1 . . . . 99 TYR HE2 . 18086 1 1101 . 1 1 99 99 TYR CA C 13 57.546 0.600 . 1 . . . . 99 TYR CA . 18086 1 1102 . 1 1 99 99 TYR CB C 13 38.442 0.600 . 1 . . . . 99 TYR CB . 18086 1 1103 . 1 1 99 99 TYR N N 15 119.837 0.140 . 1 . . . . 99 TYR N . 18086 1 1104 . 1 1 100 100 LYS H H 1 7.546 0.025 . 1 . . . . 100 LYS H . 18086 1 1105 . 1 1 100 100 LYS HA H 1 4.054 0.025 . 1 . . . . 100 LYS HA . 18086 1 1106 . 1 1 100 100 LYS HB2 H 1 1.732 0.025 . 2 . . . . 100 LYS HB2 . 18086 1 1107 . 1 1 100 100 LYS HB3 H 1 1.622 0.025 . 2 . . . . 100 LYS HB3 . 18086 1 1108 . 1 1 100 100 LYS HG2 H 1 1.555 0.025 . 1 . . . . 100 LYS HG2 . 18086 1 1109 . 1 1 100 100 LYS HG3 H 1 1.555 0.025 . 1 . . . . 100 LYS HG3 . 18086 1 1110 . 1 1 100 100 LYS HD2 H 1 1.553 0.025 . 1 . . . . 100 LYS HD2 . 18086 1 1111 . 1 1 100 100 LYS HD3 H 1 1.553 0.025 . 1 . . . . 100 LYS HD3 . 18086 1 1112 . 1 1 100 100 LYS HE2 H 1 2.870 0.025 . 1 . . . . 100 LYS HE2 . 18086 1 1113 . 1 1 100 100 LYS HE3 H 1 2.870 0.025 . 1 . . . . 100 LYS HE3 . 18086 1 1114 . 1 1 100 100 LYS CA C 13 57.727 0.600 . 1 . . . . 100 LYS CA . 18086 1 1115 . 1 1 100 100 LYS CB C 13 33.623 0.600 . 1 . . . . 100 LYS CB . 18086 1 1116 . 1 1 100 100 LYS CG C 13 28.983 0.600 . 1 . . . . 100 LYS CG . 18086 1 1117 . 1 1 100 100 LYS CD C 13 33.117 0.600 . 1 . . . . 100 LYS CD . 18086 1 1118 . 1 1 100 100 LYS CE C 13 42.032 0.600 . 1 . . . . 100 LYS CE . 18086 1 1119 . 1 1 100 100 LYS N N 15 127.093 0.140 . 1 . . . . 100 LYS N . 18086 1 stop_ save_