data_16989 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16989 _Entry.Title ; Solution structure of the RRM domain of CYP33 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-09 _Entry.Accession_date 2010-06-09 _Entry.Last_release_date 2010-08-12 _Entry.Original_release_date 2010-08-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Sangho Park . . . 16989 2 John Bushweller . H. . 16989 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16989 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CYP33 . 16989 RRM . 16989 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16989 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 16989 '15N chemical shifts' 77 16989 '1H chemical shifts' 538 16989 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-08-12 2010-06-09 original author . 16989 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYX 'BMRB Entry Tracking System' 16989 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16989 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20677832 _Citation.Full_citation . _Citation.Title 'The PHD3 Domain of MLL Acts as a CYP33-Regulated Switch between MLL-Mediated Activation and Repression .' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 31 _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 6576 _Citation.Page_last 6586 _Citation.Year 2010 _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 Sangho Park . . . 16989 1 2 Ute Osmers . . . 16989 1 3 Gayathree Raman . . . 16989 1 4 Rebecca Schwantes . H. . 16989 1 5 Manuel Diaz . O. . 16989 1 6 John Bushweller . H. . 16989 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16989 _Assembly.ID 1 _Assembly.Name CYP33 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CYP33 1 $CYP33 A . yes native no no . . . 16989 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CYP33 _Entity.Sf_category entity _Entity.Sf_framecode CYP33 _Entity.Entry_ID 16989 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CYP33 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTTKRVLYVGGLAEEVDDK VLHAAFIPFGDITDIQIPLD YETEKHRGFAFVEFELAEDA AAAIDNMNESELFGRTIRVN LAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9211.386 _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 2CQB . "Solution Structure Of The Rna Recognition Motif In Peptidyl- Prolyl Cis-Trans Isomerase E" . . . . . 98.80 102 98.78 100.00 1.66e-50 . . . . 16989 1 2 no PDB 2KU7 . "Solution Structure Of Mll1 Phd3-Cyp33 Rrm Chimeric Protein" . . . . . 97.59 140 98.77 100.00 1.52e-49 . . . . 16989 1 3 no PDB 2KYX . "Solution Structure Of The Rrm Domain Of Cyp33" . . . . . 100.00 83 100.00 100.00 1.41e-51 . . . . 16989 1 4 no PDB 3LPY . "Crystal Structure Of The Rrm Domain Of Cyp33" . . . . . 95.18 79 98.73 100.00 6.24e-48 . . . . 16989 1 5 no PDB 3MDF . "Crystal Structure Of The Rrm Domain Of Cyclophilin 33" . . . . . 98.80 85 98.78 100.00 2.99e-50 . . . . 16989 1 6 no DBJ BAB25512 . "unnamed protein product [Mus musculus]" . . . . . 98.80 301 98.78 100.00 5.09e-48 . . . . 16989 1 7 no DBJ BAE01400 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.80 301 97.56 100.00 2.65e-47 . . . . 16989 1 8 no DBJ BAF85783 . "unnamed protein product [Homo sapiens]" . . . . . 97.59 301 98.77 100.00 3.07e-47 . . . . 16989 1 9 no DBJ BAG36418 . "unnamed protein product [Homo sapiens]" . . . . . 98.80 301 98.78 100.00 6.17e-48 . . . . 16989 1 10 no DBJ BAG73521 . "peptidylprolyl isomerase E [synthetic construct]" . . . . . 98.80 314 98.78 100.00 5.32e-48 . . . . 16989 1 11 no EMBL CAH92437 . "hypothetical protein [Pongo abelii]" . . . . . 98.80 301 98.78 100.00 6.24e-48 . . . . 16989 1 12 no GB AAC00006 . "cyclophilin-33A [Homo sapiens]" . . . . . 98.80 301 98.78 100.00 6.24e-48 . . . . 16989 1 13 no GB AAC00007 . "cyclophilin-33B [Homo sapiens]" . . . . . 98.80 296 98.78 100.00 9.13e-48 . . . . 16989 1 14 no GB AAD19906 . "peptidyl-prolyl cis-trans isomerase E [Homo sapiens]" . . . . . 98.80 301 98.78 100.00 6.17e-48 . . . . 16989 1 15 no GB AAD19907 . "peptidyl-prolyl cis-trans isomerase E [Homo sapiens]" . . . . . 98.80 296 98.78 100.00 9.13e-48 . . . . 16989 1 16 no GB AAF01030 . "cyclophilin-33 [Mus musculus]" . . . . . 96.39 298 98.75 98.75 3.46e-46 . . . . 16989 1 17 no REF NP_001041333 . "peptidyl-prolyl cis-trans isomerase E [Rattus norvegicus]" . . . . . 98.80 255 98.78 100.00 8.09e-49 . . . . 16989 1 18 no REF NP_001091630 . "peptidyl-prolyl cis-trans isomerase E [Bos taurus]" . . . . . 98.80 301 98.78 100.00 1.03e-47 . . . . 16989 1 19 no REF NP_001126436 . "peptidyl-prolyl cis-trans isomerase E [Pongo abelii]" . . . . . 98.80 301 98.78 100.00 6.24e-48 . . . . 16989 1 20 no REF NP_001156520 . "peptidyl-prolyl cis-trans isomerase E [Ovis aries]" . . . . . 98.80 301 98.78 100.00 1.03e-47 . . . . 16989 1 21 no REF NP_001181936 . "peptidyl-prolyl cis-trans isomerase E isoform 4 [Homo sapiens]" . . . . . 98.80 314 98.78 100.00 5.32e-48 . . . . 16989 1 22 no SP A4FV72 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Rotamase E" . . . . . 98.80 301 98.78 100.00 1.03e-47 . . . . 16989 1 23 no SP Q5R723 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Rotamase E" . . . . . 98.80 301 98.78 100.00 6.24e-48 . . . . 16989 1 24 no SP Q9QZH3 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Cyclophilin-33;" . . . . . 98.80 301 98.78 100.00 5.09e-48 . . . . 16989 1 25 no SP Q9UNP9 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Cyclophilin-33;" . . . . . 98.80 301 98.78 100.00 6.17e-48 . . . . 16989 1 26 no TPG DAA31059 . "TPA: peptidylprolyl isomerase E [Bos taurus]" . . . . . 98.80 301 98.78 100.00 8.33e-48 . . . . 16989 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 . 16989 1 2 . SER . 16989 1 3 . THR . 16989 1 4 . THR . 16989 1 5 . LYS . 16989 1 6 . ARG . 16989 1 7 . VAL . 16989 1 8 . LEU . 16989 1 9 . TYR . 16989 1 10 . VAL . 16989 1 11 . GLY . 16989 1 12 . GLY . 16989 1 13 . LEU . 16989 1 14 . ALA . 16989 1 15 . GLU . 16989 1 16 . GLU . 16989 1 17 . VAL . 16989 1 18 . ASP . 16989 1 19 . ASP . 16989 1 20 . LYS . 16989 1 21 . VAL . 16989 1 22 . LEU . 16989 1 23 . HIS . 16989 1 24 . ALA . 16989 1 25 . ALA . 16989 1 26 . PHE . 16989 1 27 . ILE . 16989 1 28 . PRO . 16989 1 29 . PHE . 16989 1 30 . GLY . 16989 1 31 . ASP . 16989 1 32 . ILE . 16989 1 33 . THR . 16989 1 34 . ASP . 16989 1 35 . ILE . 16989 1 36 . GLN . 16989 1 37 . ILE . 16989 1 38 . PRO . 16989 1 39 . LEU . 16989 1 40 . ASP . 16989 1 41 . TYR . 16989 1 42 . GLU . 16989 1 43 . THR . 16989 1 44 . GLU . 16989 1 45 . LYS . 16989 1 46 . HIS . 16989 1 47 . ARG . 16989 1 48 . GLY . 16989 1 49 . PHE . 16989 1 50 . ALA . 16989 1 51 . PHE . 16989 1 52 . VAL . 16989 1 53 . GLU . 16989 1 54 . PHE . 16989 1 55 . GLU . 16989 1 56 . LEU . 16989 1 57 . ALA . 16989 1 58 . GLU . 16989 1 59 . ASP . 16989 1 60 . ALA . 16989 1 61 . ALA . 16989 1 62 . ALA . 16989 1 63 . ALA . 16989 1 64 . ILE . 16989 1 65 . ASP . 16989 1 66 . ASN . 16989 1 67 . MET . 16989 1 68 . ASN . 16989 1 69 . GLU . 16989 1 70 . SER . 16989 1 71 . GLU . 16989 1 72 . LEU . 16989 1 73 . PHE . 16989 1 74 . GLY . 16989 1 75 . ARG . 16989 1 76 . THR . 16989 1 77 . ILE . 16989 1 78 . ARG . 16989 1 79 . VAL . 16989 1 80 . ASN . 16989 1 81 . LEU . 16989 1 82 . ALA . 16989 1 83 . LYS . 16989 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 16989 1 . SER 2 2 16989 1 . THR 3 3 16989 1 . THR 4 4 16989 1 . LYS 5 5 16989 1 . ARG 6 6 16989 1 . VAL 7 7 16989 1 . LEU 8 8 16989 1 . TYR 9 9 16989 1 . VAL 10 10 16989 1 . GLY 11 11 16989 1 . GLY 12 12 16989 1 . LEU 13 13 16989 1 . ALA 14 14 16989 1 . GLU 15 15 16989 1 . GLU 16 16 16989 1 . VAL 17 17 16989 1 . ASP 18 18 16989 1 . ASP 19 19 16989 1 . LYS 20 20 16989 1 . VAL 21 21 16989 1 . LEU 22 22 16989 1 . HIS 23 23 16989 1 . ALA 24 24 16989 1 . ALA 25 25 16989 1 . PHE 26 26 16989 1 . ILE 27 27 16989 1 . PRO 28 28 16989 1 . PHE 29 29 16989 1 . GLY 30 30 16989 1 . ASP 31 31 16989 1 . ILE 32 32 16989 1 . THR 33 33 16989 1 . ASP 34 34 16989 1 . ILE 35 35 16989 1 . GLN 36 36 16989 1 . ILE 37 37 16989 1 . PRO 38 38 16989 1 . LEU 39 39 16989 1 . ASP 40 40 16989 1 . TYR 41 41 16989 1 . GLU 42 42 16989 1 . THR 43 43 16989 1 . GLU 44 44 16989 1 . LYS 45 45 16989 1 . HIS 46 46 16989 1 . ARG 47 47 16989 1 . GLY 48 48 16989 1 . PHE 49 49 16989 1 . ALA 50 50 16989 1 . PHE 51 51 16989 1 . VAL 52 52 16989 1 . GLU 53 53 16989 1 . PHE 54 54 16989 1 . GLU 55 55 16989 1 . LEU 56 56 16989 1 . ALA 57 57 16989 1 . GLU 58 58 16989 1 . ASP 59 59 16989 1 . ALA 60 60 16989 1 . ALA 61 61 16989 1 . ALA 62 62 16989 1 . ALA 63 63 16989 1 . ILE 64 64 16989 1 . ASP 65 65 16989 1 . ASN 66 66 16989 1 . MET 67 67 16989 1 . ASN 68 68 16989 1 . GLU 69 69 16989 1 . SER 70 70 16989 1 . GLU 71 71 16989 1 . LEU 72 72 16989 1 . PHE 73 73 16989 1 . GLY 74 74 16989 1 . ARG 75 75 16989 1 . THR 76 76 16989 1 . ILE 77 77 16989 1 . ARG 78 78 16989 1 . VAL 79 79 16989 1 . ASN 80 80 16989 1 . LEU 81 81 16989 1 . ALA 82 82 16989 1 . LYS 83 83 16989 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 16989 _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 $CYP33 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16989 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 16989 _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 $CYP33 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pGEX 4T' . . . . . . 16989 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16989 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16989 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16989 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16989 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16989 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16989 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16989 1 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 16989 _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 pH 6.9 . pH 16989 1 temperature 303 . K 16989 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16989 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16989 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16989 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16989 _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 Varian INOVA . 600 . . . 16989 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 16989 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 6 '3D HNCAB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 11 '3D TROSY_HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 1 12 '3D TROSY_HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16989 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 16989 _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 . . . . . . . . . 16989 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16989 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16989 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 16989 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16989 1 2 '2D 1H-13C HSQC' . . . 16989 1 3 '3D CBCA(CO)NH' . . . 16989 1 4 '3D C(CO)NH' . . . 16989 1 6 '3D HNCAB' . . . 16989 1 7 '3D H(CCO)NH' . . . 16989 1 8 '3D HCCH-TOCSY' . . . 16989 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 3 3 THR HA H 1 4.471 . . 1 . . . . 3 T HA . 16989 1 2 . 1 1 3 3 THR HB H 1 4.338 . . 1 . . . . 3 T HB . 16989 1 3 . 1 1 3 3 THR HG21 H 1 1.228 . . . . . . . 3 T QG2 . 16989 1 4 . 1 1 3 3 THR HG22 H 1 1.228 . . . . . . . 3 T QG2 . 16989 1 5 . 1 1 3 3 THR HG23 H 1 1.228 . . . . . . . 3 T QG2 . 16989 1 6 . 1 1 3 3 THR CA C 13 61.874 . . 1 . . . . 3 T CA . 16989 1 7 . 1 1 3 3 THR CB C 13 69.543 . . 1 . . . . 3 T CB . 16989 1 8 . 1 1 4 4 THR HA H 1 4.363 . . 1 . . . . 4 T HA . 16989 1 9 . 1 1 4 4 THR HB H 1 4.311 . . 1 . . . . 4 T HB . 16989 1 10 . 1 1 4 4 THR HG21 H 1 1.243 . . . . . . . 4 T QG2 . 16989 1 11 . 1 1 4 4 THR HG22 H 1 1.243 . . . . . . . 4 T QG2 . 16989 1 12 . 1 1 4 4 THR HG23 H 1 1.243 . . . . . . . 4 T QG2 . 16989 1 13 . 1 1 4 4 THR C C 13 174.551 . . 1 . . . . 4 T C . 16989 1 14 . 1 1 4 4 THR CA C 13 62.039 . . 1 . . . . 4 T CA . 16989 1 15 . 1 1 4 4 THR CB C 13 69.980 . . 1 . . . . 4 T CB . 16989 1 16 . 1 1 4 4 THR CG2 C 13 22.006 . . 1 . . . . 4 T CG2 . 16989 1 17 . 1 1 5 5 LYS H H 1 8.439 . . 1 . . . . 5 K HN . 16989 1 18 . 1 1 5 5 LYS HA H 1 4.334 . . 1 . . . . 5 K HA . 16989 1 19 . 1 1 5 5 LYS HB2 H 1 1.984 . . 2 . . . . 5 K HB2 . 16989 1 20 . 1 1 5 5 LYS HB3 H 1 1.852 . . 2 . . . . 5 K HB3 . 16989 1 21 . 1 1 5 5 LYS HD2 H 1 1.644 . . 2 . . . . 5 K QD . 16989 1 22 . 1 1 5 5 LYS HD3 H 1 1.644 . . 2 . . . . 5 K QD . 16989 1 23 . 1 1 5 5 LYS HE2 H 1 2.944 . . 2 . . . . 5 K QE . 16989 1 24 . 1 1 5 5 LYS HE3 H 1 2.944 . . 2 . . . . 5 K QE . 16989 1 25 . 1 1 5 5 LYS HG2 H 1 1.463 . . 2 . . . . 5 K HG2 . 16989 1 26 . 1 1 5 5 LYS HG3 H 1 1.381 . . 2 . . . . 5 K HG3 . 16989 1 27 . 1 1 5 5 LYS C C 13 175.574 . . 1 . . . . 5 K C . 16989 1 28 . 1 1 5 5 LYS CA C 13 57.047 . . 1 . . . . 5 K CA . 16989 1 29 . 1 1 5 5 LYS CB C 13 31.783 . . 1 . . . . 5 K CB . 16989 1 30 . 1 1 5 5 LYS CD C 13 29.294 . . 1 . . . . 5 K CD . 16989 1 31 . 1 1 5 5 LYS CE C 13 42.299 . . 1 . . . . 5 K CE . 16989 1 32 . 1 1 5 5 LYS CG C 13 25.296 . . 1 . . . . 5 K CG . 16989 1 33 . 1 1 5 5 LYS N N 15 120.413 . . 1 . . . . 5 K N . 16989 1 34 . 1 1 6 6 ARG H H 1 8.086 . . 1 . . . . 6 R HN . 16989 1 35 . 1 1 6 6 ARG HA H 1 4.387 . . 1 . . . . 6 R HA . 16989 1 36 . 1 1 6 6 ARG HB2 H 1 2.175 . . 2 . . . . 6 R HB2 . 16989 1 37 . 1 1 6 6 ARG HB3 H 1 1.679 . . 2 . . . . 6 R HB3 . 16989 1 38 . 1 1 6 6 ARG HD2 H 1 3.330 . . 2 . . . . 6 R HD2 . 16989 1 39 . 1 1 6 6 ARG HD3 H 1 3.093 . . 2 . . . . 6 R HD3 . 16989 1 40 . 1 1 6 6 ARG HG2 H 1 1.644 . . 2 . . . . 6 R HG2 . 16989 1 41 . 1 1 6 6 ARG HG3 H 1 1.282 . . 2 . . . . 6 R HG3 . 16989 1 42 . 1 1 6 6 ARG C C 13 174.196 . . 1 . . . . 6 R C . 16989 1 43 . 1 1 6 6 ARG CA C 13 56.045 . . 1 . . . . 6 R CA . 16989 1 44 . 1 1 6 6 ARG CB C 13 32.481 . . 1 . . . . 6 R CB . 16989 1 45 . 1 1 6 6 ARG CD C 13 43.866 . . 1 . . . . 6 R CD . 16989 1 46 . 1 1 6 6 ARG CG C 13 27.408 . . 1 . . . . 6 R CG . 16989 1 47 . 1 1 6 6 ARG N N 15 115.849 . . 1 . . . . 6 R N . 16989 1 48 . 1 1 7 7 VAL H H 1 7.762 . . 1 . . . . 7 V HN . 16989 1 49 . 1 1 7 7 VAL HA H 1 4.692 . . 1 . . . . 7 V HA . 16989 1 50 . 1 1 7 7 VAL HB H 1 2.010 . . 1 . . . . 7 V HB . 16989 1 51 . 1 1 7 7 VAL HG11 H 1 0.893 . . . . . . . 7 V QG1 . 16989 1 52 . 1 1 7 7 VAL HG12 H 1 0.893 . . . . . . . 7 V QG1 . 16989 1 53 . 1 1 7 7 VAL HG13 H 1 0.893 . . . . . . . 7 V QG1 . 16989 1 54 . 1 1 7 7 VAL HG21 H 1 0.863 . . . . . . . 7 V QG2 . 16989 1 55 . 1 1 7 7 VAL HG22 H 1 0.863 . . . . . . . 7 V QG2 . 16989 1 56 . 1 1 7 7 VAL HG23 H 1 0.863 . . . . . . . 7 V QG2 . 16989 1 57 . 1 1 7 7 VAL C C 13 175.224 . . 1 . . . . 7 V C . 16989 1 58 . 1 1 7 7 VAL CA C 13 61.635 . . 1 . . . . 7 V CA . 16989 1 59 . 1 1 7 7 VAL CB C 13 32.858 . . 1 . . . . 7 V CB . 16989 1 60 . 1 1 7 7 VAL CG1 C 13 21.607 . . 2 . . . . 7 V CG1 . 16989 1 61 . 1 1 7 7 VAL CG2 C 13 21.706 . . 2 . . . . 7 V CG2 . 16989 1 62 . 1 1 7 7 VAL N N 15 118.027 . . 1 . . . . 7 V N . 16989 1 63 . 1 1 8 8 LEU H H 1 9.697 . . 1 . . . . 8 L HN . 16989 1 64 . 1 1 8 8 LEU HA H 1 4.974 . . 1 . . . . 8 L HA . 16989 1 65 . 1 1 8 8 LEU HB2 H 1 1.690 . . 2 . . . . 8 L HB2 . 16989 1 66 . 1 1 8 8 LEU HB3 H 1 1.265 . . 2 . . . . 8 L HB3 . 16989 1 67 . 1 1 8 8 LEU HD11 H 1 0.835 . . . . . . . 8 L QD1 . 16989 1 68 . 1 1 8 8 LEU HD12 H 1 0.835 . . . . . . . 8 L QD1 . 16989 1 69 . 1 1 8 8 LEU HD13 H 1 0.835 . . . . . . . 8 L QD1 . 16989 1 70 . 1 1 8 8 LEU HD21 H 1 0.703 . . . . . . . 8 L QD2 . 16989 1 71 . 1 1 8 8 LEU HD22 H 1 0.703 . . . . . . . 8 L QD2 . 16989 1 72 . 1 1 8 8 LEU HD23 H 1 0.703 . . . . . . . 8 L QD2 . 16989 1 73 . 1 1 8 8 LEU HG H 1 1.801 . . 1 . . . . 8 L HG . 16989 1 74 . 1 1 8 8 LEU C C 13 176.514 . . 1 . . . . 8 L C . 16989 1 75 . 1 1 8 8 LEU CA C 13 53.517 . . 1 . . . . 8 L CA . 16989 1 76 . 1 1 8 8 LEU CB C 13 43.149 . . 1 . . . . 8 L CB . 16989 1 77 . 1 1 8 8 LEU CD1 C 13 26.486 . . 2 . . . . 8 L CD1 . 16989 1 78 . 1 1 8 8 LEU CD2 C 13 25.045 . . 2 . . . . 8 L CD2 . 16989 1 79 . 1 1 8 8 LEU CG C 13 27.042 . . 1 . . . . 8 L CG . 16989 1 80 . 1 1 8 8 LEU N N 15 127.735 . . 1 . . . . 8 L N . 16989 1 81 . 1 1 9 9 TYR H H 1 9.200 . . 1 . . . . 9 Y HN . 16989 1 82 . 1 1 9 9 TYR HA H 1 4.658 . . 1 . . . . 9 Y HA . 16989 1 83 . 1 1 9 9 TYR HB2 H 1 2.783 . . 2 . . . . 9 Y QB . 16989 1 84 . 1 1 9 9 TYR HB3 H 1 2.783 . . 2 . . . . 9 Y QB . 16989 1 85 . 1 1 9 9 TYR HD1 H 1 6.676 . . 3 . . . . 9 Y QD . 16989 1 86 . 1 1 9 9 TYR HD2 H 1 6.676 . . 3 . . . . 9 Y QD . 16989 1 87 . 1 1 9 9 TYR HE1 H 1 6.177 . . 3 . . . . 9 Y QE . 16989 1 88 . 1 1 9 9 TYR HE2 H 1 6.177 . . 3 . . . . 9 Y QE . 16989 1 89 . 1 1 9 9 TYR C C 13 173.379 . . 1 . . . . 9 Y C . 16989 1 90 . 1 1 9 9 TYR CA C 13 57.561 . . 1 . . . . 9 Y CA . 16989 1 91 . 1 1 9 9 TYR CB C 13 39.985 . . 1 . . . . 9 Y CB . 16989 1 92 . 1 1 9 9 TYR CE1 C 13 117.494 . . 3 . . . . 9 Y CE1 . 16989 1 93 . 1 1 9 9 TYR N N 15 123.740 . . 1 . . . . 9 Y N . 16989 1 94 . 1 1 10 10 VAL H H 1 8.208 . . 1 . . . . 10 V HN . 16989 1 95 . 1 1 10 10 VAL HA H 1 4.766 . . 1 . . . . 10 V HA . 16989 1 96 . 1 1 10 10 VAL HB H 1 1.573 . . 1 . . . . 10 V HB . 16989 1 97 . 1 1 10 10 VAL HG11 H 1 0.791 . . . . . . . 10 V QG1 . 16989 1 98 . 1 1 10 10 VAL HG12 H 1 0.791 . . . . . . . 10 V QG1 . 16989 1 99 . 1 1 10 10 VAL HG13 H 1 0.791 . . . . . . . 10 V QG1 . 16989 1 100 . 1 1 10 10 VAL HG21 H 1 0.516 . . . . . . . 10 V QG2 . 16989 1 101 . 1 1 10 10 VAL HG22 H 1 0.516 . . . . . . . 10 V QG2 . 16989 1 102 . 1 1 10 10 VAL HG23 H 1 0.516 . . . . . . . 10 V QG2 . 16989 1 103 . 1 1 10 10 VAL C C 13 174.134 . . 1 . . . . 10 V C . 16989 1 104 . 1 1 10 10 VAL CA C 13 60.071 . . 1 . . . . 10 V CA . 16989 1 105 . 1 1 10 10 VAL CB C 13 33.176 . . 1 . . . . 10 V CB . 16989 1 106 . 1 1 10 10 VAL CG1 C 13 22.103 . . 2 . . . . 10 V CG1 . 16989 1 107 . 1 1 10 10 VAL CG2 C 13 21.101 . . 2 . . . . 10 V CG2 . 16989 1 108 . 1 1 10 10 VAL N N 15 127.466 . . 1 . . . . 10 V N . 16989 1 109 . 1 1 11 11 GLY H H 1 9.274 . . 1 . . . . 11 G HN . 16989 1 110 . 1 1 11 11 GLY HA2 H 1 4.805 . . 2 . . . . 11 G HA2 . 16989 1 111 . 1 1 11 11 GLY HA3 H 1 3.690 . . 2 . . . . 11 G HA3 . 16989 1 112 . 1 1 11 11 GLY C C 13 173.721 . . 1 . . . . 11 G C . 16989 1 113 . 1 1 11 11 GLY CA C 13 43.194 . . 1 . . . . 11 G CA . 16989 1 114 . 1 1 11 11 GLY N N 15 112.226 . . 1 . . . . 11 G N . 16989 1 115 . 1 1 12 12 GLY H H 1 8.061 . . 1 . . . . 12 G HN . 16989 1 116 . 1 1 12 12 GLY HA2 H 1 4.418 . . 2 . . . . 12 G HA2 . 16989 1 117 . 1 1 12 12 GLY HA3 H 1 3.748 . . 2 . . . . 12 G HA3 . 16989 1 118 . 1 1 12 12 GLY C C 13 175.102 . . 1 . . . . 12 G C . 16989 1 119 . 1 1 12 12 GLY CA C 13 45.965 . . 1 . . . . 12 G CA . 16989 1 120 . 1 1 12 12 GLY N N 15 107.212 . . 1 . . . . 12 G N . 16989 1 121 . 1 1 13 13 LEU H H 1 7.850 . . 1 . . . . 13 L HN . 16989 1 122 . 1 1 13 13 LEU HA H 1 4.056 . . 1 . . . . 13 L HA . 16989 1 123 . 1 1 13 13 LEU HB2 H 1 1.137 . . 2 . . . . 13 L HB2 . 16989 1 124 . 1 1 13 13 LEU HB3 H 1 0.853 . . 2 . . . . 13 L HB3 . 16989 1 125 . 1 1 13 13 LEU HD11 H 1 0.209 . . . . . . . 13 L QD1 . 16989 1 126 . 1 1 13 13 LEU HD12 H 1 0.209 . . . . . . . 13 L QD1 . 16989 1 127 . 1 1 13 13 LEU HD13 H 1 0.209 . . . . . . . 13 L QD1 . 16989 1 128 . 1 1 13 13 LEU HD21 H 1 0.519 . . . . . . . 13 L QD2 . 16989 1 129 . 1 1 13 13 LEU HD22 H 1 0.519 . . . . . . . 13 L QD2 . 16989 1 130 . 1 1 13 13 LEU HD23 H 1 0.519 . . . . . . . 13 L QD2 . 16989 1 131 . 1 1 13 13 LEU HG H 1 1.291 . . 1 . . . . 13 L HG . 16989 1 132 . 1 1 13 13 LEU C C 13 177.396 . . 1 . . . . 13 L C . 16989 1 133 . 1 1 13 13 LEU CA C 13 53.941 . . 1 . . . . 13 L CA . 16989 1 134 . 1 1 13 13 LEU CB C 13 42.197 . . 1 . . . . 13 L CB . 16989 1 135 . 1 1 13 13 LEU CD1 C 13 25.526 . . 2 . . . . 13 L CD1 . 16989 1 136 . 1 1 13 13 LEU CD2 C 13 22.501 . . 2 . . . . 13 L CD2 . 16989 1 137 . 1 1 13 13 LEU CG C 13 26.316 . . 1 . . . . 13 L CG . 16989 1 138 . 1 1 13 13 LEU N N 15 116.147 . . 1 . . . . 13 L N . 16989 1 139 . 1 1 14 14 ALA H H 1 8.543 . . 1 . . . . 14 A HN . 16989 1 140 . 1 1 14 14 ALA HA H 1 4.264 . . 1 . . . . 14 A HA . 16989 1 141 . 1 1 14 14 ALA HB1 H 1 1.653 . . . . . . . 14 A QB . 16989 1 142 . 1 1 14 14 ALA HB2 H 1 1.653 . . . . . . . 14 A QB . 16989 1 143 . 1 1 14 14 ALA HB3 H 1 1.653 . . . . . . . 14 A QB . 16989 1 144 . 1 1 14 14 ALA C C 13 178.006 . . 1 . . . . 14 A C . 16989 1 145 . 1 1 14 14 ALA CA C 13 51.510 . . 1 . . . . 14 A CA . 16989 1 146 . 1 1 14 14 ALA CB C 13 19.745 . . 1 . . . . 14 A CB . 16989 1 147 . 1 1 14 14 ALA N N 15 126.725 . . 1 . . . . 14 A N . 16989 1 148 . 1 1 15 15 GLU H H 1 9.050 . . 1 . . . . 15 E HN . 16989 1 149 . 1 1 15 15 GLU HA H 1 3.568 . . 1 . . . . 15 E HA . 16989 1 150 . 1 1 15 15 GLU HB2 H 1 1.928 . . 2 . . . . 15 E HB2 . 16989 1 151 . 1 1 15 15 GLU HB3 H 1 1.858 . . 2 . . . . 15 E HB3 . 16989 1 152 . 1 1 15 15 GLU HG2 H 1 2.202 . . 2 . . . . 15 E QG . 16989 1 153 . 1 1 15 15 GLU HG3 H 1 2.202 . . 2 . . . . 15 E QG . 16989 1 154 . 1 1 15 15 GLU C C 13 177.369 . . 1 . . . . 15 E C . 16989 1 155 . 1 1 15 15 GLU CA C 13 60.122 . . 1 . . . . 15 E CA . 16989 1 156 . 1 1 15 15 GLU CB C 13 29.426 . . 1 . . . . 15 E CB . 16989 1 157 . 1 1 15 15 GLU CG C 13 36.740 . . 1 . . . . 15 E CG . 16989 1 158 . 1 1 15 15 GLU N N 15 122.580 . . 1 . . . . 15 E N . 16989 1 159 . 1 1 16 16 GLU H H 1 8.957 . . 1 . . . . 16 E HN . 16989 1 160 . 1 1 16 16 GLU HA H 1 3.970 . . 1 . . . . 16 E HA . 16989 1 161 . 1 1 16 16 GLU HB2 H 1 1.765 . . 2 . . . . 16 E HB2 . 16989 1 162 . 1 1 16 16 GLU HB3 H 1 1.497 . . 2 . . . . 16 E HB3 . 16989 1 163 . 1 1 16 16 GLU HG2 H 1 2.229 . . 2 . . . . 16 E HG2 . 16989 1 164 . 1 1 16 16 GLU HG3 H 1 2.086 . . 2 . . . . 16 E HG3 . 16989 1 165 . 1 1 16 16 GLU C C 13 176.502 . . 1 . . . . 16 E C . 16989 1 166 . 1 1 16 16 GLU CA C 13 58.090 . . 1 . . . . 16 E CA . 16989 1 167 . 1 1 16 16 GLU CB C 13 29.040 . . 1 . . . . 16 E CB . 16989 1 168 . 1 1 16 16 GLU CG C 13 37.022 . . 1 . . . . 16 E CG . 16989 1 169 . 1 1 16 16 GLU N N 15 114.200 . . 1 . . . . 16 E N . 16989 1 170 . 1 1 17 17 VAL H H 1 7.485 . . 1 . . . . 17 V HN . 16989 1 171 . 1 1 17 17 VAL HA H 1 3.104 . . 1 . . . . 17 V HA . 16989 1 172 . 1 1 17 17 VAL HB H 1 2.058 . . 1 . . . . 17 V HB . 16989 1 173 . 1 1 17 17 VAL HG11 H 1 0.801 . . . . . . . 17 V QG1 . 16989 1 174 . 1 1 17 17 VAL HG12 H 1 0.801 . . . . . . . 17 V QG1 . 16989 1 175 . 1 1 17 17 VAL HG13 H 1 0.801 . . . . . . . 17 V QG1 . 16989 1 176 . 1 1 17 17 VAL HG21 H 1 0.728 . . . . . . . 17 V QG2 . 16989 1 177 . 1 1 17 17 VAL HG22 H 1 0.728 . . . . . . . 17 V QG2 . 16989 1 178 . 1 1 17 17 VAL HG23 H 1 0.728 . . . . . . . 17 V QG2 . 16989 1 179 . 1 1 17 17 VAL C C 13 173.344 . . 1 . . . . 17 V C . 16989 1 180 . 1 1 17 17 VAL CA C 13 65.274 . . 1 . . . . 17 V CA . 16989 1 181 . 1 1 17 17 VAL CB C 13 30.834 . . 1 . . . . 17 V CB . 16989 1 182 . 1 1 17 17 VAL CG1 C 13 23.268 . . 2 . . . . 17 V CG1 . 16989 1 183 . 1 1 17 17 VAL CG2 C 13 22.329 . . 2 . . . . 17 V CG2 . 16989 1 184 . 1 1 17 17 VAL N N 15 119.129 . . 1 . . . . 17 V N . 16989 1 185 . 1 1 18 18 ASP H H 1 6.720 . . 1 . . . . 18 D HN . 16989 1 186 . 1 1 18 18 ASP HA H 1 4.675 . . 1 . . . . 18 D HA . 16989 1 187 . 1 1 18 18 ASP HB2 H 1 3.161 . . 2 . . . . 18 D HB2 . 16989 1 188 . 1 1 18 18 ASP HB3 H 1 2.736 . . 2 . . . . 18 D HB3 . 16989 1 189 . 1 1 18 18 ASP C C 13 175.751 . . 1 . . . . 18 D C . 16989 1 190 . 1 1 18 18 ASP CA C 13 51.466 . . 1 . . . . 18 D CA . 16989 1 191 . 1 1 18 18 ASP CB C 13 42.803 . . 1 . . . . 18 D CB . 16989 1 192 . 1 1 18 18 ASP N N 15 125.048 . . 1 . . . . 18 D N . 16989 1 193 . 1 1 19 19 ASP H H 1 8.744 . . 1 . . . . 19 D HN . 16989 1 194 . 1 1 19 19 ASP HA H 1 3.909 . . 1 . . . . 19 D HA . 16989 1 195 . 1 1 19 19 ASP HB2 H 1 2.587 . . 2 . . . . 19 D QB . 16989 1 196 . 1 1 19 19 ASP HB3 H 1 2.587 . . 2 . . . . 19 D QB . 16989 1 197 . 1 1 19 19 ASP C C 13 177.325 . . 1 . . . . 19 D C . 16989 1 198 . 1 1 19 19 ASP CA C 13 57.598 . . 1 . . . . 19 D CA . 16989 1 199 . 1 1 19 19 ASP CB C 13 39.206 . . 1 . . . . 19 D CB . 16989 1 200 . 1 1 19 19 ASP N N 15 115.935 . . 1 . . . . 19 D N . 16989 1 201 . 1 1 20 20 LYS H H 1 7.607 . . 1 . . . . 20 K HN . 16989 1 202 . 1 1 20 20 LYS HA H 1 4.082 . . 1 . . . . 20 K HA . 16989 1 203 . 1 1 20 20 LYS HB2 H 1 2.116 . . 2 . . . . 20 K HB2 . 16989 1 204 . 1 1 20 20 LYS HB3 H 1 1.867 . . 2 . . . . 20 K HB3 . 16989 1 205 . 1 1 20 20 LYS HD2 H 1 1.670 . . 2 . . . . 20 K QD . 16989 1 206 . 1 1 20 20 LYS HD3 H 1 1.670 . . 2 . . . . 20 K QD . 16989 1 207 . 1 1 20 20 LYS HE2 H 1 3.005 . . 2 . . . . 20 K QE . 16989 1 208 . 1 1 20 20 LYS HE3 H 1 3.005 . . 2 . . . . 20 K QE . 16989 1 209 . 1 1 20 20 LYS HG2 H 1 1.520 . . 2 . . . . 20 K HG2 . 16989 1 210 . 1 1 20 20 LYS HG3 H 1 1.427 . . 2 . . . . 20 K HG3 . 16989 1 211 . 1 1 20 20 LYS C C 13 180.400 . . 1 . . . . 20 K C . 16989 1 212 . 1 1 20 20 LYS CA C 13 59.311 . . 1 . . . . 20 K CA . 16989 1 213 . 1 1 20 20 LYS CB C 13 31.536 . . 1 . . . . 20 K CB . 16989 1 214 . 1 1 20 20 LYS CD C 13 28.697 . . 1 . . . . 20 K CD . 16989 1 215 . 1 1 20 20 LYS CE C 13 41.992 . . 1 . . . . 20 K CE . 16989 1 216 . 1 1 20 20 LYS CG C 13 24.978 . . 1 . . . . 20 K CG . 16989 1 217 . 1 1 20 20 LYS N N 15 121.329 . . 1 . . . . 20 K N . 16989 1 218 . 1 1 21 21 VAL H H 1 8.282 . . 1 . . . . 21 V HN . 16989 1 219 . 1 1 21 21 VAL HA H 1 3.799 . . 1 . . . . 21 V HA . 16989 1 220 . 1 1 21 21 VAL HB H 1 2.171 . . 1 . . . . 21 V HB . 16989 1 221 . 1 1 21 21 VAL HG11 H 1 1.250 . . . . . . . 21 V QG1 . 16989 1 222 . 1 1 21 21 VAL HG12 H 1 1.250 . . . . . . . 21 V QG1 . 16989 1 223 . 1 1 21 21 VAL HG13 H 1 1.250 . . . . . . . 21 V QG1 . 16989 1 224 . 1 1 21 21 VAL HG21 H 1 0.955 . . . . . . . 21 V QG2 . 16989 1 225 . 1 1 21 21 VAL HG22 H 1 0.955 . . . . . . . 21 V QG2 . 16989 1 226 . 1 1 21 21 VAL HG23 H 1 0.955 . . . . . . . 21 V QG2 . 16989 1 227 . 1 1 21 21 VAL C C 13 179.014 . . 1 . . . . 21 V C . 16989 1 228 . 1 1 21 21 VAL CA C 13 65.928 . . 1 . . . . 21 V CA . 16989 1 229 . 1 1 21 21 VAL CB C 13 32.445 . . 1 . . . . 21 V CB . 16989 1 230 . 1 1 21 21 VAL CG1 C 13 22.449 . . 2 . . . . 21 V CG1 . 16989 1 231 . 1 1 21 21 VAL CG2 C 13 22.446 . . 2 . . . . 21 V CG2 . 16989 1 232 . 1 1 21 21 VAL N N 15 122.249 . . 1 . . . . 21 V N . 16989 1 233 . 1 1 22 22 LEU H H 1 8.026 . . 1 . . . . 22 L HN . 16989 1 234 . 1 1 22 22 LEU HA H 1 4.061 . . 1 . . . . 22 L HA . 16989 1 235 . 1 1 22 22 LEU HB2 H 1 1.710 . . 2 . . . . 22 L HB2 . 16989 1 236 . 1 1 22 22 LEU HB3 H 1 1.267 . . 2 . . . . 22 L HB3 . 16989 1 237 . 1 1 22 22 LEU HD11 H 1 0.457 . . . . . . . 22 L QD1 . 16989 1 238 . 1 1 22 22 LEU HD12 H 1 0.457 . . . . . . . 22 L QD1 . 16989 1 239 . 1 1 22 22 LEU HD13 H 1 0.457 . . . . . . . 22 L QD1 . 16989 1 240 . 1 1 22 22 LEU HD21 H 1 0.587 . . . . . . . 22 L QD2 . 16989 1 241 . 1 1 22 22 LEU HD22 H 1 0.587 . . . . . . . 22 L QD2 . 16989 1 242 . 1 1 22 22 LEU HD23 H 1 0.587 . . . . . . . 22 L QD2 . 16989 1 243 . 1 1 22 22 LEU HG H 1 1.520 . . 1 . . . . 22 L HG . 16989 1 244 . 1 1 22 22 LEU C C 13 178.092 . . 1 . . . . 22 L C . 16989 1 245 . 1 1 22 22 LEU CA C 13 57.951 . . 1 . . . . 22 L CA . 16989 1 246 . 1 1 22 22 LEU CB C 13 42.613 . . 1 . . . . 22 L CB . 16989 1 247 . 1 1 22 22 LEU CD1 C 13 26.044 . . 2 . . . . 22 L CD1 . 16989 1 248 . 1 1 22 22 LEU CD2 C 13 23.893 . . 2 . . . . 22 L CD2 . 16989 1 249 . 1 1 22 22 LEU CG C 13 26.300 . . 1 . . . . 22 L CG . 16989 1 250 . 1 1 22 22 LEU N N 15 118.642 . . 1 . . . . 22 L N . 16989 1 251 . 1 1 23 23 HIS H H 1 8.584 . . 1 . . . . 23 H HN . 16989 1 252 . 1 1 23 23 HIS HA H 1 3.805 . . 1 . . . . 23 H HA . 16989 1 253 . 1 1 23 23 HIS HB2 H 1 3.194 . . 2 . . . . 23 H HB2 . 16989 1 254 . 1 1 23 23 HIS HB3 H 1 3.129 . . 2 . . . . 23 H HB3 . 16989 1 255 . 1 1 23 23 HIS HD2 H 1 6.837 . . 1 . . . . 23 H HD2 . 16989 1 256 . 1 1 23 23 HIS C C 13 176.475 . . 1 . . . . 23 H C . 16989 1 257 . 1 1 23 23 HIS CA C 13 62.003 . . 1 . . . . 23 H CA . 16989 1 258 . 1 1 23 23 HIS CB C 13 30.737 . . 1 . . . . 23 H CB . 16989 1 259 . 1 1 23 23 HIS CD2 C 13 118.391 . . 1 . . . . 23 H CD2 . 16989 1 260 . 1 1 23 23 HIS N N 15 119.239 . . 1 . . . . 23 H N . 16989 1 261 . 1 1 24 24 ALA H H 1 7.784 . . 1 . . . . 24 A HN . 16989 1 262 . 1 1 24 24 ALA HA H 1 4.117 . . 1 . . . . 24 A HA . 16989 1 263 . 1 1 24 24 ALA HB1 H 1 1.553 . . . . . . . 24 A QB . 16989 1 264 . 1 1 24 24 ALA HB2 H 1 1.553 . . . . . . . 24 A QB . 16989 1 265 . 1 1 24 24 ALA HB3 H 1 1.553 . . . . . . . 24 A QB . 16989 1 266 . 1 1 24 24 ALA C C 13 179.697 . . 1 . . . . 24 A C . 16989 1 267 . 1 1 24 24 ALA CA C 13 54.802 . . 1 . . . . 24 A CA . 16989 1 268 . 1 1 24 24 ALA CB C 13 18.166 . . 1 . . . . 24 A CB . 16989 1 269 . 1 1 24 24 ALA N N 15 117.598 . . 1 . . . . 24 A N . 16989 1 270 . 1 1 25 25 ALA H H 1 7.838 . . 1 . . . . 25 A HN . 16989 1 271 . 1 1 25 25 ALA HA H 1 4.146 . . 1 . . . . 25 A HA . 16989 1 272 . 1 1 25 25 ALA HB1 H 1 1.354 . . . . . . . 25 A QB . 16989 1 273 . 1 1 25 25 ALA HB2 H 1 1.354 . . . . . . . 25 A QB . 16989 1 274 . 1 1 25 25 ALA HB3 H 1 1.354 . . . . . . . 25 A QB . 16989 1 275 . 1 1 25 25 ALA C C 13 177.582 . . 1 . . . . 25 A C . 16989 1 276 . 1 1 25 25 ALA CA C 13 53.614 . . 1 . . . . 25 A CA . 16989 1 277 . 1 1 25 25 ALA CB C 13 18.723 . . 1 . . . . 25 A CB . 16989 1 278 . 1 1 25 25 ALA N N 15 117.250 . . 1 . . . . 25 A N . 16989 1 279 . 1 1 26 26 PHE H H 1 7.825 . . 1 . . . . 26 F HN . 16989 1 280 . 1 1 26 26 PHE HA H 1 4.972 . . 1 . . . . 26 F HA . 16989 1 281 . 1 1 26 26 PHE HB2 H 1 3.403 . . 2 . . . . 26 F HB2 . 16989 1 282 . 1 1 26 26 PHE HB3 H 1 2.854 . . 2 . . . . 26 F HB3 . 16989 1 283 . 1 1 26 26 PHE HD1 H 1 7.683 . . 3 . . . . 26 F HD1 . 16989 1 284 . 1 1 26 26 PHE HD2 H 1 7.688 . . 3 . . . . 26 F HD2 . 16989 1 285 . 1 1 26 26 PHE HE1 H 1 6.898 . . 3 . . . . 26 F HE1 . 16989 1 286 . 1 1 26 26 PHE HE2 H 1 6.886 . . 3 . . . . 26 F HE2 . 16989 1 287 . 1 1 26 26 PHE C C 13 175.668 . . 1 . . . . 26 F C . 16989 1 288 . 1 1 26 26 PHE CA C 13 60.366 . . 1 . . . . 26 F CA . 16989 1 289 . 1 1 26 26 PHE CB C 13 40.681 . . 1 . . . . 26 F CB . 16989 1 290 . 1 1 26 26 PHE CD1 C 13 131.786 . . 3 . . . . 26 F CD1 . 16989 1 291 . 1 1 26 26 PHE CD2 C 13 138.249 . . 3 . . . . 26 F CD2 . 16989 1 292 . 1 1 26 26 PHE CE1 C 13 128.433 . . 3 . . . . 26 F CE1 . 16989 1 293 . 1 1 26 26 PHE CE2 C 13 130.838 . . 3 . . . . 26 F CE2 . 16989 1 294 . 1 1 26 26 PHE N N 15 112.300 . . 1 . . . . 26 F N . 16989 1 295 . 1 1 27 27 ILE H H 1 8.663 . . 1 . . . . 27 I HN . 16989 1 296 . 1 1 27 27 ILE HA H 1 4.673 . . 1 . . . . 27 I HA . 16989 1 297 . 1 1 27 27 ILE HB H 1 1.551 . . 1 . . . . 27 I HB . 16989 1 298 . 1 1 27 27 ILE HD11 H 1 1.073 . . . . . . . 27 I QD1 . 16989 1 299 . 1 1 27 27 ILE HD12 H 1 1.073 . . . . . . . 27 I QD1 . 16989 1 300 . 1 1 27 27 ILE HD13 H 1 1.073 . . . . . . . 27 I QD1 . 16989 1 301 . 1 1 27 27 ILE HG12 H 1 1.378 . . 2 . . . . 27 I HG12 . 16989 1 302 . 1 1 27 27 ILE HG13 H 1 1.316 . . 2 . . . . 27 I HG13 . 16989 1 303 . 1 1 27 27 ILE HG21 H 1 0.924 . . . . . . . 27 I QG2 . 16989 1 304 . 1 1 27 27 ILE HG22 H 1 0.924 . . . . . . . 27 I QG2 . 16989 1 305 . 1 1 27 27 ILE HG23 H 1 0.924 . . . . . . . 27 I QG2 . 16989 1 306 . 1 1 27 27 ILE CA C 13 60.743 . . 1 . . . . 27 I CA . 16989 1 307 . 1 1 27 27 ILE CB C 13 38.386 . . 1 . . . . 27 I CB . 16989 1 308 . 1 1 27 27 ILE CD1 C 13 14.504 . . 1 . . . . 27 I CD1 . 16989 1 309 . 1 1 27 27 ILE CG1 C 13 29.631 . . 1 . . . . 27 I CG1 . 16989 1 310 . 1 1 27 27 ILE CG2 C 13 19.504 . . 1 . . . . 27 I CG2 . 16989 1 311 . 1 1 27 27 ILE N N 15 123.368 . . 1 . . . . 27 I N . 16989 1 312 . 1 1 28 28 PRO HA H 1 4.106 . . 1 . . . . 28 P HA . 16989 1 313 . 1 1 28 28 PRO HB2 H 1 1.929 . . 2 . . . . 28 P HB2 . 16989 1 314 . 1 1 28 28 PRO HB3 H 1 0.390 . . 2 . . . . 28 P HB3 . 16989 1 315 . 1 1 28 28 PRO HD2 H 1 3.774 . . 2 . . . . 28 P HD2 . 16989 1 316 . 1 1 28 28 PRO HD3 H 1 2.904 . . 2 . . . . 28 P HD3 . 16989 1 317 . 1 1 28 28 PRO HG2 H 1 1.624 . . 2 . . . . 28 P QG . 16989 1 318 . 1 1 28 28 PRO HG3 H 1 1.624 . . 2 . . . . 28 P QG . 16989 1 319 . 1 1 28 28 PRO C C 13 177.891 . . 1 . . . . 28 P C . 16989 1 320 . 1 1 28 28 PRO CA C 13 65.353 . . 1 . . . . 28 P CA . 16989 1 321 . 1 1 28 28 PRO CB C 13 30.812 . . 1 . . . . 28 P CB . 16989 1 322 . 1 1 28 28 PRO CD C 13 52.218 . . 1 . . . . 28 P CD . 16989 1 323 . 1 1 28 28 PRO CG C 13 28.334 . . 1 . . . . 28 P CG . 16989 1 324 . 1 1 29 29 PHE H H 1 7.543 . . 1 . . . . 29 F HN . 16989 1 325 . 1 1 29 29 PHE HA H 1 4.164 . . 1 . . . . 29 F HA . 16989 1 326 . 1 1 29 29 PHE HB2 H 1 3.293 . . 2 . . . . 29 F HB2 . 16989 1 327 . 1 1 29 29 PHE HB3 H 1 2.984 . . 2 . . . . 29 F HB3 . 16989 1 328 . 1 1 29 29 PHE HD1 H 1 7.546 . . 3 . . . . 29 F QD . 16989 1 329 . 1 1 29 29 PHE HD2 H 1 7.546 . . 3 . . . . 29 F QD . 16989 1 330 . 1 1 29 29 PHE HE1 H 1 7.335 . . 3 . . . . 29 F QE . 16989 1 331 . 1 1 29 29 PHE HE2 H 1 7.335 . . 3 . . . . 29 F QE . 16989 1 332 . 1 1 29 29 PHE C C 13 174.533 . . 1 . . . . 29 F C . 16989 1 333 . 1 1 29 29 PHE CA C 13 59.610 . . 1 . . . . 29 F CA . 16989 1 334 . 1 1 29 29 PHE CB C 13 38.803 . . 1 . . . . 29 F CB . 16989 1 335 . 1 1 29 29 PHE CD1 C 13 131.702 . . 3 . . . . 29 F CD1 . 16989 1 336 . 1 1 29 29 PHE CE1 C 13 131.653 . . 3 . . . . 29 F CE1 . 16989 1 337 . 1 1 29 29 PHE N N 15 112.082 . . 1 . . . . 29 F N . 16989 1 338 . 1 1 30 30 GLY H H 1 7.569 . . 1 . . . . 30 G HN . 16989 1 339 . 1 1 30 30 GLY HA2 H 1 4.985 . . 2 . . . . 30 G HA2 . 16989 1 340 . 1 1 30 30 GLY HA3 H 1 3.740 . . 2 . . . . 30 G HA3 . 16989 1 341 . 1 1 30 30 GLY C C 13 170.952 . . 1 . . . . 30 G C . 16989 1 342 . 1 1 30 30 GLY CA C 13 44.376 . . 1 . . . . 30 G CA . 16989 1 343 . 1 1 30 30 GLY N N 15 106.056 . . 1 . . . . 30 G N . 16989 1 344 . 1 1 31 31 ASP H H 1 7.969 . . 1 . . . . 31 D HN . 16989 1 345 . 1 1 31 31 ASP HA H 1 4.457 . . 1 . . . . 31 D HA . 16989 1 346 . 1 1 31 31 ASP HB2 H 1 2.589 . . 2 . . . . 31 D QB . 16989 1 347 . 1 1 31 31 ASP HB3 H 1 2.589 . . 2 . . . . 31 D QB . 16989 1 348 . 1 1 31 31 ASP C C 13 176.671 . . 1 . . . . 31 D C . 16989 1 349 . 1 1 31 31 ASP CA C 13 56.523 . . 1 . . . . 31 D CA . 16989 1 350 . 1 1 31 31 ASP CB C 13 41.143 . . 1 . . . . 31 D CB . 16989 1 351 . 1 1 31 31 ASP N N 15 114.241 . . 1 . . . . 31 D N . 16989 1 352 . 1 1 32 32 ILE H H 1 7.464 . . 1 . . . . 32 I HN . 16989 1 353 . 1 1 32 32 ILE HA H 1 4.107 . . 1 . . . . 32 I HA . 16989 1 354 . 1 1 32 32 ILE HB H 1 1.366 . . 1 . . . . 32 I HB . 16989 1 355 . 1 1 32 32 ILE HD11 H 1 0.348 . . . . . . . 32 I QD1 . 16989 1 356 . 1 1 32 32 ILE HD12 H 1 0.348 . . . . . . . 32 I QD1 . 16989 1 357 . 1 1 32 32 ILE HD13 H 1 0.348 . . . . . . . 32 I QD1 . 16989 1 358 . 1 1 32 32 ILE HG12 H 1 1.652 . . 2 . . . . 32 I HG12 . 16989 1 359 . 1 1 32 32 ILE HG13 H 1 -0.259 . . 2 . . . . 32 I HG13 . 16989 1 360 . 1 1 32 32 ILE HG21 H 1 0.628 . . . . . . . 32 I QG2 . 16989 1 361 . 1 1 32 32 ILE HG22 H 1 0.628 . . . . . . . 32 I QG2 . 16989 1 362 . 1 1 32 32 ILE HG23 H 1 0.628 . . . . . . . 32 I QG2 . 16989 1 363 . 1 1 32 32 ILE C C 13 176.762 . . 1 . . . . 32 I C . 16989 1 364 . 1 1 32 32 ILE CA C 13 60.704 . . 1 . . . . 32 I CA . 16989 1 365 . 1 1 32 32 ILE CB C 13 41.655 . . 1 . . . . 32 I CB . 16989 1 366 . 1 1 32 32 ILE CD1 C 13 14.443 . . 1 . . . . 32 I CD1 . 16989 1 367 . 1 1 32 32 ILE CG1 C 13 27.610 . . 1 . . . . 32 I CG1 . 16989 1 368 . 1 1 32 32 ILE CG2 C 13 17.197 . . 1 . . . . 32 I CG2 . 16989 1 369 . 1 1 32 32 ILE N N 15 124.418 . . 1 . . . . 32 I N . 16989 1 370 . 1 1 33 33 THR H H 1 8.979 . . 1 . . . . 33 T HN . 16989 1 371 . 1 1 33 33 THR HA H 1 4.218 . . 1 . . . . 33 T HA . 16989 1 372 . 1 1 33 33 THR HB H 1 3.934 . . 1 . . . . 33 T HB . 16989 1 373 . 1 1 33 33 THR HG21 H 1 1.024 . . . . . . . 33 T QG2 . 16989 1 374 . 1 1 33 33 THR HG22 H 1 1.024 . . . . . . . 33 T QG2 . 16989 1 375 . 1 1 33 33 THR HG23 H 1 1.024 . . . . . . . 33 T QG2 . 16989 1 376 . 1 1 33 33 THR C C 13 175.020 . . 1 . . . . 33 T C . 16989 1 377 . 1 1 33 33 THR CA C 13 63.098 . . 1 . . . . 33 T CA . 16989 1 378 . 1 1 33 33 THR CB C 13 68.700 . . 1 . . . . 33 T CB . 16989 1 379 . 1 1 33 33 THR CG2 C 13 22.625 . . 1 . . . . 33 T CG2 . 16989 1 380 . 1 1 33 33 THR N N 15 121.505 . . 1 . . . . 33 T N . 16989 1 381 . 1 1 34 34 ASP H H 1 7.493 . . 1 . . . . 34 D HN . 16989 1 382 . 1 1 34 34 ASP HA H 1 4.733 . . 1 . . . . 34 D HA . 16989 1 383 . 1 1 34 34 ASP HB2 H 1 2.699 . . 2 . . . . 34 D HB2 . 16989 1 384 . 1 1 34 34 ASP HB3 H 1 2.322 . . 2 . . . . 34 D HB3 . 16989 1 385 . 1 1 34 34 ASP C C 13 173.621 . . 1 . . . . 34 D C . 16989 1 386 . 1 1 34 34 ASP CA C 13 55.141 . . 1 . . . . 34 D CA . 16989 1 387 . 1 1 34 34 ASP CB C 13 44.363 . . 1 . . . . 34 D CB . 16989 1 388 . 1 1 34 34 ASP N N 15 119.802 . . 1 . . . . 34 D N . 16989 1 389 . 1 1 35 35 ILE H H 1 7.874 . . 1 . . . . 35 I HN . 16989 1 390 . 1 1 35 35 ILE HA H 1 4.637 . . 1 . . . . 35 I HA . 16989 1 391 . 1 1 35 35 ILE HB H 1 1.680 . . 1 . . . . 35 I HB . 16989 1 392 . 1 1 35 35 ILE HD11 H 1 0.905 . . . . . . . 35 I QD1 . 16989 1 393 . 1 1 35 35 ILE HD12 H 1 0.905 . . . . . . . 35 I QD1 . 16989 1 394 . 1 1 35 35 ILE HD13 H 1 0.905 . . . . . . . 35 I QD1 . 16989 1 395 . 1 1 35 35 ILE HG12 H 1 1.676 . . . . . . . 35 I QG1 . 16989 1 396 . 1 1 35 35 ILE HG13 H 1 1.676 . . . . . . . 35 I QG1 . 16989 1 397 . 1 1 35 35 ILE HG21 H 1 0.668 . . . . . . . 35 I QG2 . 16989 1 398 . 1 1 35 35 ILE HG22 H 1 0.668 . . . . . . . 35 I QG2 . 16989 1 399 . 1 1 35 35 ILE HG23 H 1 0.668 . . . . . . . 35 I QG2 . 16989 1 400 . 1 1 35 35 ILE C C 13 174.470 . . 1 . . . . 35 I C . 16989 1 401 . 1 1 35 35 ILE CA C 13 61.418 . . 1 . . . . 35 I CA . 16989 1 402 . 1 1 35 35 ILE CB C 13 41.438 . . 1 . . . . 35 I CB . 16989 1 403 . 1 1 35 35 ILE CD1 C 13 13.612 . . 1 . . . . 35 I CD1 . 16989 1 404 . 1 1 35 35 ILE CG1 C 13 28.646 . . 1 . . . . 35 I CG1 . 16989 1 405 . 1 1 35 35 ILE CG2 C 13 17.078 . . 1 . . . . 35 I CG2 . 16989 1 406 . 1 1 35 35 ILE N N 15 123.048 . . 1 . . . . 35 I N . 16989 1 407 . 1 1 36 36 GLN H H 1 8.970 . . 1 . . . . 36 Q HN . 16989 1 408 . 1 1 36 36 GLN HA H 1 4.647 . . 1 . . . . 36 Q HA . 16989 1 409 . 1 1 36 36 GLN HB2 H 1 2.150 . . 2 . . . . 36 Q HB2 . 16989 1 410 . 1 1 36 36 GLN HB3 H 1 1.980 . . 2 . . . . 36 Q HB3 . 16989 1 411 . 1 1 36 36 GLN HG2 H 1 2.314 . . 2 . . . . 36 Q HG2 . 16989 1 412 . 1 1 36 36 GLN HG3 H 1 2.261 . . 2 . . . . 36 Q HG3 . 16989 1 413 . 1 1 36 36 GLN C C 13 174.450 . . 1 . . . . 36 Q C . 16989 1 414 . 1 1 36 36 GLN CA C 13 54.153 . . 1 . . . . 36 Q CA . 16989 1 415 . 1 1 36 36 GLN CB C 13 32.081 . . 1 . . . . 36 Q CB . 16989 1 416 . 1 1 36 36 GLN CG C 13 33.171 . . 1 . . . . 36 Q CG . 16989 1 417 . 1 1 36 36 GLN N N 15 126.092 . . 1 . . . . 36 Q N . 16989 1 418 . 1 1 37 37 ILE H H 1 8.715 . . 1 . . . . 37 I HN . 16989 1 419 . 1 1 37 37 ILE HA H 1 4.402 . . 1 . . . . 37 I HA . 16989 1 420 . 1 1 37 37 ILE HB H 1 1.716 . . 1 . . . . 37 I HB . 16989 1 421 . 1 1 37 37 ILE HD11 H 1 0.496 . . . . . . . 37 I QD1 . 16989 1 422 . 1 1 37 37 ILE HD12 H 1 0.496 . . . . . . . 37 I QD1 . 16989 1 423 . 1 1 37 37 ILE HD13 H 1 0.496 . . . . . . . 37 I QD1 . 16989 1 424 . 1 1 37 37 ILE HG12 H 1 1.273 . . 2 . . . . 37 I HG12 . 16989 1 425 . 1 1 37 37 ILE HG13 H 1 0.518 . . 2 . . . . 37 I HG13 . 16989 1 426 . 1 1 37 37 ILE HG21 H 1 0.587 . . . . . . . 37 I QG2 . 16989 1 427 . 1 1 37 37 ILE HG22 H 1 0.587 . . . . . . . 37 I QG2 . 16989 1 428 . 1 1 37 37 ILE HG23 H 1 0.587 . . . . . . . 37 I QG2 . 16989 1 429 . 1 1 37 37 ILE CA C 13 58.352 . . 1 . . . . 37 I CA . 16989 1 430 . 1 1 37 37 ILE CB C 13 38.654 . . 1 . . . . 37 I CB . 16989 1 431 . 1 1 37 37 ILE CD1 C 13 13.196 . . 1 . . . . 37 I CD1 . 16989 1 432 . 1 1 37 37 ILE CG1 C 13 26.641 . . 1 . . . . 37 I CG1 . 16989 1 433 . 1 1 37 37 ILE CG2 C 13 17.423 . . 1 . . . . 37 I CG2 . 16989 1 434 . 1 1 37 37 ILE N N 15 123.907 . . 1 . . . . 37 I N . 16989 1 435 . 1 1 38 38 PRO HA H 1 4.258 . . 1 . . . . 38 P HA . 16989 1 436 . 1 1 38 38 PRO HB2 H 1 2.353 . . 2 . . . . 38 P HB2 . 16989 1 437 . 1 1 38 38 PRO HB3 H 1 1.596 . . 2 . . . . 38 P HB3 . 16989 1 438 . 1 1 38 38 PRO HD2 H 1 3.562 . . 2 . . . . 38 P HD2 . 16989 1 439 . 1 1 38 38 PRO HD3 H 1 3.163 . . 2 . . . . 38 P HD3 . 16989 1 440 . 1 1 38 38 PRO HG2 H 1 1.942 . . 2 . . . . 38 P QG . 16989 1 441 . 1 1 38 38 PRO HG3 H 1 1.942 . . 2 . . . . 38 P QG . 16989 1 442 . 1 1 38 38 PRO C C 13 175.992 . . 1 . . . . 38 P C . 16989 1 443 . 1 1 38 38 PRO CA C 13 63.284 . . 1 . . . . 38 P CA . 16989 1 444 . 1 1 38 38 PRO CB C 13 32.277 . . 1 . . . . 38 P CB . 16989 1 445 . 1 1 38 38 PRO CD C 13 50.358 . . 1 . . . . 38 P CD . 16989 1 446 . 1 1 38 38 PRO CG C 13 27.865 . . 1 . . . . 38 P CG . 16989 1 447 . 1 1 39 39 LEU H H 1 8.245 . . 1 . . . . 39 L HN . 16989 1 448 . 1 1 39 39 LEU HA H 1 4.428 . . 1 . . . . 39 L HA . 16989 1 449 . 1 1 39 39 LEU HB2 H 1 1.383 . . 2 . . . . 39 L HB2 . 16989 1 450 . 1 1 39 39 LEU HB3 H 1 0.909 . . 2 . . . . 39 L HB3 . 16989 1 451 . 1 1 39 39 LEU HD11 H 1 0.750 . . . . . . . 39 L QD1 . 16989 1 452 . 1 1 39 39 LEU HD12 H 1 0.750 . . . . . . . 39 L QD1 . 16989 1 453 . 1 1 39 39 LEU HD13 H 1 0.750 . . . . . . . 39 L QD1 . 16989 1 454 . 1 1 39 39 LEU HD21 H 1 0.578 . . . . . . . 39 L QD2 . 16989 1 455 . 1 1 39 39 LEU HD22 H 1 0.578 . . . . . . . 39 L QD2 . 16989 1 456 . 1 1 39 39 LEU HD23 H 1 0.578 . . . . . . . 39 L QD2 . 16989 1 457 . 1 1 39 39 LEU HG H 1 1.598 . . 1 . . . . 39 L HG . 16989 1 458 . 1 1 39 39 LEU C C 13 177.489 . . 1 . . . . 39 L C . 16989 1 459 . 1 1 39 39 LEU CA C 13 53.450 . . 1 . . . . 39 L CA . 16989 1 460 . 1 1 39 39 LEU CB C 13 44.088 . . 1 . . . . 39 L CB . 16989 1 461 . 1 1 39 39 LEU CD1 C 13 24.981 . . 2 . . . . 39 L CD1 . 16989 1 462 . 1 1 39 39 LEU CD2 C 13 22.747 . . 2 . . . . 39 L CD2 . 16989 1 463 . 1 1 39 39 LEU CG C 13 26.398 . . 1 . . . . 39 L CG . 16989 1 464 . 1 1 39 39 LEU N N 15 121.470 . . 1 . . . . 39 L N . 16989 1 465 . 1 1 40 40 ASP H H 1 8.452 . . 1 . . . . 40 D HN . 16989 1 466 . 1 1 40 40 ASP HA H 1 4.574 . . 1 . . . . 40 D HA . 16989 1 467 . 1 1 40 40 ASP HB2 H 1 3.161 . . 2 . . . . 40 D HB2 . 16989 1 468 . 1 1 40 40 ASP HB3 H 1 2.345 . . 2 . . . . 40 D HB3 . 16989 1 469 . 1 1 40 40 ASP C C 13 177.154 . . 1 . . . . 40 D C . 16989 1 470 . 1 1 40 40 ASP CA C 13 53.765 . . 1 . . . . 40 D CA . 16989 1 471 . 1 1 40 40 ASP CB C 13 42.279 . . 1 . . . . 40 D CB . 16989 1 472 . 1 1 40 40 ASP N N 15 122.183 . . 1 . . . . 40 D N . 16989 1 473 . 1 1 41 41 TYR H H 1 8.475 . . 1 . . . . 41 Y HN . 16989 1 474 . 1 1 41 41 TYR HA H 1 4.166 . . 1 . . . . 41 Y HA . 16989 1 475 . 1 1 41 41 TYR HB2 H 1 3.068 . . 2 . . . . 41 Y HB2 . 16989 1 476 . 1 1 41 41 TYR HB3 H 1 3.001 . . 2 . . . . 41 Y HB3 . 16989 1 477 . 1 1 41 41 TYR HD1 H 1 7.155 . . 3 . . . . 41 Y QD . 16989 1 478 . 1 1 41 41 TYR HD2 H 1 7.155 . . 3 . . . . 41 Y QD . 16989 1 479 . 1 1 41 41 TYR HE1 H 1 6.860 . . 3 . . . . 41 Y QE . 16989 1 480 . 1 1 41 41 TYR HE2 H 1 6.860 . . 3 . . . . 41 Y QE . 16989 1 481 . 1 1 41 41 TYR C C 13 176.754 . . 1 . . . . 41 Y C . 16989 1 482 . 1 1 41 41 TYR CA C 13 60.635 . . 1 . . . . 41 Y CA . 16989 1 483 . 1 1 41 41 TYR CB C 13 37.989 . . 1 . . . . 41 Y CB . 16989 1 484 . 1 1 41 41 TYR CD1 C 13 133.038 . . 3 . . . . 41 Y CD1 . 16989 1 485 . 1 1 41 41 TYR N N 15 125.482 . . 1 . . . . 41 Y N . 16989 1 486 . 1 1 42 42 GLU H H 1 8.531 . . 1 . . . . 42 E HN . 16989 1 487 . 1 1 42 42 GLU HA H 1 4.160 . . 1 . . . . 42 E HA . 16989 1 488 . 1 1 42 42 GLU HB2 H 1 2.110 . . 2 . . . . 42 E QB . 16989 1 489 . 1 1 42 42 GLU HB3 H 1 2.110 . . 2 . . . . 42 E QB . 16989 1 490 . 1 1 42 42 GLU HG2 H 1 2.202 . . 2 . . . . 42 E QG . 16989 1 491 . 1 1 42 42 GLU HG3 H 1 2.202 . . 2 . . . . 42 E QG . 16989 1 492 . 1 1 42 42 GLU C C 13 178.090 . . 1 . . . . 42 E C . 16989 1 493 . 1 1 42 42 GLU CA C 13 58.613 . . 1 . . . . 42 E CA . 16989 1 494 . 1 1 42 42 GLU CB C 13 30.175 . . 1 . . . . 42 E CB . 16989 1 495 . 1 1 42 42 GLU CG C 13 36.846 . . 1 . . . . 42 E CG . 16989 1 496 . 1 1 42 42 GLU N N 15 117.755 . . 1 . . . . 42 E N . 16989 1 497 . 1 1 43 43 THR H H 1 7.718 . . 1 . . . . 43 T HN . 16989 1 498 . 1 1 43 43 THR HA H 1 4.282 . . 1 . . . . 43 T HA . 16989 1 499 . 1 1 43 43 THR HB H 1 4.230 . . 1 . . . . 43 T HB . 16989 1 500 . 1 1 43 43 THR HG21 H 1 1.149 . . . . . . . 43 T QG2 . 16989 1 501 . 1 1 43 43 THR HG22 H 1 1.149 . . . . . . . 43 T QG2 . 16989 1 502 . 1 1 43 43 THR HG23 H 1 1.149 . . . . . . . 43 T QG2 . 16989 1 503 . 1 1 43 43 THR C C 13 175.290 . . 1 . . . . 43 T C . 16989 1 504 . 1 1 43 43 THR CA C 13 61.702 . . 1 . . . . 43 T CA . 16989 1 505 . 1 1 43 43 THR CB C 13 70.524 . . 1 . . . . 43 T CB . 16989 1 506 . 1 1 43 43 THR CG2 C 13 21.693 . . 1 . . . . 43 T CG2 . 16989 1 507 . 1 1 43 43 THR N N 15 107.362 . . 1 . . . . 43 T N . 16989 1 508 . 1 1 44 44 GLU H H 1 8.297 . . 1 . . . . 44 E HN . 16989 1 509 . 1 1 44 44 GLU HA H 1 3.726 . . 1 . . . . 44 E HA . 16989 1 510 . 1 1 44 44 GLU HB2 H 1 2.204 . . 2 . . . . 44 E QB . 16989 1 511 . 1 1 44 44 GLU HB3 H 1 2.204 . . 2 . . . . 44 E QB . 16989 1 512 . 1 1 44 44 GLU HG2 H 1 2.093 . . 2 . . . . 44 E QG . 16989 1 513 . 1 1 44 44 GLU HG3 H 1 2.093 . . 2 . . . . 44 E QG . 16989 1 514 . 1 1 44 44 GLU C C 13 174.432 . . 1 . . . . 44 E C . 16989 1 515 . 1 1 44 44 GLU CA C 13 58.177 . . 1 . . . . 44 E CA . 16989 1 516 . 1 1 44 44 GLU CB C 13 27.420 . . 1 . . . . 44 E CB . 16989 1 517 . 1 1 44 44 GLU CG C 13 37.285 . . 1 . . . . 44 E CG . 16989 1 518 . 1 1 44 44 GLU N N 15 116.190 . . 1 . . . . 44 E N . 16989 1 519 . 1 1 45 45 LYS H H 1 7.669 . . 1 . . . . 45 K HN . 16989 1 520 . 1 1 45 45 LYS HA H 1 4.588 . . 1 . . . . 45 K HA . 16989 1 521 . 1 1 45 45 LYS HB2 H 1 1.768 . . 2 . . . . 45 K HB2 . 16989 1 522 . 1 1 45 45 LYS HB3 H 1 1.536 . . 2 . . . . 45 K HB3 . 16989 1 523 . 1 1 45 45 LYS HD2 H 1 1.550 . . 2 . . . . 45 K QD . 16989 1 524 . 1 1 45 45 LYS HD3 H 1 1.550 . . 2 . . . . 45 K QD . 16989 1 525 . 1 1 45 45 LYS HE2 H 1 2.918 . . 2 . . . . 45 K QE . 16989 1 526 . 1 1 45 45 LYS HE3 H 1 2.918 . . 2 . . . . 45 K QE . 16989 1 527 . 1 1 45 45 LYS HG2 H 1 1.331 . . 2 . . . . 45 K QG . 16989 1 528 . 1 1 45 45 LYS HG3 H 1 1.331 . . 2 . . . . 45 K QG . 16989 1 529 . 1 1 45 45 LYS C C 13 176.181 . . 1 . . . . 45 K C . 16989 1 530 . 1 1 45 45 LYS CA C 13 54.498 . . 1 . . . . 45 K CA . 16989 1 531 . 1 1 45 45 LYS CB C 13 35.387 . . 1 . . . . 45 K CB . 16989 1 532 . 1 1 45 45 LYS CD C 13 29.030 . . 1 . . . . 45 K CD . 16989 1 533 . 1 1 45 45 LYS CE C 13 42.241 . . 1 . . . . 45 K CE . 16989 1 534 . 1 1 45 45 LYS CG C 13 24.706 . . 1 . . . . 45 K CG . 16989 1 535 . 1 1 45 45 LYS N N 15 117.703 . . 1 . . . . 45 K N . 16989 1 536 . 1 1 46 46 HIS H H 1 8.032 . . 1 . . . . 46 H HN . 16989 1 537 . 1 1 46 46 HIS HA H 1 4.893 . . 1 . . . . 46 H HA . 16989 1 538 . 1 1 46 46 HIS HB2 H 1 3.455 . . 2 . . . . 46 H HB2 . 16989 1 539 . 1 1 46 46 HIS HB3 H 1 2.731 . . 2 . . . . 46 H HB3 . 16989 1 540 . 1 1 46 46 HIS HD2 H 1 7.091 . . 1 . . . . 46 H HD2 . 16989 1 541 . 1 1 46 46 HIS C C 13 175.857 . . 1 . . . . 46 H C . 16989 1 542 . 1 1 46 46 HIS CA C 13 55.705 . . 1 . . . . 46 H CA . 16989 1 543 . 1 1 46 46 HIS CB C 13 31.061 . . 1 . . . . 46 H CB . 16989 1 544 . 1 1 46 46 HIS CD2 C 13 119.378 . . 1 . . . . 46 H CD2 . 16989 1 545 . 1 1 46 46 HIS N N 15 117.769 . . 1 . . . . 46 H N . 16989 1 546 . 1 1 47 47 ARG H H 1 8.761 . . 1 . . . . 47 R HN . 16989 1 547 . 1 1 47 47 ARG HA H 1 4.498 . . 1 . . . . 47 R HA . 16989 1 548 . 1 1 47 47 ARG HB2 H 1 2.378 . . 2 . . . . 47 R HB2 . 16989 1 549 . 1 1 47 47 ARG HB3 H 1 1.594 . . 2 . . . . 47 R HB3 . 16989 1 550 . 1 1 47 47 ARG HD2 H 1 3.122 . . 2 . . . . 47 R QD . 16989 1 551 . 1 1 47 47 ARG HD3 H 1 3.122 . . 2 . . . . 47 R QD . 16989 1 552 . 1 1 47 47 ARG HG2 H 1 1.579 . . 2 . . . . 47 R QG . 16989 1 553 . 1 1 47 47 ARG HG3 H 1 1.579 . . 2 . . . . 47 R QG . 16989 1 554 . 1 1 47 47 ARG C C 13 177.960 . . 1 . . . . 47 R C . 16989 1 555 . 1 1 47 47 ARG CA C 13 55.707 . . 1 . . . . 47 R CA . 16989 1 556 . 1 1 47 47 ARG CB C 13 31.359 . . 1 . . . . 47 R CB . 16989 1 557 . 1 1 47 47 ARG CD C 13 44.170 . . 1 . . . . 47 R CD . 16989 1 558 . 1 1 47 47 ARG CG C 13 27.675 . . 1 . . . . 47 R CG . 16989 1 559 . 1 1 47 47 ARG N N 15 118.910 . . 1 . . . . 47 R N . 16989 1 560 . 1 1 48 48 GLY H H 1 10.884 . . 1 . . . . 48 G HN . 16989 1 561 . 1 1 48 48 GLY HA2 H 1 4.458 . . 2 . . . . 48 G HA2 . 16989 1 562 . 1 1 48 48 GLY HA3 H 1 3.914 . . 2 . . . . 48 G HA3 . 16989 1 563 . 1 1 48 48 GLY C C 13 173.106 . . 1 . . . . 48 G C . 16989 1 564 . 1 1 48 48 GLY CA C 13 45.677 . . 1 . . . . 48 G CA . 16989 1 565 . 1 1 48 48 GLY N N 15 113.228 . . 1 . . . . 48 G N . 16989 1 566 . 1 1 49 49 PHE H H 1 6.995 . . 1 . . . . 49 F HN . 16989 1 567 . 1 1 49 49 PHE HA H 1 5.555 . . 1 . . . . 49 F HA . 16989 1 568 . 1 1 49 49 PHE HB2 H 1 2.906 . . 2 . . . . 49 F HB2 . 16989 1 569 . 1 1 49 49 PHE HB3 H 1 2.541 . . 2 . . . . 49 F HB3 . 16989 1 570 . 1 1 49 49 PHE HD1 H 1 6.628 . . 3 . . . . 49 F QD . 16989 1 571 . 1 1 49 49 PHE HD2 H 1 6.628 . . 3 . . . . 49 F QD . 16989 1 572 . 1 1 49 49 PHE HE1 H 1 7.251 . . 3 . . . . 49 F QE . 16989 1 573 . 1 1 49 49 PHE HE2 H 1 7.251 . . 3 . . . . 49 F QE . 16989 1 574 . 1 1 49 49 PHE C C 13 171.627 . . 1 . . . . 49 F C . 16989 1 575 . 1 1 49 49 PHE CA C 13 54.871 . . 1 . . . . 49 F CA . 16989 1 576 . 1 1 49 49 PHE CB C 13 42.074 . . 1 . . . . 49 F CB . 16989 1 577 . 1 1 49 49 PHE CD1 C 13 132.679 . . 3 . . . . 49 F CD1 . 16989 1 578 . 1 1 49 49 PHE CE1 C 13 139.018 . . 3 . . . . 49 F CE1 . 16989 1 579 . 1 1 49 49 PHE N N 15 114.999 . . 1 . . . . 49 F N . 16989 1 580 . 1 1 50 50 ALA H H 1 8.660 . . 1 . . . . 50 A HN . 16989 1 581 . 1 1 50 50 ALA HA H 1 4.467 . . 1 . . . . 50 A HA . 16989 1 582 . 1 1 50 50 ALA HB1 H 1 0.839 . . . . . . . 50 A QB . 16989 1 583 . 1 1 50 50 ALA HB2 H 1 0.839 . . . . . . . 50 A QB . 16989 1 584 . 1 1 50 50 ALA HB3 H 1 0.839 . . . . . . . 50 A QB . 16989 1 585 . 1 1 50 50 ALA C C 13 173.844 . . 1 . . . . 50 A C . 16989 1 586 . 1 1 50 50 ALA CA C 13 49.876 . . 1 . . . . 50 A CA . 16989 1 587 . 1 1 50 50 ALA CB C 13 25.985 . . 1 . . . . 50 A CB . 16989 1 588 . 1 1 50 50 ALA N N 15 119.664 . . 1 . . . . 50 A N . 16989 1 589 . 1 1 51 51 PHE H H 1 8.712 . . 1 . . . . 51 F HN . 16989 1 590 . 1 1 51 51 PHE HA H 1 5.876 . . 1 . . . . 51 F HA . 16989 1 591 . 1 1 51 51 PHE HB2 H 1 2.816 . . 2 . . . . 51 F HB2 . 16989 1 592 . 1 1 51 51 PHE HB3 H 1 2.658 . . 2 . . . . 51 F HB3 . 16989 1 593 . 1 1 51 51 PHE HD1 H 1 7.154 . . 3 . . . . 51 F QD . 16989 1 594 . 1 1 51 51 PHE HD2 H 1 7.154 . . 3 . . . . 51 F QD . 16989 1 595 . 1 1 51 51 PHE HE1 H 1 7.471 . . 3 . . . . 51 F QE . 16989 1 596 . 1 1 51 51 PHE HE2 H 1 7.471 . . 3 . . . . 51 F QE . 16989 1 597 . 1 1 51 51 PHE C C 13 175.817 . . 1 . . . . 51 F C . 16989 1 598 . 1 1 51 51 PHE CA C 13 55.822 . . 1 . . . . 51 F CA . 16989 1 599 . 1 1 51 51 PHE CB C 13 41.720 . . 1 . . . . 51 F CB . 16989 1 600 . 1 1 51 51 PHE CD1 C 13 131.739 . . 3 . . . . 51 F CD1 . 16989 1 601 . 1 1 51 51 PHE CE1 C 13 131.646 . . 3 . . . . 51 F CE1 . 16989 1 602 . 1 1 51 51 PHE N N 15 114.448 . . 1 . . . . 51 F N . 16989 1 603 . 1 1 52 52 VAL H H 1 8.709 . . 1 . . . . 52 V HN . 16989 1 604 . 1 1 52 52 VAL HA H 1 4.276 . . 1 . . . . 52 V HA . 16989 1 605 . 1 1 52 52 VAL HB H 1 1.377 . . 1 . . . . 52 V HB . 16989 1 606 . 1 1 52 52 VAL HG11 H 1 0.225 . . . . . . . 52 V QG1 . 16989 1 607 . 1 1 52 52 VAL HG12 H 1 0.225 . . . . . . . 52 V QG1 . 16989 1 608 . 1 1 52 52 VAL HG13 H 1 0.225 . . . . . . . 52 V QG1 . 16989 1 609 . 1 1 52 52 VAL HG21 H 1 0.247 . . . . . . . 52 V QG2 . 16989 1 610 . 1 1 52 52 VAL HG22 H 1 0.247 . . . . . . . 52 V QG2 . 16989 1 611 . 1 1 52 52 VAL HG23 H 1 0.247 . . . . . . . 52 V QG2 . 16989 1 612 . 1 1 52 52 VAL C C 13 172.966 . . 1 . . . . 52 V C . 16989 1 613 . 1 1 52 52 VAL CA C 13 61.247 . . 1 . . . . 52 V CA . 16989 1 614 . 1 1 52 52 VAL CB C 13 34.881 . . 1 . . . . 52 V CB . 16989 1 615 . 1 1 52 52 VAL CG1 C 13 21.105 . . 2 . . . . 52 V CG1 . 16989 1 616 . 1 1 52 52 VAL CG2 C 13 20.316 . . 2 . . . . 52 V CG2 . 16989 1 617 . 1 1 52 52 VAL N N 15 122.739 . . 1 . . . . 52 V N . 16989 1 618 . 1 1 53 53 GLU H H 1 9.015 . . 1 . . . . 53 E HN . 16989 1 619 . 1 1 53 53 GLU HA H 1 5.134 . . 1 . . . . 53 E HA . 16989 1 620 . 1 1 53 53 GLU HB2 H 1 2.039 . . 2 . . . . 53 E HB2 . 16989 1 621 . 1 1 53 53 GLU HB3 H 1 1.725 . . 2 . . . . 53 E HB3 . 16989 1 622 . 1 1 53 53 GLU HG2 H 1 2.014 . . 2 . . . . 53 E HG2 . 16989 1 623 . 1 1 53 53 GLU HG3 H 1 1.894 . . 2 . . . . 53 E HG3 . 16989 1 624 . 1 1 53 53 GLU C C 13 175.000 . . 1 . . . . 53 E C . 16989 1 625 . 1 1 53 53 GLU CA C 13 54.417 . . 1 . . . . 53 E CA . 16989 1 626 . 1 1 53 53 GLU CB C 13 33.182 . . 1 . . . . 53 E CB . 16989 1 627 . 1 1 53 53 GLU CG C 13 36.830 . . 1 . . . . 53 E CG . 16989 1 628 . 1 1 53 53 GLU N N 15 129.414 . . 1 . . . . 53 E N . 16989 1 629 . 1 1 54 54 PHE H H 1 8.621 . . 1 . . . . 54 F HN . 16989 1 630 . 1 1 54 54 PHE HA H 1 4.827 . . 1 . . . . 54 F HA . 16989 1 631 . 1 1 54 54 PHE HB2 H 1 3.716 . . 2 . . . . 54 F HB2 . 16989 1 632 . 1 1 54 54 PHE HB3 H 1 2.640 . . 2 . . . . 54 F HB3 . 16989 1 633 . 1 1 54 54 PHE HD1 H 1 7.165 . . 3 . . . . 54 F QD . 16989 1 634 . 1 1 54 54 PHE HD2 H 1 7.165 . . 3 . . . . 54 F QD . 16989 1 635 . 1 1 54 54 PHE HE1 H 1 7.185 . . 3 . . . . 54 F QE . 16989 1 636 . 1 1 54 54 PHE HE2 H 1 7.185 . . 3 . . . . 54 F QE . 16989 1 637 . 1 1 54 54 PHE C C 13 175.749 . . 1 . . . . 54 F C . 16989 1 638 . 1 1 54 54 PHE CA C 13 58.152 . . 1 . . . . 54 F CA . 16989 1 639 . 1 1 54 54 PHE CB C 13 41.465 . . 1 . . . . 54 F CB . 16989 1 640 . 1 1 54 54 PHE N N 15 126.301 . . 1 . . . . 54 F N . 16989 1 641 . 1 1 55 55 GLU H H 1 8.088 . . 1 . . . . 55 E HN . 16989 1 642 . 1 1 55 55 GLU HA H 1 3.930 . . 1 . . . . 55 E HA . 16989 1 643 . 1 1 55 55 GLU HB2 H 1 2.255 . . 2 . . . . 55 E HB2 . 16989 1 644 . 1 1 55 55 GLU HB3 H 1 1.985 . . 2 . . . . 55 E HB3 . 16989 1 645 . 1 1 55 55 GLU HG2 H 1 2.193 . . 2 . . . . 55 E QG . 16989 1 646 . 1 1 55 55 GLU HG3 H 1 2.193 . . 2 . . . . 55 E QG . 16989 1 647 . 1 1 55 55 GLU C C 13 176.527 . . 1 . . . . 55 E C . 16989 1 648 . 1 1 55 55 GLU CA C 13 59.784 . . 1 . . . . 55 E CA . 16989 1 649 . 1 1 55 55 GLU CB C 13 29.951 . . 1 . . . . 55 E CB . 16989 1 650 . 1 1 55 55 GLU CG C 13 36.163 . . 1 . . . . 55 E CG . 16989 1 651 . 1 1 55 55 GLU N N 15 121.200 . . 1 . . . . 55 E N . 16989 1 652 . 1 1 56 56 LEU H H 1 9.341 . . 1 . . . . 56 L HN . 16989 1 653 . 1 1 56 56 LEU HA H 1 4.829 . . 1 . . . . 56 L HA . 16989 1 654 . 1 1 56 56 LEU HB2 H 1 1.843 . . 2 . . . . 56 L HB2 . 16989 1 655 . 1 1 56 56 LEU HB3 H 1 1.596 . . 2 . . . . 56 L HB3 . 16989 1 656 . 1 1 56 56 LEU HD11 H 1 1.028 . . . . . . . 56 L QD1 . 16989 1 657 . 1 1 56 56 LEU HD12 H 1 1.028 . . . . . . . 56 L QD1 . 16989 1 658 . 1 1 56 56 LEU HD13 H 1 1.028 . . . . . . . 56 L QD1 . 16989 1 659 . 1 1 56 56 LEU HD21 H 1 0.956 . . . . . . . 56 L QD2 . 16989 1 660 . 1 1 56 56 LEU HD22 H 1 0.956 . . . . . . . 56 L QD2 . 16989 1 661 . 1 1 56 56 LEU HD23 H 1 0.956 . . . . . . . 56 L QD2 . 16989 1 662 . 1 1 56 56 LEU HG H 1 1.697 . . 1 . . . . 56 L HG . 16989 1 663 . 1 1 56 56 LEU C C 13 178.101 . . 1 . . . . 56 L C . 16989 1 664 . 1 1 56 56 LEU CA C 13 52.983 . . 1 . . . . 56 L CA . 16989 1 665 . 1 1 56 56 LEU CB C 13 43.165 . . 1 . . . . 56 L CB . 16989 1 666 . 1 1 56 56 LEU CD1 C 13 25.154 . . 2 . . . . 56 L CD1 . 16989 1 667 . 1 1 56 56 LEU CD2 C 13 23.141 . . 2 . . . . 56 L CD2 . 16989 1 668 . 1 1 56 56 LEU CG C 13 26.825 . . 1 . . . . 56 L CG . 16989 1 669 . 1 1 56 56 LEU N N 15 116.287 . . 1 . . . . 56 L N . 16989 1 670 . 1 1 57 57 ALA H H 1 8.968 . . 1 . . . . 57 A HN . 16989 1 671 . 1 1 57 57 ALA HA H 1 3.925 . . 1 . . . . 57 A HA . 16989 1 672 . 1 1 57 57 ALA HB1 H 1 1.389 . . . . . . . 57 A QB . 16989 1 673 . 1 1 57 57 ALA HB2 H 1 1.389 . . . . . . . 57 A QB . 16989 1 674 . 1 1 57 57 ALA HB3 H 1 1.389 . . . . . . . 57 A QB . 16989 1 675 . 1 1 57 57 ALA C C 13 180.496 . . 1 . . . . 57 A C . 16989 1 676 . 1 1 57 57 ALA CA C 13 55.245 . . 1 . . . . 57 A CA . 16989 1 677 . 1 1 57 57 ALA CB C 13 18.606 . . 1 . . . . 57 A CB . 16989 1 678 . 1 1 57 57 ALA N N 15 127.071 . . 1 . . . . 57 A N . 16989 1 679 . 1 1 58 58 GLU H H 1 9.941 . . 1 . . . . 58 E HN . 16989 1 680 . 1 1 58 58 GLU HA H 1 4.066 . . 1 . . . . 58 E HA . 16989 1 681 . 1 1 58 58 GLU HB2 H 1 2.014 . . 2 . . . . 58 E QB . 16989 1 682 . 1 1 58 58 GLU HB3 H 1 2.014 . . 2 . . . . 58 E QB . 16989 1 683 . 1 1 58 58 GLU HG2 H 1 2.420 . . 2 . . . . 58 E HG2 . 16989 1 684 . 1 1 58 58 GLU HG3 H 1 2.335 . . 2 . . . . 58 E HG3 . 16989 1 685 . 1 1 58 58 GLU C C 13 178.449 . . 1 . . . . 58 E C . 16989 1 686 . 1 1 58 58 GLU CA C 13 59.765 . . 1 . . . . 58 E CA . 16989 1 687 . 1 1 58 58 GLU CB C 13 28.521 . . 1 . . . . 58 E CB . 16989 1 688 . 1 1 58 58 GLU CG C 13 36.667 . . 1 . . . . 58 E CG . 16989 1 689 . 1 1 58 58 GLU N N 15 118.481 . . 1 . . . . 58 E N . 16989 1 690 . 1 1 59 59 ASP H H 1 6.786 . . 1 . . . . 59 D HN . 16989 1 691 . 1 1 59 59 ASP HA H 1 4.420 . . 1 . . . . 59 D HA . 16989 1 692 . 1 1 59 59 ASP HB2 H 1 2.913 . . 2 . . . . 59 D HB2 . 16989 1 693 . 1 1 59 59 ASP HB3 H 1 2.587 . . 2 . . . . 59 D HB3 . 16989 1 694 . 1 1 59 59 ASP C C 13 176.720 . . 1 . . . . 59 D C . 16989 1 695 . 1 1 59 59 ASP CA C 13 56.515 . . 1 . . . . 59 D CA . 16989 1 696 . 1 1 59 59 ASP CB C 13 39.943 . . 1 . . . . 59 D CB . 16989 1 697 . 1 1 59 59 ASP N N 15 124.040 . . 1 . . . . 59 D N . 16989 1 698 . 1 1 60 60 ALA H H 1 6.963 . . 1 . . . . 60 A HN . 16989 1 699 . 1 1 60 60 ALA HA H 1 3.121 . . 1 . . . . 60 A HA . 16989 1 700 . 1 1 60 60 ALA HB1 H 1 1.350 . . . . . . . 60 A QB . 16989 1 701 . 1 1 60 60 ALA HB2 H 1 1.350 . . . . . . . 60 A QB . 16989 1 702 . 1 1 60 60 ALA HB3 H 1 1.350 . . . . . . . 60 A QB . 16989 1 703 . 1 1 60 60 ALA C C 13 178.759 . . 1 . . . . 60 A C . 16989 1 704 . 1 1 60 60 ALA CA C 13 54.523 . . 1 . . . . 60 A CA . 16989 1 705 . 1 1 60 60 ALA CB C 13 17.382 . . 1 . . . . 60 A CB . 16989 1 706 . 1 1 60 60 ALA N N 15 121.523 . . 1 . . . . 60 A N . 16989 1 707 . 1 1 61 61 ALA H H 1 7.747 . . 1 . . . . 61 A HN . 16989 1 708 . 1 1 61 61 ALA HA H 1 3.870 . . 1 . . . . 61 A HA . 16989 1 709 . 1 1 61 61 ALA HB1 H 1 1.414 . . . . . . . 61 A QB . 16989 1 710 . 1 1 61 61 ALA HB2 H 1 1.414 . . . . . . . 61 A QB . 16989 1 711 . 1 1 61 61 ALA HB3 H 1 1.414 . . . . . . . 61 A QB . 16989 1 712 . 1 1 61 61 ALA C C 13 179.892 . . 1 . . . . 61 A C . 16989 1 713 . 1 1 61 61 ALA CA C 13 54.995 . . 1 . . . . 61 A CA . 16989 1 714 . 1 1 61 61 ALA CB C 13 17.826 . . 1 . . . . 61 A CB . 16989 1 715 . 1 1 61 61 ALA N N 15 117.499 . . 1 . . . . 61 A N . 16989 1 716 . 1 1 62 62 ALA H H 1 7.309 . . 1 . . . . 62 A HN . 16989 1 717 . 1 1 62 62 ALA HA H 1 4.103 . . 1 . . . . 62 A HA . 16989 1 718 . 1 1 62 62 ALA HB1 H 1 1.630 . . . . . . . 62 A QB . 16989 1 719 . 1 1 62 62 ALA HB2 H 1 1.630 . . . . . . . 62 A QB . 16989 1 720 . 1 1 62 62 ALA HB3 H 1 1.630 . . . . . . . 62 A QB . 16989 1 721 . 1 1 62 62 ALA C C 13 180.255 . . 1 . . . . 62 A C . 16989 1 722 . 1 1 62 62 ALA CA C 13 54.766 . . 1 . . . . 62 A CA . 16989 1 723 . 1 1 62 62 ALA CB C 13 18.167 . . 1 . . . . 62 A CB . 16989 1 724 . 1 1 62 62 ALA N N 15 121.261 . . 1 . . . . 62 A N . 16989 1 725 . 1 1 63 63 ALA H H 1 7.831 . . 1 . . . . 63 A HN . 16989 1 726 . 1 1 63 63 ALA HA H 1 2.388 . . 1 . . . . 63 A HA . 16989 1 727 . 1 1 63 63 ALA HB1 H 1 1.159 . . . . . . . 63 A QB . 16989 1 728 . 1 1 63 63 ALA HB2 H 1 1.159 . . . . . . . 63 A QB . 16989 1 729 . 1 1 63 63 ALA HB3 H 1 1.159 . . . . . . . 63 A QB . 16989 1 730 . 1 1 63 63 ALA C C 13 179.636 . . 1 . . . . 63 A C . 16989 1 731 . 1 1 63 63 ALA CA C 13 54.655 . . 1 . . . . 63 A CA . 16989 1 732 . 1 1 63 63 ALA CB C 13 19.082 . . 1 . . . . 63 A CB . 16989 1 733 . 1 1 63 63 ALA N N 15 121.947 . . 1 . . . . 63 A N . 16989 1 734 . 1 1 64 64 ILE H H 1 7.815 . . 1 . . . . 64 I HN . 16989 1 735 . 1 1 64 64 ILE HA H 1 3.214 . . 1 . . . . 64 I HA . 16989 1 736 . 1 1 64 64 ILE HB H 1 1.827 . . 1 . . . . 64 I HB . 16989 1 737 . 1 1 64 64 ILE HD11 H 1 0.785 . . . . . . . 64 I QD1 . 16989 1 738 . 1 1 64 64 ILE HD12 H 1 0.785 . . . . . . . 64 I QD1 . 16989 1 739 . 1 1 64 64 ILE HD13 H 1 0.785 . . . . . . . 64 I QD1 . 16989 1 740 . 1 1 64 64 ILE HG12 H 1 1.841 . . 2 . . . . 64 I HG12 . 16989 1 741 . 1 1 64 64 ILE HG13 H 1 0.523 . . 2 . . . . 64 I HG13 . 16989 1 742 . 1 1 64 64 ILE HG21 H 1 0.918 . . . . . . . 64 I QG2 . 16989 1 743 . 1 1 64 64 ILE HG22 H 1 0.918 . . . . . . . 64 I QG2 . 16989 1 744 . 1 1 64 64 ILE HG23 H 1 0.918 . . . . . . . 64 I QG2 . 16989 1 745 . 1 1 64 64 ILE C C 13 177.913 . . 1 . . . . 64 I C . 16989 1 746 . 1 1 64 64 ILE CA C 13 66.597 . . 1 . . . . 64 I CA . 16989 1 747 . 1 1 64 64 ILE CB C 13 38.433 . . 1 . . . . 64 I CB . 16989 1 748 . 1 1 64 64 ILE CD1 C 13 14.204 . . 1 . . . . 64 I CD1 . 16989 1 749 . 1 1 64 64 ILE CG1 C 13 30.298 . . 1 . . . . 64 I CG1 . 16989 1 750 . 1 1 64 64 ILE CG2 C 13 17.377 . . 1 . . . . 64 I CG2 . 16989 1 751 . 1 1 64 64 ILE N N 15 118.528 . . 1 . . . . 64 I N . 16989 1 752 . 1 1 65 65 ASP H H 1 7.414 . . 1 . . . . 65 D HN . 16989 1 753 . 1 1 65 65 ASP HA H 1 4.278 . . 1 . . . . 65 D HA . 16989 1 754 . 1 1 65 65 ASP HB2 H 1 2.608 . . 2 . . . . 65 D QB . 16989 1 755 . 1 1 65 65 ASP HB3 H 1 2.608 . . 2 . . . . 65 D QB . 16989 1 756 . 1 1 65 65 ASP C C 13 177.932 . . 1 . . . . 65 D C . 16989 1 757 . 1 1 65 65 ASP CA C 13 57.122 . . 1 . . . . 65 D CA . 16989 1 758 . 1 1 65 65 ASP CB C 13 40.863 . . 1 . . . . 65 D CB . 16989 1 759 . 1 1 65 65 ASP N N 15 116.586 . . 1 . . . . 65 D N . 16989 1 760 . 1 1 66 66 ASN H H 1 7.387 . . 1 . . . . 66 N HN . 16989 1 761 . 1 1 66 66 ASN HA H 1 4.609 . . 1 . . . . 66 N HA . 16989 1 762 . 1 1 66 66 ASN HB2 H 1 2.552 . . 2 . . . . 66 N HB2 . 16989 1 763 . 1 1 66 66 ASN HB3 H 1 2.347 . . 2 . . . . 66 N HB3 . 16989 1 764 . 1 1 66 66 ASN C C 13 176.013 . . 1 . . . . 66 N C . 16989 1 765 . 1 1 66 66 ASN CA C 13 55.455 . . 1 . . . . 66 N CA . 16989 1 766 . 1 1 66 66 ASN CB C 13 42.359 . . 1 . . . . 66 N CB . 16989 1 767 . 1 1 66 66 ASN N N 15 112.689 . . 1 . . . . 66 N N . 16989 1 768 . 1 1 67 67 MET H H 1 8.230 . . 1 . . . . 67 M HN . 16989 1 769 . 1 1 67 67 MET HA H 1 4.855 . . 1 . . . . 67 M HA . 16989 1 770 . 1 1 67 67 MET HB2 H 1 2.079 . . 2 . . . . 67 M HB2 . 16989 1 771 . 1 1 67 67 MET HB3 H 1 1.702 . . 2 . . . . 67 M HB3 . 16989 1 772 . 1 1 67 67 MET HG2 H 1 2.006 . . 2 . . . . 67 M HG2 . 16989 1 773 . 1 1 67 67 MET HG3 H 1 1.793 . . 2 . . . . 67 M HG3 . 16989 1 774 . 1 1 67 67 MET C C 13 179.121 . . 1 . . . . 67 M C . 16989 1 775 . 1 1 67 67 MET CA C 13 53.804 . . 1 . . . . 67 M CA . 16989 1 776 . 1 1 67 67 MET CB C 13 32.956 . . 1 . . . . 67 M CB . 16989 1 777 . 1 1 67 67 MET CG C 13 33.485 . . 1 . . . . 67 M CG . 16989 1 778 . 1 1 67 67 MET N N 15 113.548 . . 1 . . . . 67 M N . 16989 1 779 . 1 1 68 68 ASN H H 1 8.188 . . 1 . . . . 68 N HN . 16989 1 780 . 1 1 68 68 ASN HA H 1 4.369 . . 1 . . . . 68 N HA . 16989 1 781 . 1 1 68 68 ASN HB2 H 1 3.224 . . 2 . . . . 68 N HB2 . 16989 1 782 . 1 1 68 68 ASN HB3 H 1 2.974 . . 2 . . . . 68 N HB3 . 16989 1 783 . 1 1 68 68 ASN C C 13 175.255 . . 1 . . . . 68 N C . 16989 1 784 . 1 1 68 68 ASN CA C 13 56.928 . . 1 . . . . 68 N CA . 16989 1 785 . 1 1 68 68 ASN CB C 13 38.727 . . 1 . . . . 68 N CB . 16989 1 786 . 1 1 68 68 ASN N N 15 119.504 . . 1 . . . . 68 N N . 16989 1 787 . 1 1 69 69 GLU H H 1 8.623 . . 1 . . . . 69 E HN . 16989 1 788 . 1 1 69 69 GLU HA H 1 3.939 . . 1 . . . . 69 E HA . 16989 1 789 . 1 1 69 69 GLU HB2 H 1 2.290 . . 2 . . . . 69 E HB2 . 16989 1 790 . 1 1 69 69 GLU HB3 H 1 2.189 . . 2 . . . . 69 E HB3 . 16989 1 791 . 1 1 69 69 GLU HG2 H 1 2.262 . . 2 . . . . 69 E HG2 . 16989 1 792 . 1 1 69 69 GLU HG3 H 1 2.122 . . 2 . . . . 69 E HG3 . 16989 1 793 . 1 1 69 69 GLU C C 13 174.961 . . 1 . . . . 69 E C . 16989 1 794 . 1 1 69 69 GLU CA C 13 58.934 . . 1 . . . . 69 E CA . 16989 1 795 . 1 1 69 69 GLU CB C 13 26.626 . . 1 . . . . 69 E CB . 16989 1 796 . 1 1 69 69 GLU CG C 13 37.199 . . 1 . . . . 69 E CG . 16989 1 797 . 1 1 69 69 GLU N N 15 121.496 . . 1 . . . . 69 E N . 16989 1 798 . 1 1 70 70 SER H H 1 7.656 . . 1 . . . . 70 S HN . 16989 1 799 . 1 1 70 70 SER HA H 1 4.600 . . 1 . . . . 70 S HA . 16989 1 800 . 1 1 70 70 SER HB2 H 1 4.065 . . 2 . . . . 70 S HB2 . 16989 1 801 . 1 1 70 70 SER HB3 H 1 3.834 . . 2 . . . . 70 S HB3 . 16989 1 802 . 1 1 70 70 SER C C 13 171.842 . . 1 . . . . 70 S C . 16989 1 803 . 1 1 70 70 SER CA C 13 58.025 . . 1 . . . . 70 S CA . 16989 1 804 . 1 1 70 70 SER CB C 13 65.048 . . 1 . . . . 70 S CB . 16989 1 805 . 1 1 70 70 SER N N 15 115.058 . . 1 . . . . 70 S N . 16989 1 806 . 1 1 71 71 GLU H H 1 8.291 . . 1 . . . . 71 E HN . 16989 1 807 . 1 1 71 71 GLU HA H 1 4.965 . . 1 . . . . 71 E HA . 16989 1 808 . 1 1 71 71 GLU HB2 H 1 1.810 . . 2 . . . . 71 E QB . 16989 1 809 . 1 1 71 71 GLU HB3 H 1 1.810 . . 2 . . . . 71 E QB . 16989 1 810 . 1 1 71 71 GLU HG2 H 1 2.062 . . 2 . . . . 71 E HG2 . 16989 1 811 . 1 1 71 71 GLU HG3 H 1 1.888 . . 2 . . . . 71 E HG3 . 16989 1 812 . 1 1 71 71 GLU C C 13 176.961 . . 1 . . . . 71 E C . 16989 1 813 . 1 1 71 71 GLU CA C 13 55.293 . . 1 . . . . 71 E CA . 16989 1 814 . 1 1 71 71 GLU CB C 13 31.950 . . 1 . . . . 71 E CB . 16989 1 815 . 1 1 71 71 GLU CG C 13 36.744 . . 1 . . . . 71 E CG . 16989 1 816 . 1 1 71 71 GLU N N 15 117.692 . . 1 . . . . 71 E N . 16989 1 817 . 1 1 72 72 LEU H H 1 9.021 . . 1 . . . . 72 L HN . 16989 1 818 . 1 1 72 72 LEU HA H 1 4.575 . . 1 . . . . 72 L HA . 16989 1 819 . 1 1 72 72 LEU HB2 H 1 1.743 . . 2 . . . . 72 L HB2 . 16989 1 820 . 1 1 72 72 LEU HB3 H 1 1.357 . . 2 . . . . 72 L HB3 . 16989 1 821 . 1 1 72 72 LEU HD11 H 1 0.710 . . . . . . . 72 L QD1 . 16989 1 822 . 1 1 72 72 LEU HD12 H 1 0.710 . . . . . . . 72 L QD1 . 16989 1 823 . 1 1 72 72 LEU HD13 H 1 0.710 . . . . . . . 72 L QD1 . 16989 1 824 . 1 1 72 72 LEU HD21 H 1 0.832 . . . . . . . 72 L QD2 . 16989 1 825 . 1 1 72 72 LEU HD22 H 1 0.832 . . . . . . . 72 L QD2 . 16989 1 826 . 1 1 72 72 LEU HD23 H 1 0.832 . . . . . . . 72 L QD2 . 16989 1 827 . 1 1 72 72 LEU HG H 1 1.366 . . 1 . . . . 72 L HG . 16989 1 828 . 1 1 72 72 LEU C C 13 176.067 . . 1 . . . . 72 L C . 16989 1 829 . 1 1 72 72 LEU CA C 13 54.666 . . 1 . . . . 72 L CA . 16989 1 830 . 1 1 72 72 LEU CB C 13 44.919 . . 1 . . . . 72 L CB . 16989 1 831 . 1 1 72 72 LEU CD1 C 13 25.181 . . 2 . . . . 72 L CD1 . 16989 1 832 . 1 1 72 72 LEU CD2 C 13 23.589 . . 2 . . . . 72 L CD2 . 16989 1 833 . 1 1 72 72 LEU CG C 13 27.380 . . 1 . . . . 72 L CG . 16989 1 834 . 1 1 72 72 LEU N N 15 126.712 . . 1 . . . . 72 L N . 16989 1 835 . 1 1 73 73 PHE H H 1 9.797 . . 1 . . . . 73 F HN . 16989 1 836 . 1 1 73 73 PHE HA H 1 3.934 . . 1 . . . . 73 F HA . 16989 1 837 . 1 1 73 73 PHE HB2 H 1 3.484 . . 2 . . . . 73 F HB2 . 16989 1 838 . 1 1 73 73 PHE HB3 H 1 2.719 . . 2 . . . . 73 F HB3 . 16989 1 839 . 1 1 73 73 PHE HD1 H 1 7.107 . . 3 . . . . 73 F QD . 16989 1 840 . 1 1 73 73 PHE HD2 H 1 7.107 . . 3 . . . . 73 F QD . 16989 1 841 . 1 1 73 73 PHE HE1 H 1 7.280 . . 3 . . . . 73 F QE . 16989 1 842 . 1 1 73 73 PHE HE2 H 1 7.280 . . 3 . . . . 73 F QE . 16989 1 843 . 1 1 73 73 PHE C C 13 175.637 . . 1 . . . . 73 F C . 16989 1 844 . 1 1 73 73 PHE CA C 13 59.385 . . 1 . . . . 73 F CA . 16989 1 845 . 1 1 73 73 PHE CB C 13 37.165 . . 1 . . . . 73 F CB . 16989 1 846 . 1 1 73 73 PHE CD1 C 13 131.392 . . 3 . . . . 73 F CD1 . 16989 1 847 . 1 1 73 73 PHE N N 15 128.784 . . 1 . . . . 73 F N . 16989 1 848 . 1 1 74 74 GLY H H 1 8.669 . . 1 . . . . 74 G HN . 16989 1 849 . 1 1 74 74 GLY HA2 H 1 4.056 . . 2 . . . . 74 G HA2 . 16989 1 850 . 1 1 74 74 GLY HA3 H 1 3.642 . . 2 . . . . 74 G HA3 . 16989 1 851 . 1 1 74 74 GLY C C 13 173.780 . . 1 . . . . 74 G C . 16989 1 852 . 1 1 74 74 GLY CA C 13 45.814 . . 1 . . . . 74 G CA . 16989 1 853 . 1 1 74 74 GLY N N 15 103.926 . . 1 . . . . 74 G N . 16989 1 854 . 1 1 75 75 ARG H H 1 7.558 . . 1 . . . . 75 R HN . 16989 1 855 . 1 1 75 75 ARG HA H 1 4.785 . . 1 . . . . 75 R HA . 16989 1 856 . 1 1 75 75 ARG HB2 H 1 2.049 . . 2 . . . . 75 R HB2 . 16989 1 857 . 1 1 75 75 ARG HB3 H 1 1.830 . . 2 . . . . 75 R HB3 . 16989 1 858 . 1 1 75 75 ARG HD2 H 1 3.174 . . 2 . . . . 75 R QD . 16989 1 859 . 1 1 75 75 ARG HD3 H 1 3.174 . . 2 . . . . 75 R QD . 16989 1 860 . 1 1 75 75 ARG HG2 H 1 1.704 . . 2 . . . . 75 R QG . 16989 1 861 . 1 1 75 75 ARG HG3 H 1 1.704 . . 2 . . . . 75 R QG . 16989 1 862 . 1 1 75 75 ARG C C 13 174.686 . . 1 . . . . 75 R C . 16989 1 863 . 1 1 75 75 ARG CA C 13 53.665 . . 1 . . . . 75 R CA . 16989 1 864 . 1 1 75 75 ARG CB C 13 33.133 . . 1 . . . . 75 R CB . 16989 1 865 . 1 1 75 75 ARG CD C 13 43.033 . . 1 . . . . 75 R CD . 16989 1 866 . 1 1 75 75 ARG CG C 13 26.656 . . 1 . . . . 75 R CG . 16989 1 867 . 1 1 75 75 ARG N N 15 119.085 . . 1 . . . . 75 R N . 16989 1 868 . 1 1 76 76 THR H H 1 8.404 . . 1 . . . . 76 T HN . 16989 1 869 . 1 1 76 76 THR HA H 1 4.592 . . 1 . . . . 76 T HA . 16989 1 870 . 1 1 76 76 THR HB H 1 3.880 . . 1 . . . . 76 T HB . 16989 1 871 . 1 1 76 76 THR HG21 H 1 1.088 . . . . . . . 76 T QG2 . 16989 1 872 . 1 1 76 76 THR HG22 H 1 1.088 . . . . . . . 76 T QG2 . 16989 1 873 . 1 1 76 76 THR HG23 H 1 1.088 . . . . . . . 76 T QG2 . 16989 1 874 . 1 1 76 76 THR C C 13 175.060 . . 1 . . . . 76 T C . 16989 1 875 . 1 1 76 76 THR CA C 13 63.008 . . 1 . . . . 76 T CA . 16989 1 876 . 1 1 76 76 THR CB C 13 69.431 . . 1 . . . . 76 T CB . 16989 1 877 . 1 1 76 76 THR CG2 C 13 22.111 . . 1 . . . . 76 T CG2 . 16989 1 878 . 1 1 76 76 THR N N 15 119.131 . . 1 . . . . 76 T N . 16989 1 879 . 1 1 77 77 ILE H H 1 8.797 . . 1 . . . . 77 I HN . 16989 1 880 . 1 1 77 77 ILE HA H 1 5.125 . . 1 . . . . 77 I HA . 16989 1 881 . 1 1 77 77 ILE HB H 1 1.909 . . 1 . . . . 77 I HB . 16989 1 882 . 1 1 77 77 ILE HD11 H 1 0.647 . . . . . . . 77 I QD1 . 16989 1 883 . 1 1 77 77 ILE HD12 H 1 0.647 . . . . . . . 77 I QD1 . 16989 1 884 . 1 1 77 77 ILE HD13 H 1 0.647 . . . . . . . 77 I QD1 . 16989 1 885 . 1 1 77 77 ILE HG12 H 1 1.492 . . 2 . . . . 77 I HG12 . 16989 1 886 . 1 1 77 77 ILE HG13 H 1 1.204 . . 2 . . . . 77 I HG13 . 16989 1 887 . 1 1 77 77 ILE HG21 H 1 0.827 . . . . . . . 77 I QG2 . 16989 1 888 . 1 1 77 77 ILE HG22 H 1 0.827 . . . . . . . 77 I QG2 . 16989 1 889 . 1 1 77 77 ILE HG23 H 1 0.827 . . . . . . . 77 I QG2 . 16989 1 890 . 1 1 77 77 ILE C C 13 175.300 . . 1 . . . . 77 I C . 16989 1 891 . 1 1 77 77 ILE CA C 13 59.971 . . 1 . . . . 77 I CA . 16989 1 892 . 1 1 77 77 ILE CB C 13 40.580 . . 1 . . . . 77 I CB . 16989 1 893 . 1 1 77 77 ILE CD1 C 13 14.259 . . 1 . . . . 77 I CD1 . 16989 1 894 . 1 1 77 77 ILE CG1 C 13 24.814 . . 1 . . . . 77 I CG1 . 16989 1 895 . 1 1 77 77 ILE CG2 C 13 19.061 . . 1 . . . . 77 I CG2 . 16989 1 896 . 1 1 77 77 ILE N N 15 121.568 . . 1 . . . . 77 I N . 16989 1 897 . 1 1 78 78 ARG H H 1 8.176 . . 1 . . . . 78 R HN . 16989 1 898 . 1 1 78 78 ARG HA H 1 4.982 . . 1 . . . . 78 R HA . 16989 1 899 . 1 1 78 78 ARG HD2 H 1 3.253 . . 2 . . . . 78 R QD . 16989 1 900 . 1 1 78 78 ARG HD3 H 1 3.253 . . 2 . . . . 78 R QD . 16989 1 901 . 1 1 78 78 ARG C C 13 174.970 . . 1 . . . . 78 R C . 16989 1 902 . 1 1 78 78 ARG CA C 13 53.574 . . 1 . . . . 78 R CA . 16989 1 903 . 1 1 78 78 ARG CB C 13 32.372 . . 1 . . . . 78 R CB . 16989 1 904 . 1 1 78 78 ARG CD C 13 43.068 . . 1 . . . . 78 R CD . 16989 1 905 . 1 1 78 78 ARG CG C 13 27.188 . . 1 . . . . 78 R CG . 16989 1 906 . 1 1 78 78 ARG N N 15 121.628 . . 1 . . . . 78 R N . 16989 1 907 . 1 1 79 79 VAL H H 1 8.963 . . 1 . . . . 79 V HN . 16989 1 908 . 1 1 79 79 VAL HA H 1 5.397 . . 1 . . . . 79 V HA . 16989 1 909 . 1 1 79 79 VAL HB H 1 1.794 . . 1 . . . . 79 V HB . 16989 1 910 . 1 1 79 79 VAL HG11 H 1 0.987 . . . . . . . 79 V QG1 . 16989 1 911 . 1 1 79 79 VAL HG12 H 1 0.987 . . . . . . . 79 V QG1 . 16989 1 912 . 1 1 79 79 VAL HG13 H 1 0.987 . . . . . . . 79 V QG1 . 16989 1 913 . 1 1 79 79 VAL HG21 H 1 1.012 . . . . . . . 79 V QG2 . 16989 1 914 . 1 1 79 79 VAL HG22 H 1 1.012 . . . . . . . 79 V QG2 . 16989 1 915 . 1 1 79 79 VAL HG23 H 1 1.012 . . . . . . . 79 V QG2 . 16989 1 916 . 1 1 79 79 VAL C C 13 174.121 . . 1 . . . . 79 V C . 16989 1 917 . 1 1 79 79 VAL CA C 13 60.390 . . 1 . . . . 79 V CA . 16989 1 918 . 1 1 79 79 VAL CB C 13 35.241 . . 1 . . . . 79 V CB . 16989 1 919 . 1 1 79 79 VAL CG1 C 13 24.473 . . 2 . . . . 79 V CG1 . 16989 1 920 . 1 1 79 79 VAL CG2 C 13 22.458 . . 2 . . . . 79 V CG2 . 16989 1 921 . 1 1 79 79 VAL N N 15 122.947 . . 1 . . . . 79 V N . 16989 1 922 . 1 1 80 80 ASN H H 1 8.922 . . 1 . . . . 80 N HN . 16989 1 923 . 1 1 80 80 ASN HA H 1 4.815 . . 1 . . . . 80 N HA . 16989 1 924 . 1 1 80 80 ASN HB2 H 1 2.869 . . 2 . . . . 80 N HB2 . 16989 1 925 . 1 1 80 80 ASN HB3 H 1 2.745 . . 2 . . . . 80 N HB3 . 16989 1 926 . 1 1 80 80 ASN C C 13 173.446 . . 1 . . . . 80 N C . 16989 1 927 . 1 1 80 80 ASN CA C 13 51.918 . . 1 . . . . 80 N CA . 16989 1 928 . 1 1 80 80 ASN CB C 13 42.397 . . 1 . . . . 80 N CB . 16989 1 929 . 1 1 80 80 ASN N N 15 120.579 . . 1 . . . . 80 N N . 16989 1 930 . 1 1 81 81 LEU H H 1 8.890 . . 1 . . . . 81 L HN . 16989 1 931 . 1 1 81 81 LEU HA H 1 4.459 . . 1 . . . . 81 L HA . 16989 1 932 . 1 1 81 81 LEU C C 13 177.394 . . 1 . . . . 81 L C . 16989 1 933 . 1 1 81 81 LEU CA C 13 56.197 . . 1 . . . . 81 L CA . 16989 1 934 . 1 1 81 81 LEU CB C 13 42.338 . . 1 . . . . 81 L CB . 16989 1 935 . 1 1 81 81 LEU N N 15 121.725 . . 1 . . . . 81 L N . 16989 1 936 . 1 1 82 82 ALA H H 1 8.949 . . 1 . . . . 82 A HN . 16989 1 937 . 1 1 82 82 ALA HA H 1 4.350 . . 1 . . . . 82 A HA . 16989 1 938 . 1 1 82 82 ALA HB1 H 1 1.457 . . . . . . . 82 A QB . 16989 1 939 . 1 1 82 82 ALA HB2 H 1 1.457 . . . . . . . 82 A QB . 16989 1 940 . 1 1 82 82 ALA HB3 H 1 1.457 . . . . . . . 82 A QB . 16989 1 941 . 1 1 82 82 ALA CA C 13 52.932 . . 1 . . . . 82 A CA . 16989 1 942 . 1 1 82 82 ALA CB C 13 19.741 . . 1 . . . . 82 A CB . 16989 1 943 . 1 1 82 82 ALA N N 15 127.802 . . 1 . . . . 82 A N . 16989 1 944 . 1 1 83 83 LYS H H 1 7.944 . . 1 . . . . 83 K HN . 16989 1 945 . 1 1 83 83 LYS N N 15 124.461 . . 1 . . . . 83 K N . 16989 1 stop_ save_