data_17483 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17483 _Entry.Title ; Structural characterization of small heat shock protein (Hsp12) in aqueous solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-22 _Entry.Accession_date 2011-02-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kiran Singarapu . K. . 17483 2 Marco Tonelli . . . 17483 3 William Westler . M. . 17483 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17483 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 17483 '15N chemical shifts' 99 17483 '1H chemical shifts' 387 17483 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 2 . . 2012-03-09 2011-02-22 update BMRB 'update entry citation' 17483 1 . . 2011-10-26 2011-02-22 original author 'original release' 17483 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17482 'Hsp12 (in SDS micelles)' 17483 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17483 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21998307 _Citation.Full_citation . _Citation.Title 'Structural characterization of Hsp12, the heat shock protein from Saccharomyces cerevisiae, in aqueous solution where it is intrinsically disordered and in detergent micelles where it is locally -helical.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 50 _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 43447 _Citation.Page_last 43453 _Citation.Year 2011 _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 Kiran Singarapu . K. . 17483 1 2 Marco Tonelli . . . 17483 1 3 Darius Chow . C. . 17483 1 4 Ronnie Frederick . O. . 17483 1 5 William Westler . M. . 17483 1 6 John Markley . L. . 17483 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17483 _Assembly.ID 1 _Assembly.Name hsp12 _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 hsp12 1 $hsp12 A . yes native no no . . . 17483 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hsp12 _Entity.Sf_category entity _Entity.Sf_framecode hsp12 _Entity.Entry_ID 17483 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hsp12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDAGRKGFGEKASEALKPD SQKSYAEQGKEYITDKADKV AGKVQPEDNKGVFQGVHDSA EKGKDNAEGQGESLADQARD YMGAAKSKLNDAVEYVSGRV HGEEDPTKK ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 17482 . entity . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 2 no BMRB 17948 . Hsp12 . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 3 no BMRB 18523 . HSP12_SDS . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 4 no PDB 2L9Q . "Structural Characterization Of Small Heat Shock Protein (Hsp12)" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 5 no PDB 2LJL . "Nmr Structure Of Hsp12 In The Presence Of Dpc" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 6 no PDB 4AXP . "Nmr Structure Of Hsp12, A Protein Induced By And Required For Dietary Restriction-Induced Lifespan Extension In Yeast" . . . . . 99.08 109 100.00 100.00 1.22e-68 . . . . 17483 1 7 no DBJ BAA09224 . "12KD heat shock protein [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 8 no DBJ BAA14033 . "Sc-Hsp12p [Saccharomyces pastorianus]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 9 no DBJ GAA23069 . "K7_Hsp12p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 10 no EMBL CAA39306 . "hsp12 [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 11 no EMBL CAA86349 . "hsp12, glp1 [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 12 no EMBL CAY79436 . "Hsp12p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 109 99.08 99.08 1.52e-68 . . . . 17483 1 13 no GB AAA34647 . "15 kD glucose and lipid regulated protein [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 14 no GB AAL06077 . "12 kDa heat shock protein [Saccharomyces cerevisiae]" . . . . . 100.00 109 99.08 99.08 1.52e-68 . . . . 17483 1 15 no GB AAS56790 . "YFL014W [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 16 no GB AHY75775 . "Hsp12p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 109 98.17 98.17 2.02e-67 . . . . 17483 1 17 no GB AJP38487 . "Hsp12p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 109 99.08 99.08 1.52e-68 . . . . 17483 1 18 no REF NP_116640 . "lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 19 no SP P22943 . "RecName: Full=12 kDa heat shock protein; AltName: Full=Glucose and lipid-regulated protein" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 1 20 no TPG DAA12425 . "TPA: lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17483 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 . MET . 17483 1 2 . SER . 17483 1 3 . ASP . 17483 1 4 . ALA . 17483 1 5 . GLY . 17483 1 6 . ARG . 17483 1 7 . LYS . 17483 1 8 . GLY . 17483 1 9 . PHE . 17483 1 10 . GLY . 17483 1 11 . GLU . 17483 1 12 . LYS . 17483 1 13 . ALA . 17483 1 14 . SER . 17483 1 15 . GLU . 17483 1 16 . ALA . 17483 1 17 . LEU . 17483 1 18 . LYS . 17483 1 19 . PRO . 17483 1 20 . ASP . 17483 1 21 . SER . 17483 1 22 . GLN . 17483 1 23 . LYS . 17483 1 24 . SER . 17483 1 25 . TYR . 17483 1 26 . ALA . 17483 1 27 . GLU . 17483 1 28 . GLN . 17483 1 29 . GLY . 17483 1 30 . LYS . 17483 1 31 . GLU . 17483 1 32 . TYR . 17483 1 33 . ILE . 17483 1 34 . THR . 17483 1 35 . ASP . 17483 1 36 . LYS . 17483 1 37 . ALA . 17483 1 38 . ASP . 17483 1 39 . LYS . 17483 1 40 . VAL . 17483 1 41 . ALA . 17483 1 42 . GLY . 17483 1 43 . LYS . 17483 1 44 . VAL . 17483 1 45 . GLN . 17483 1 46 . PRO . 17483 1 47 . GLU . 17483 1 48 . ASP . 17483 1 49 . ASN . 17483 1 50 . LYS . 17483 1 51 . GLY . 17483 1 52 . VAL . 17483 1 53 . PHE . 17483 1 54 . GLN . 17483 1 55 . GLY . 17483 1 56 . VAL . 17483 1 57 . HIS . 17483 1 58 . ASP . 17483 1 59 . SER . 17483 1 60 . ALA . 17483 1 61 . GLU . 17483 1 62 . LYS . 17483 1 63 . GLY . 17483 1 64 . LYS . 17483 1 65 . ASP . 17483 1 66 . ASN . 17483 1 67 . ALA . 17483 1 68 . GLU . 17483 1 69 . GLY . 17483 1 70 . GLN . 17483 1 71 . GLY . 17483 1 72 . GLU . 17483 1 73 . SER . 17483 1 74 . LEU . 17483 1 75 . ALA . 17483 1 76 . ASP . 17483 1 77 . GLN . 17483 1 78 . ALA . 17483 1 79 . ARG . 17483 1 80 . ASP . 17483 1 81 . TYR . 17483 1 82 . MET . 17483 1 83 . GLY . 17483 1 84 . ALA . 17483 1 85 . ALA . 17483 1 86 . LYS . 17483 1 87 . SER . 17483 1 88 . LYS . 17483 1 89 . LEU . 17483 1 90 . ASN . 17483 1 91 . ASP . 17483 1 92 . ALA . 17483 1 93 . VAL . 17483 1 94 . GLU . 17483 1 95 . TYR . 17483 1 96 . VAL . 17483 1 97 . SER . 17483 1 98 . GLY . 17483 1 99 . ARG . 17483 1 100 . VAL . 17483 1 101 . HIS . 17483 1 102 . GLY . 17483 1 103 . GLU . 17483 1 104 . GLU . 17483 1 105 . ASP . 17483 1 106 . PRO . 17483 1 107 . THR . 17483 1 108 . LYS . 17483 1 109 . LYS . 17483 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 . MET 1 1 17483 1 . SER 2 2 17483 1 . ASP 3 3 17483 1 . ALA 4 4 17483 1 . GLY 5 5 17483 1 . ARG 6 6 17483 1 . LYS 7 7 17483 1 . GLY 8 8 17483 1 . PHE 9 9 17483 1 . GLY 10 10 17483 1 . GLU 11 11 17483 1 . LYS 12 12 17483 1 . ALA 13 13 17483 1 . SER 14 14 17483 1 . GLU 15 15 17483 1 . ALA 16 16 17483 1 . LEU 17 17 17483 1 . LYS 18 18 17483 1 . PRO 19 19 17483 1 . ASP 20 20 17483 1 . SER 21 21 17483 1 . GLN 22 22 17483 1 . LYS 23 23 17483 1 . SER 24 24 17483 1 . TYR 25 25 17483 1 . ALA 26 26 17483 1 . GLU 27 27 17483 1 . GLN 28 28 17483 1 . GLY 29 29 17483 1 . LYS 30 30 17483 1 . GLU 31 31 17483 1 . TYR 32 32 17483 1 . ILE 33 33 17483 1 . THR 34 34 17483 1 . ASP 35 35 17483 1 . LYS 36 36 17483 1 . ALA 37 37 17483 1 . ASP 38 38 17483 1 . LYS 39 39 17483 1 . VAL 40 40 17483 1 . ALA 41 41 17483 1 . GLY 42 42 17483 1 . LYS 43 43 17483 1 . VAL 44 44 17483 1 . GLN 45 45 17483 1 . PRO 46 46 17483 1 . GLU 47 47 17483 1 . ASP 48 48 17483 1 . ASN 49 49 17483 1 . LYS 50 50 17483 1 . GLY 51 51 17483 1 . VAL 52 52 17483 1 . PHE 53 53 17483 1 . GLN 54 54 17483 1 . GLY 55 55 17483 1 . VAL 56 56 17483 1 . HIS 57 57 17483 1 . ASP 58 58 17483 1 . SER 59 59 17483 1 . ALA 60 60 17483 1 . GLU 61 61 17483 1 . LYS 62 62 17483 1 . GLY 63 63 17483 1 . LYS 64 64 17483 1 . ASP 65 65 17483 1 . ASN 66 66 17483 1 . ALA 67 67 17483 1 . GLU 68 68 17483 1 . GLY 69 69 17483 1 . GLN 70 70 17483 1 . GLY 71 71 17483 1 . GLU 72 72 17483 1 . SER 73 73 17483 1 . LEU 74 74 17483 1 . ALA 75 75 17483 1 . ASP 76 76 17483 1 . GLN 77 77 17483 1 . ALA 78 78 17483 1 . ARG 79 79 17483 1 . ASP 80 80 17483 1 . TYR 81 81 17483 1 . MET 82 82 17483 1 . GLY 83 83 17483 1 . ALA 84 84 17483 1 . ALA 85 85 17483 1 . LYS 86 86 17483 1 . SER 87 87 17483 1 . LYS 88 88 17483 1 . LEU 89 89 17483 1 . ASN 90 90 17483 1 . ASP 91 91 17483 1 . ALA 92 92 17483 1 . VAL 93 93 17483 1 . GLU 94 94 17483 1 . TYR 95 95 17483 1 . VAL 96 96 17483 1 . SER 97 97 17483 1 . GLY 98 98 17483 1 . ARG 99 99 17483 1 . VAL 100 100 17483 1 . HIS 101 101 17483 1 . GLY 102 102 17483 1 . GLU 103 103 17483 1 . GLU 104 104 17483 1 . ASP 105 105 17483 1 . PRO 106 106 17483 1 . THR 107 107 17483 1 . LYS 108 108 17483 1 . LYS 109 109 17483 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 17483 _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 $hsp12 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17483 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 17483 _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 $hsp12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pvp68k . . . . . . 17483 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17483 _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 hsp12 '[U-100% 15N]' . . 1 $hsp12 . . 0.2 . . mM . . . . 17483 1 2 hsp12 '[U-100% 13C; U-100% 15N]' . . 1 $hsp12 . . 1.0 . . mM . . . . 17483 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 17483 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10mM MOPS, 100mM NaCl, 5mM DTT, 3mM NaN3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17483 1 pH 7.0 . pH 17483 1 pressure 1 . atm 17483 1 temperature 298 . K 17483 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17483 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17483 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17483 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17483 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17483 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17483 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17483 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17483 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17483 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17483 _Software.ID 4 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17483 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17483 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17483 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17483 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17483 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17483 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17483 _NMR_spectrometer.ID 2 _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 17483 _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 . 900 . . . 17483 1 2 spectrometer_2 Varian INOVA . 600 . . . 17483 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 17483 _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 . . . . . . . . . . . . . . . . . . . . . 17483 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17483 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17483 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17483 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17483 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 17483 _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 . indirect 0.251449530 . . . . . . . . . 17483 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17483 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17483 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 17483 _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' . . . 17483 1 2 '3D CBCA(CO)NH' . . . 17483 1 3 '3D HNCACB' . . . 17483 1 4 '3D HBHA(CO)NH' . . . 17483 1 5 '3D HNCO' . . . 17483 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 ASP HA H 1 4.575 0.000 . 1 . . . . 3 ASP HA . 17483 1 2 . 1 1 3 3 ASP HB2 H 1 2.654 0.000 . 2 . . . . 3 ASP HB2 . 17483 1 3 . 1 1 3 3 ASP HB3 H 1 2.615 0.000 . 2 . . . . 3 ASP HB3 . 17483 1 4 . 1 1 3 3 ASP C C 13 176.152 0.000 . 1 . . . . 3 ASP C . 17483 1 5 . 1 1 3 3 ASP CA C 13 54.316 0.000 . 1 . . . . 3 ASP CA . 17483 1 6 . 1 1 3 3 ASP CB C 13 41.200 0.000 . 1 . . . . 3 ASP CB . 17483 1 7 . 1 1 4 4 ALA H H 1 8.258 0.000 . 1 . . . . 4 ALA H . 17483 1 8 . 1 1 4 4 ALA HA H 1 4.206 0.000 . 1 . . . . 4 ALA HA . 17483 1 9 . 1 1 4 4 ALA HB1 H 1 1.367 0.000 . 1 . . . . 4 ALA QB . 17483 1 10 . 1 1 4 4 ALA HB2 H 1 1.367 0.000 . 1 . . . . 4 ALA QB . 17483 1 11 . 1 1 4 4 ALA HB3 H 1 1.367 0.000 . 1 . . . . 4 ALA QB . 17483 1 12 . 1 1 4 4 ALA C C 13 178.419 0.000 . 1 . . . . 4 ALA C . 17483 1 13 . 1 1 4 4 ALA CA C 13 53.000 0.000 . 1 . . . . 4 ALA CA . 17483 1 14 . 1 1 4 4 ALA CB C 13 18.886 0.000 . 1 . . . . 4 ALA CB . 17483 1 15 . 1 1 4 4 ALA N N 15 124.554 0.000 . 1 . . . . 4 ALA N . 17483 1 16 . 1 1 5 5 GLY H H 1 8.389 0.000 . 1 . . . . 5 GLY H . 17483 1 17 . 1 1 5 5 GLY HA2 H 1 3.885 0.000 . 2 . . . . 5 GLY HA2 . 17483 1 18 . 1 1 5 5 GLY HA3 H 1 3.904 0.000 . 2 . . . . 5 GLY HA3 . 17483 1 19 . 1 1 5 5 GLY C C 13 174.308 0.000 . 1 . . . . 5 GLY C . 17483 1 20 . 1 1 5 5 GLY CA C 13 45.300 0.000 . 1 . . . . 5 GLY CA . 17483 1 21 . 1 1 5 5 GLY N N 15 107.649 0.000 . 1 . . . . 5 GLY N . 17483 1 22 . 1 1 6 6 ARG H H 1 8.012 0.000 . 1 . . . . 6 ARG H . 17483 1 23 . 1 1 6 6 ARG HA H 1 4.294 0.000 . 1 . . . . 6 ARG HA . 17483 1 24 . 1 1 6 6 ARG HB2 H 1 1.834 0.000 . 2 . . . . 6 ARG HB2 . 17483 1 25 . 1 1 6 6 ARG HB3 H 1 1.739 0.000 . 2 . . . . 6 ARG HB3 . 17483 1 26 . 1 1 6 6 ARG C C 13 176.376 0.000 . 1 . . . . 6 ARG C . 17483 1 27 . 1 1 6 6 ARG CA C 13 55.900 0.000 . 1 . . . . 6 ARG CA . 17483 1 28 . 1 1 6 6 ARG CB C 13 30.500 0.000 . 1 . . . . 6 ARG CB . 17483 1 29 . 1 1 6 6 ARG N N 15 120.496 0.000 . 1 . . . . 6 ARG N . 17483 1 30 . 1 1 7 7 LYS H H 1 8.351 0.000 . 1 . . . . 7 LYS H . 17483 1 31 . 1 1 7 7 LYS HA H 1 4.272 0.000 . 1 . . . . 7 LYS HA . 17483 1 32 . 1 1 7 7 LYS HB2 H 1 1.833 0.000 . 2 . . . . 7 LYS HB2 . 17483 1 33 . 1 1 7 7 LYS HB3 H 1 1.754 0.000 . 2 . . . . 7 LYS HB3 . 17483 1 34 . 1 1 7 7 LYS C C 13 177.169 0.000 . 1 . . . . 7 LYS C . 17483 1 35 . 1 1 7 7 LYS CA C 13 56.384 0.000 . 1 . . . . 7 LYS CA . 17483 1 36 . 1 1 7 7 LYS CB C 13 32.800 0.000 . 1 . . . . 7 LYS CB . 17483 1 37 . 1 1 7 7 LYS N N 15 122.800 0.000 . 1 . . . . 7 LYS N . 17483 1 38 . 1 1 8 8 GLY H H 1 8.433 0.000 . 1 . . . . 8 GLY H . 17483 1 39 . 1 1 8 8 GLY HA2 H 1 3.855 0.000 . 2 . . . . 8 GLY HA2 . 17483 1 40 . 1 1 8 8 GLY HA3 H 1 3.866 0.000 . 2 . . . . 8 GLY HA3 . 17483 1 41 . 1 1 8 8 GLY C C 13 173.885 0.000 . 1 . . . . 8 GLY C . 17483 1 42 . 1 1 8 8 GLY CA C 13 45.073 0.000 . 1 . . . . 8 GLY CA . 17483 1 43 . 1 1 8 8 GLY N N 15 110.073 0.000 . 1 . . . . 8 GLY N . 17483 1 44 . 1 1 9 9 PHE H H 1 8.155 0.000 . 1 . . . . 9 PHE H . 17483 1 45 . 1 1 9 9 PHE HA H 1 4.579 0.000 . 1 . . . . 9 PHE HA . 17483 1 46 . 1 1 9 9 PHE HB2 H 1 3.139 0.000 . 2 . . . . 9 PHE HB2 . 17483 1 47 . 1 1 9 9 PHE HB3 H 1 2.995 0.000 . 2 . . . . 9 PHE HB3 . 17483 1 48 . 1 1 9 9 PHE C C 13 176.376 0.000 . 1 . . . . 9 PHE C . 17483 1 49 . 1 1 9 9 PHE CA C 13 57.900 0.000 . 1 . . . . 9 PHE CA . 17483 1 50 . 1 1 9 9 PHE CB C 13 39.500 0.000 . 1 . . . . 9 PHE CB . 17483 1 51 . 1 1 9 9 PHE N N 15 120.120 0.000 . 1 . . . . 9 PHE N . 17483 1 52 . 1 1 10 10 GLY H H 1 8.415 0.000 . 1 . . . . 10 GLY H . 17483 1 53 . 1 1 10 10 GLY HA2 H 1 3.826 0.000 . 2 . . . . 10 GLY HA2 . 17483 1 54 . 1 1 10 10 GLY HA3 H 1 3.902 0.000 . 2 . . . . 10 GLY HA3 . 17483 1 55 . 1 1 10 10 GLY C C 13 174.101 0.000 . 1 . . . . 10 GLY C . 17483 1 56 . 1 1 10 10 GLY CA C 13 45.266 0.000 . 1 . . . . 10 GLY CA . 17483 1 57 . 1 1 10 10 GLY N N 15 110.902 0.000 . 1 . . . . 10 GLY N . 17483 1 58 . 1 1 11 11 GLU H H 1 8.214 0.000 . 1 . . . . 11 GLU H . 17483 1 59 . 1 1 11 11 GLU HA H 1 4.245 0.000 . 1 . . . . 11 GLU HA . 17483 1 60 . 1 1 11 11 GLU HB2 H 1 2.018 0.000 . 2 . . . . 11 GLU HB2 . 17483 1 61 . 1 1 11 11 GLU HB3 H 1 1.908 0.000 . 2 . . . . 11 GLU HB3 . 17483 1 62 . 1 1 11 11 GLU C C 13 176.626 0.000 . 1 . . . . 11 GLU C . 17483 1 63 . 1 1 11 11 GLU CA C 13 56.500 0.000 . 1 . . . . 11 GLU CA . 17483 1 64 . 1 1 11 11 GLU CB C 13 30.200 0.000 . 1 . . . . 11 GLU CB . 17483 1 65 . 1 1 11 11 GLU N N 15 120.814 0.000 . 1 . . . . 11 GLU N . 17483 1 66 . 1 1 12 12 LYS H H 1 8.377 0.000 . 1 . . . . 12 LYS H . 17483 1 67 . 1 1 12 12 LYS HA H 1 4.275 0.000 . 1 . . . . 12 LYS HA . 17483 1 68 . 1 1 12 12 LYS HB2 H 1 1.814 0.000 . 2 . . . . 12 LYS HB2 . 17483 1 69 . 1 1 12 12 LYS HB3 H 1 1.735 0.000 . 2 . . . . 12 LYS HB3 . 17483 1 70 . 1 1 12 12 LYS C C 13 176.497 0.000 . 1 . . . . 12 LYS C . 17483 1 71 . 1 1 12 12 LYS CA C 13 56.100 0.000 . 1 . . . . 12 LYS CA . 17483 1 72 . 1 1 12 12 LYS CB C 13 32.800 0.000 . 1 . . . . 12 LYS CB . 17483 1 73 . 1 1 12 12 LYS N N 15 122.325 0.000 . 1 . . . . 12 LYS N . 17483 1 74 . 1 1 13 13 ALA H H 1 8.346 0.000 . 1 . . . . 13 ALA H . 17483 1 75 . 1 1 13 13 ALA HA H 1 4.266 0.000 . 1 . . . . 13 ALA HA . 17483 1 76 . 1 1 13 13 ALA HB1 H 1 1.378 0.000 . 1 . . . . 13 ALA QB . 17483 1 77 . 1 1 13 13 ALA HB2 H 1 1.378 0.000 . 1 . . . . 13 ALA QB . 17483 1 78 . 1 1 13 13 ALA HB3 H 1 1.378 0.000 . 1 . . . . 13 ALA QB . 17483 1 79 . 1 1 13 13 ALA C C 13 177.971 0.000 . 1 . . . . 13 ALA C . 17483 1 80 . 1 1 13 13 ALA CA C 13 52.700 0.000 . 1 . . . . 13 ALA CA . 17483 1 81 . 1 1 13 13 ALA CB C 13 19.000 0.000 . 1 . . . . 13 ALA CB . 17483 1 82 . 1 1 13 13 ALA N N 15 125.613 0.000 . 1 . . . . 13 ALA N . 17483 1 83 . 1 1 14 14 SER H H 1 8.251 0.000 . 1 . . . . 14 SER H . 17483 1 84 . 1 1 14 14 SER HA H 1 4.354 0.000 . 1 . . . . 14 SER HA . 17483 1 85 . 1 1 14 14 SER HB2 H 1 3.882 0.000 . 2 . . . . 14 SER HB2 . 17483 1 86 . 1 1 14 14 SER HB3 H 1 3.825 0.000 . 2 . . . . 14 SER HB3 . 17483 1 87 . 1 1 14 14 SER C C 13 174.834 0.000 . 1 . . . . 14 SER C . 17483 1 88 . 1 1 14 14 SER CA C 13 58.500 0.000 . 1 . . . . 14 SER CA . 17483 1 89 . 1 1 14 14 SER CB C 13 63.500 0.000 . 1 . . . . 14 SER CB . 17483 1 90 . 1 1 14 14 SER N N 15 114.878 0.000 . 1 . . . . 14 SER N . 17483 1 91 . 1 1 15 15 GLU H H 1 8.332 0.000 . 1 . . . . 15 GLU H . 17483 1 92 . 1 1 15 15 GLU HA H 1 4.244 0.000 . 1 . . . . 15 GLU HA . 17483 1 93 . 1 1 15 15 GLU HB2 H 1 2.044 0.000 . 2 . . . . 15 GLU HB2 . 17483 1 94 . 1 1 15 15 GLU HB3 H 1 1.912 0.000 . 2 . . . . 15 GLU HB3 . 17483 1 95 . 1 1 15 15 GLU C C 13 176.144 0.000 . 1 . . . . 15 GLU C . 17483 1 96 . 1 1 15 15 GLU CA C 13 56.500 0.000 . 1 . . . . 15 GLU CA . 17483 1 97 . 1 1 15 15 GLU CB C 13 30.235 0.000 . 1 . . . . 15 GLU CB . 17483 1 98 . 1 1 15 15 GLU N N 15 122.935 0.000 . 1 . . . . 15 GLU N . 17483 1 99 . 1 1 16 16 ALA H H 1 8.145 0.000 . 1 . . . . 16 ALA H . 17483 1 100 . 1 1 16 16 ALA HA H 1 4.249 0.000 . 1 . . . . 16 ALA HA . 17483 1 101 . 1 1 16 16 ALA HB1 H 1 1.345 0.000 . 1 . . . . 16 ALA QB . 17483 1 102 . 1 1 16 16 ALA HB2 H 1 1.345 0.000 . 1 . . . . 16 ALA QB . 17483 1 103 . 1 1 16 16 ALA HB3 H 1 1.345 0.000 . 1 . . . . 16 ALA QB . 17483 1 104 . 1 1 16 16 ALA C C 13 177.471 0.000 . 1 . . . . 16 ALA C . 17483 1 105 . 1 1 16 16 ALA CA C 13 52.376 0.000 . 1 . . . . 16 ALA CA . 17483 1 106 . 1 1 16 16 ALA CB C 13 19.000 0.000 . 1 . . . . 16 ALA CB . 17483 1 107 . 1 1 16 16 ALA N N 15 124.413 0.000 . 1 . . . . 16 ALA N . 17483 1 108 . 1 1 17 17 LEU H H 1 8.057 0.000 . 1 . . . . 17 LEU H . 17483 1 109 . 1 1 17 17 LEU HA H 1 4.288 0.000 . 1 . . . . 17 LEU HA . 17483 1 110 . 1 1 17 17 LEU HB2 H 1 1.605 0.000 . 2 . . . . 17 LEU HB2 . 17483 1 111 . 1 1 17 17 LEU HB3 H 1 1.525 0.000 . 2 . . . . 17 LEU HB3 . 17483 1 112 . 1 1 17 17 LEU C C 13 177.049 0.000 . 1 . . . . 17 LEU C . 17483 1 113 . 1 1 17 17 LEU CA C 13 54.853 0.000 . 1 . . . . 17 LEU CA . 17483 1 114 . 1 1 17 17 LEU CB C 13 42.164 0.000 . 1 . . . . 17 LEU CB . 17483 1 115 . 1 1 17 17 LEU N N 15 121.167 0.000 . 1 . . . . 17 LEU N . 17483 1 116 . 1 1 18 18 LYS H H 1 8.244 0.000 . 1 . . . . 18 LYS H . 17483 1 117 . 1 1 18 18 LYS CA C 13 53.972 0.000 . 1 . . . . 18 LYS CA . 17483 1 118 . 1 1 18 18 LYS CB C 13 32.300 0.000 . 1 . . . . 18 LYS CB . 17483 1 119 . 1 1 18 18 LYS N N 15 123.496 0.000 . 1 . . . . 18 LYS N . 17483 1 120 . 1 1 19 19 PRO HA H 1 4.386 0.000 . 1 . . . . 19 PRO HA . 17483 1 121 . 1 1 19 19 PRO HB2 H 1 2.265 0.000 . 2 . . . . 19 PRO HB2 . 17483 1 122 . 1 1 19 19 PRO HB3 H 1 1.901 0.000 . 2 . . . . 19 PRO HB3 . 17483 1 123 . 1 1 19 19 PRO C C 13 176.842 0.000 . 1 . . . . 19 PRO C . 17483 1 124 . 1 1 19 19 PRO CA C 13 63.300 0.000 . 1 . . . . 19 PRO CA . 17483 1 125 . 1 1 19 19 PRO CB C 13 31.983 0.000 . 1 . . . . 19 PRO CB . 17483 1 126 . 1 1 20 20 ASP H H 1 8.454 0.000 . 1 . . . . 20 ASP H . 17483 1 127 . 1 1 20 20 ASP HA H 1 4.541 0.000 . 1 . . . . 20 ASP HA . 17483 1 128 . 1 1 20 20 ASP HB2 H 1 2.675 0.000 . 2 . . . . 20 ASP HB2 . 17483 1 129 . 1 1 20 20 ASP HB3 H 1 2.658 0.000 . 2 . . . . 20 ASP HB3 . 17483 1 130 . 1 1 20 20 ASP C C 13 176.652 0.000 . 1 . . . . 20 ASP C . 17483 1 131 . 1 1 20 20 ASP CA C 13 54.400 0.000 . 1 . . . . 20 ASP CA . 17483 1 132 . 1 1 20 20 ASP CB C 13 40.881 0.000 . 1 . . . . 20 ASP CB . 17483 1 133 . 1 1 20 20 ASP N N 15 120.229 0.000 . 1 . . . . 20 ASP N . 17483 1 134 . 1 1 21 21 SER H H 1 8.192 0.000 . 1 . . . . 21 SER H . 17483 1 135 . 1 1 21 21 SER HA H 1 4.356 0.000 . 1 . . . . 21 SER HA . 17483 1 136 . 1 1 21 21 SER HB2 H 1 3.900 0.000 . 2 . . . . 21 SER HB2 . 17483 1 137 . 1 1 21 21 SER HB3 H 1 3.863 0.000 . 2 . . . . 21 SER HB3 . 17483 1 138 . 1 1 21 21 SER C C 13 174.747 0.000 . 1 . . . . 21 SER C . 17483 1 139 . 1 1 21 21 SER CA C 13 58.812 0.000 . 1 . . . . 21 SER CA . 17483 1 140 . 1 1 21 21 SER CB C 13 63.500 0.000 . 1 . . . . 21 SER CB . 17483 1 141 . 1 1 21 21 SER N N 15 116.055 0.000 . 1 . . . . 21 SER N . 17483 1 142 . 1 1 22 22 GLN H H 1 8.323 0.000 . 1 . . . . 22 GLN H . 17483 1 143 . 1 1 22 22 GLN HA H 1 4.286 0.000 . 1 . . . . 22 GLN HA . 17483 1 144 . 1 1 22 22 GLN HB2 H 1 2.118 0.000 . 2 . . . . 22 GLN HB2 . 17483 1 145 . 1 1 22 22 GLN HB3 H 1 1.959 0.000 . 2 . . . . 22 GLN HB3 . 17483 1 146 . 1 1 22 22 GLN C C 13 176.058 0.000 . 1 . . . . 22 GLN C . 17483 1 147 . 1 1 22 22 GLN CA C 13 55.955 0.000 . 1 . . . . 22 GLN CA . 17483 1 148 . 1 1 22 22 GLN CB C 13 29.200 0.000 . 1 . . . . 22 GLN CB . 17483 1 149 . 1 1 22 22 GLN N N 15 121.604 0.000 . 1 . . . . 22 GLN N . 17483 1 150 . 1 1 23 23 LYS H H 1 8.142 0.000 . 1 . . . . 23 LYS H . 17483 1 151 . 1 1 23 23 LYS HA H 1 4.254 0.000 . 1 . . . . 23 LYS HA . 17483 1 152 . 1 1 23 23 LYS HB2 H 1 1.703 0.000 . 2 . . . . 23 LYS HB2 . 17483 1 153 . 1 1 23 23 LYS HB3 H 1 1.696 0.000 . 2 . . . . 23 LYS HB3 . 17483 1 154 . 1 1 23 23 LYS C C 13 176.454 0.000 . 1 . . . . 23 LYS C . 17483 1 155 . 1 1 23 23 LYS CA C 13 56.375 0.000 . 1 . . . . 23 LYS CA . 17483 1 156 . 1 1 23 23 LYS CB C 13 33.000 0.000 . 1 . . . . 23 LYS CB . 17483 1 157 . 1 1 23 23 LYS N N 15 122.076 0.000 . 1 . . . . 23 LYS N . 17483 1 158 . 1 1 24 24 SER H H 1 8.251 0.000 . 1 . . . . 24 SER H . 17483 1 159 . 1 1 24 24 SER HA H 1 4.389 0.000 . 1 . . . . 24 SER HA . 17483 1 160 . 1 1 24 24 SER HB2 H 1 3.807 0.000 . 2 . . . . 24 SER HB2 . 17483 1 161 . 1 1 24 24 SER HB3 H 1 3.786 0.000 . 2 . . . . 24 SER HB3 . 17483 1 162 . 1 1 24 24 SER C C 13 174.377 0.000 . 1 . . . . 24 SER C . 17483 1 163 . 1 1 24 24 SER CA C 13 58.161 0.000 . 1 . . . . 24 SER CA . 17483 1 164 . 1 1 24 24 SER CB C 13 63.758 0.000 . 1 . . . . 24 SER CB . 17483 1 165 . 1 1 24 24 SER N N 15 116.699 0.000 . 1 . . . . 24 SER N . 17483 1 166 . 1 1 25 25 TYR H H 1 8.192 0.000 . 1 . . . . 25 TYR H . 17483 1 167 . 1 1 25 25 TYR HA H 1 4.489 0.000 . 1 . . . . 25 TYR HA . 17483 1 168 . 1 1 25 25 TYR HB2 H 1 2.923 0.000 . 2 . . . . 25 TYR HB2 . 17483 1 169 . 1 1 25 25 TYR HB3 H 1 3.043 0.000 . 2 . . . . 25 TYR HB3 . 17483 1 170 . 1 1 25 25 TYR C C 13 175.790 0.000 . 1 . . . . 25 TYR C . 17483 1 171 . 1 1 25 25 TYR CA C 13 58.100 0.000 . 1 . . . . 25 TYR CA . 17483 1 172 . 1 1 25 25 TYR CB C 13 38.547 0.000 . 1 . . . . 25 TYR CB . 17483 1 173 . 1 1 25 25 TYR N N 15 122.238 0.000 . 1 . . . . 25 TYR N . 17483 1 174 . 1 1 26 26 ALA H H 1 8.115 0.000 . 1 . . . . 26 ALA H . 17483 1 175 . 1 1 26 26 ALA HA H 1 4.226 0.000 . 1 . . . . 26 ALA HA . 17483 1 176 . 1 1 26 26 ALA HB1 H 1 1.323 0.000 . 1 . . . . 26 ALA QB . 17483 1 177 . 1 1 26 26 ALA HB2 H 1 1.323 0.000 . 1 . . . . 26 ALA QB . 17483 1 178 . 1 1 26 26 ALA HB3 H 1 1.323 0.000 . 1 . . . . 26 ALA QB . 17483 1 179 . 1 1 26 26 ALA C C 13 177.738 0.000 . 1 . . . . 26 ALA C . 17483 1 180 . 1 1 26 26 ALA CA C 13 52.700 0.000 . 1 . . . . 26 ALA CA . 17483 1 181 . 1 1 26 26 ALA CB C 13 19.205 0.000 . 1 . . . . 26 ALA CB . 17483 1 182 . 1 1 26 26 ALA N N 15 124.691 0.000 . 1 . . . . 26 ALA N . 17483 1 183 . 1 1 27 27 GLU H H 1 8.197 0.000 . 1 . . . . 27 GLU H . 17483 1 184 . 1 1 27 27 GLU HA H 1 4.184 0.000 . 1 . . . . 27 GLU HA . 17483 1 185 . 1 1 27 27 GLU HB2 H 1 2.024 0.000 . 2 . . . . 27 GLU HB2 . 17483 1 186 . 1 1 27 27 GLU HB3 H 1 1.929 0.000 . 2 . . . . 27 GLU HB3 . 17483 1 187 . 1 1 27 27 GLU C C 13 176.626 0.000 . 1 . . . . 27 GLU C . 17483 1 188 . 1 1 27 27 GLU CA C 13 56.600 0.000 . 1 . . . . 27 GLU CA . 17483 1 189 . 1 1 27 27 GLU CB C 13 30.124 0.000 . 1 . . . . 27 GLU CB . 17483 1 190 . 1 1 27 27 GLU N N 15 119.673 0.000 . 1 . . . . 27 GLU N . 17483 1 191 . 1 1 28 28 GLN H H 1 8.273 0.000 . 1 . . . . 28 GLN H . 17483 1 192 . 1 1 28 28 GLN HA H 1 4.351 0.000 . 1 . . . . 28 GLN HA . 17483 1 193 . 1 1 28 28 GLN HB2 H 1 2.143 0.000 . 2 . . . . 28 GLN HB2 . 17483 1 194 . 1 1 28 28 GLN HB3 H 1 1.969 0.000 . 2 . . . . 28 GLN HB3 . 17483 1 195 . 1 1 28 28 GLN C C 13 176.549 0.000 . 1 . . . . 28 GLN C . 17483 1 196 . 1 1 28 28 GLN CA C 13 56.282 0.000 . 1 . . . . 28 GLN CA . 17483 1 197 . 1 1 28 28 GLN CB C 13 29.310 0.000 . 1 . . . . 28 GLN CB . 17483 1 198 . 1 1 28 28 GLN N N 15 121.004 0.000 . 1 . . . . 28 GLN N . 17483 1 199 . 1 1 29 29 GLY H H 1 8.466 0.000 . 1 . . . . 29 GLY H . 17483 1 200 . 1 1 29 29 GLY HA2 H 1 3.930 0.000 . 2 . . . . 29 GLY HA2 . 17483 1 201 . 1 1 29 29 GLY HA3 H 1 3.950 0.000 . 2 . . . . 29 GLY HA3 . 17483 1 202 . 1 1 29 29 GLY C C 13 174.256 0.000 . 1 . . . . 29 GLY C . 17483 1 203 . 1 1 29 29 GLY CA C 13 45.400 0.000 . 1 . . . . 29 GLY CA . 17483 1 204 . 1 1 29 29 GLY N N 15 110.067 0.000 . 1 . . . . 29 GLY N . 17483 1 205 . 1 1 30 30 LYS H H 1 8.039 0.000 . 1 . . . . 30 LYS H . 17483 1 206 . 1 1 30 30 LYS HA H 1 4.266 0.000 . 1 . . . . 30 LYS HA . 17483 1 207 . 1 1 30 30 LYS HB2 H 1 1.752 0.000 . 2 . . . . 30 LYS HB2 . 17483 1 208 . 1 1 30 30 LYS HB3 H 1 1.676 0.000 . 2 . . . . 30 LYS HB3 . 17483 1 209 . 1 1 30 30 LYS C C 13 176.445 0.000 . 1 . . . . 30 LYS C . 17483 1 210 . 1 1 30 30 LYS CA C 13 56.084 0.000 . 1 . . . . 30 LYS CA . 17483 1 211 . 1 1 30 30 LYS CB C 13 33.000 0.000 . 1 . . . . 30 LYS CB . 17483 1 212 . 1 1 30 30 LYS N N 15 120.500 0.000 . 1 . . . . 30 LYS N . 17483 1 213 . 1 1 31 31 GLU H H 1 8.515 0.000 . 1 . . . . 31 GLU H . 17483 1 214 . 1 1 31 31 GLU HA H 1 4.189 0.000 . 1 . . . . 31 GLU HA . 17483 1 215 . 1 1 31 31 GLU HB2 H 1 1.906 0.000 . 2 . . . . 31 GLU HB2 . 17483 1 216 . 1 1 31 31 GLU HB3 H 1 1.833 0.000 . 2 . . . . 31 GLU HB3 . 17483 1 217 . 1 1 31 31 GLU C C 13 175.954 0.000 . 1 . . . . 31 GLU C . 17483 1 218 . 1 1 31 31 GLU CA C 13 56.600 0.000 . 1 . . . . 31 GLU CA . 17483 1 219 . 1 1 31 31 GLU CB C 13 30.000 0.000 . 1 . . . . 31 GLU CB . 17483 1 220 . 1 1 31 31 GLU N N 15 121.348 0.000 . 1 . . . . 31 GLU N . 17483 1 221 . 1 1 32 32 TYR H H 1 8.135 0.000 . 1 . . . . 32 TYR H . 17483 1 222 . 1 1 32 32 TYR HA H 1 4.547 0.000 . 1 . . . . 32 TYR HA . 17483 1 223 . 1 1 32 32 TYR HB2 H 1 3.004 0.000 . 2 . . . . 32 TYR HB2 . 17483 1 224 . 1 1 32 32 TYR HB3 H 1 2.887 0.000 . 2 . . . . 32 TYR HB3 . 17483 1 225 . 1 1 32 32 TYR C C 13 175.402 0.000 . 1 . . . . 32 TYR C . 17483 1 226 . 1 1 32 32 TYR CA C 13 57.690 0.000 . 1 . . . . 32 TYR CA . 17483 1 227 . 1 1 32 32 TYR CB C 13 38.600 0.000 . 1 . . . . 32 TYR CB . 17483 1 228 . 1 1 32 32 TYR N N 15 121.179 0.000 . 1 . . . . 32 TYR N . 17483 1 229 . 1 1 33 33 ILE H H 1 7.980 0.000 . 1 . . . . 33 ILE H . 17483 1 230 . 1 1 33 33 ILE HA H 1 4.157 0.000 . 1 . . . . 33 ILE HA . 17483 1 231 . 1 1 33 33 ILE HB H 1 1.794 0.000 . 1 . . . . 33 ILE HB . 17483 1 232 . 1 1 33 33 ILE C C 13 176.083 0.000 . 1 . . . . 33 ILE C . 17483 1 233 . 1 1 33 33 ILE CA C 13 60.862 0.000 . 1 . . . . 33 ILE CA . 17483 1 234 . 1 1 33 33 ILE CB C 13 38.600 0.000 . 1 . . . . 33 ILE CB . 17483 1 235 . 1 1 33 33 ILE N N 15 123.301 0.000 . 1 . . . . 33 ILE N . 17483 1 236 . 1 1 34 34 THR H H 1 8.114 0.000 . 1 . . . . 34 THR H . 17483 1 237 . 1 1 34 34 THR HA H 1 4.286 0.000 . 1 . . . . 34 THR HA . 17483 1 238 . 1 1 34 34 THR HB H 1 4.178 0.000 . 1 . . . . 34 THR HB . 17483 1 239 . 1 1 34 34 THR C C 13 174.118 0.000 . 1 . . . . 34 THR C . 17483 1 240 . 1 1 34 34 THR CA C 13 61.708 0.000 . 1 . . . . 34 THR CA . 17483 1 241 . 1 1 34 34 THR CB C 13 69.666 0.000 . 1 . . . . 34 THR CB . 17483 1 242 . 1 1 34 34 THR N N 15 118.113 0.000 . 1 . . . . 34 THR N . 17483 1 243 . 1 1 35 35 ASP H H 1 8.287 0.000 . 1 . . . . 35 ASP H . 17483 1 244 . 1 1 35 35 ASP HA H 1 4.568 0.000 . 1 . . . . 35 ASP HA . 17483 1 245 . 1 1 35 35 ASP HB2 H 1 2.654 0.000 . 2 . . . . 35 ASP HB2 . 17483 1 246 . 1 1 35 35 ASP HB3 H 1 2.639 0.000 . 2 . . . . 35 ASP HB3 . 17483 1 247 . 1 1 35 35 ASP C C 13 176.230 0.000 . 1 . . . . 35 ASP C . 17483 1 248 . 1 1 35 35 ASP CA C 13 54.317 0.000 . 1 . . . . 35 ASP CA . 17483 1 249 . 1 1 35 35 ASP CB C 13 41.212 0.000 . 1 . . . . 35 ASP CB . 17483 1 250 . 1 1 35 35 ASP N N 15 123.126 0.000 . 1 . . . . 35 ASP N . 17483 1 251 . 1 1 36 36 LYS H H 1 8.211 0.000 . 1 . . . . 36 LYS H . 17483 1 252 . 1 1 36 36 LYS HA H 1 4.237 0.000 . 1 . . . . 36 LYS HA . 17483 1 253 . 1 1 36 36 LYS HB2 H 1 1.834 0.000 . 2 . . . . 36 LYS HB2 . 17483 1 254 . 1 1 36 36 LYS HB3 H 1 1.714 0.000 . 2 . . . . 36 LYS HB3 . 17483 1 255 . 1 1 36 36 LYS C C 13 176.437 0.000 . 1 . . . . 36 LYS C . 17483 1 256 . 1 1 36 36 LYS CA C 13 56.293 0.000 . 1 . . . . 36 LYS CA . 17483 1 257 . 1 1 36 36 LYS CB C 13 32.732 0.000 . 1 . . . . 36 LYS CB . 17483 1 258 . 1 1 36 36 LYS N N 15 121.597 0.000 . 1 . . . . 36 LYS N . 17483 1 259 . 1 1 37 37 ALA H H 1 8.265 0.000 . 1 . . . . 37 ALA H . 17483 1 260 . 1 1 37 37 ALA HA H 1 4.245 0.000 . 1 . . . . 37 ALA HA . 17483 1 261 . 1 1 37 37 ALA HB1 H 1 1.362 0.000 . 1 . . . . 37 ALA QB . 17483 1 262 . 1 1 37 37 ALA HB2 H 1 1.362 0.000 . 1 . . . . 37 ALA QB . 17483 1 263 . 1 1 37 37 ALA HB3 H 1 1.362 0.000 . 1 . . . . 37 ALA QB . 17483 1 264 . 1 1 37 37 ALA C C 13 177.549 0.000 . 1 . . . . 37 ALA C . 17483 1 265 . 1 1 37 37 ALA CA C 13 52.751 0.000 . 1 . . . . 37 ALA CA . 17483 1 266 . 1 1 37 37 ALA CB C 13 19.079 0.000 . 1 . . . . 37 ALA CB . 17483 1 267 . 1 1 37 37 ALA N N 15 124.587 0.000 . 1 . . . . 37 ALA N . 17483 1 268 . 1 1 38 38 ASP H H 1 8.221 0.000 . 1 . . . . 38 ASP H . 17483 1 269 . 1 1 38 38 ASP HA H 1 4.519 0.000 . 1 . . . . 38 ASP HA . 17483 1 270 . 1 1 38 38 ASP HB2 H 1 2.636 0.000 . 2 . . . . 38 ASP HB2 . 17483 1 271 . 1 1 38 38 ASP HB3 H 1 2.614 0.000 . 2 . . . . 38 ASP HB3 . 17483 1 272 . 1 1 38 38 ASP C C 13 176.316 0.000 . 1 . . . . 38 ASP C . 17483 1 273 . 1 1 38 38 ASP CA C 13 54.382 0.000 . 1 . . . . 38 ASP CA . 17483 1 274 . 1 1 38 38 ASP CB C 13 40.900 0.000 . 1 . . . . 38 ASP CB . 17483 1 275 . 1 1 38 38 ASP N N 15 119.255 0.000 . 1 . . . . 38 ASP N . 17483 1 276 . 1 1 39 39 LYS H H 1 8.124 0.000 . 1 . . . . 39 LYS H . 17483 1 277 . 1 1 39 39 LYS HA H 1 4.286 0.000 . 1 . . . . 39 LYS HA . 17483 1 278 . 1 1 39 39 LYS HB2 H 1 1.812 0.000 . 2 . . . . 39 LYS HB2 . 17483 1 279 . 1 1 39 39 LYS HB3 H 1 1.746 0.000 . 2 . . . . 39 LYS HB3 . 17483 1 280 . 1 1 39 39 LYS C C 13 176.644 0.000 . 1 . . . . 39 LYS C . 17483 1 281 . 1 1 39 39 LYS CA C 13 56.174 0.000 . 1 . . . . 39 LYS CA . 17483 1 282 . 1 1 39 39 LYS CB C 13 32.868 0.000 . 1 . . . . 39 LYS CB . 17483 1 283 . 1 1 39 39 LYS N N 15 121.329 0.000 . 1 . . . . 39 LYS N . 17483 1 284 . 1 1 40 40 VAL H H 1 8.069 0.000 . 1 . . . . 40 VAL H . 17483 1 285 . 1 1 40 40 VAL HA H 1 4.042 0.000 . 1 . . . . 40 VAL HA . 17483 1 286 . 1 1 40 40 VAL HB H 1 2.050 0.000 . 1 . . . . 40 VAL HB . 17483 1 287 . 1 1 40 40 VAL C C 13 175.989 0.000 . 1 . . . . 40 VAL C . 17483 1 288 . 1 1 40 40 VAL CA C 13 62.305 0.000 . 1 . . . . 40 VAL CA . 17483 1 289 . 1 1 40 40 VAL CB C 13 32.579 0.000 . 1 . . . . 40 VAL CB . 17483 1 290 . 1 1 40 40 VAL N N 15 120.997 0.000 . 1 . . . . 40 VAL N . 17483 1 291 . 1 1 41 41 ALA H H 1 8.338 0.000 . 1 . . . . 41 ALA H . 17483 1 292 . 1 1 41 41 ALA HA H 1 4.277 0.000 . 1 . . . . 41 ALA HA . 17483 1 293 . 1 1 41 41 ALA HB1 H 1 1.374 0.000 . 1 . . . . 41 ALA QB . 17483 1 294 . 1 1 41 41 ALA HB2 H 1 1.374 0.000 . 1 . . . . 41 ALA QB . 17483 1 295 . 1 1 41 41 ALA HB3 H 1 1.374 0.000 . 1 . . . . 41 ALA QB . 17483 1 296 . 1 1 41 41 ALA C C 13 178.100 0.000 . 1 . . . . 41 ALA C . 17483 1 297 . 1 1 41 41 ALA CA C 13 52.618 0.000 . 1 . . . . 41 ALA CA . 17483 1 298 . 1 1 41 41 ALA CB C 13 19.141 0.000 . 1 . . . . 41 ALA CB . 17483 1 299 . 1 1 41 41 ALA N N 15 127.677 0.000 . 1 . . . . 41 ALA N . 17483 1 300 . 1 1 42 42 GLY H H 1 8.289 0.000 . 1 . . . . 42 GLY H . 17483 1 301 . 1 1 42 42 GLY HA2 H 1 3.896 0.000 . 2 . . . . 42 GLY HA2 . 17483 1 302 . 1 1 42 42 GLY HA3 H 1 3.916 0.000 . 2 . . . . 42 GLY HA3 . 17483 1 303 . 1 1 42 42 GLY C C 13 173.834 0.000 . 1 . . . . 42 GLY C . 17483 1 304 . 1 1 42 42 GLY CA C 13 45.115 0.000 . 1 . . . . 42 GLY CA . 17483 1 305 . 1 1 42 42 GLY N N 15 108.189 0.000 . 1 . . . . 42 GLY N . 17483 1 306 . 1 1 43 43 LYS H H 1 8.074 0.000 . 1 . . . . 43 LYS H . 17483 1 307 . 1 1 43 43 LYS HA H 1 4.337 0.000 . 1 . . . . 43 LYS HA . 17483 1 308 . 1 1 43 43 LYS HB2 H 1 1.788 0.000 . 2 . . . . 43 LYS HB2 . 17483 1 309 . 1 1 43 43 LYS HB3 H 1 1.708 0.000 . 2 . . . . 43 LYS HB3 . 17483 1 310 . 1 1 43 43 LYS C C 13 176.454 0.000 . 1 . . . . 43 LYS C . 17483 1 311 . 1 1 43 43 LYS CA C 13 56.042 0.007 . 1 . . . . 43 LYS CA . 17483 1 312 . 1 1 43 43 LYS CB C 13 32.979 0.045 . 1 . . . . 43 LYS CB . 17483 1 313 . 1 1 43 43 LYS N N 15 121.030 0.000 . 1 . . . . 43 LYS N . 17483 1 314 . 1 1 44 44 VAL H H 1 8.197 0.000 . 1 . . . . 44 VAL H . 17483 1 315 . 1 1 44 44 VAL HA H 1 4.080 0.000 . 1 . . . . 44 VAL HA . 17483 1 316 . 1 1 44 44 VAL HB H 1 2.004 0.000 . 1 . . . . 44 VAL HB . 17483 1 317 . 1 1 44 44 VAL C C 13 175.868 0.000 . 1 . . . . 44 VAL C . 17483 1 318 . 1 1 44 44 VAL CA C 13 62.077 0.031 . 1 . . . . 44 VAL CA . 17483 1 319 . 1 1 44 44 VAL CB C 13 32.592 0.031 . 1 . . . . 44 VAL CB . 17483 1 320 . 1 1 44 44 VAL N N 15 122.275 0.000 . 1 . . . . 44 VAL N . 17483 1 321 . 1 1 45 45 GLN H H 1 8.537 0.000 . 1 . . . . 45 GLN H . 17483 1 322 . 1 1 45 45 GLN CA C 13 53.331 0.000 . 1 . . . . 45 GLN CA . 17483 1 323 . 1 1 45 45 GLN N N 15 125.905 0.000 . 1 . . . . 45 GLN N . 17483 1 324 . 1 1 46 46 PRO HA H 1 4.373 0.000 . 1 . . . . 46 PRO HA . 17483 1 325 . 1 1 46 46 PRO HB2 H 1 2.281 0.000 . 2 . . . . 46 PRO HB2 . 17483 1 326 . 1 1 46 46 PRO HB3 H 1 1.908 0.000 . 2 . . . . 46 PRO HB3 . 17483 1 327 . 1 1 46 46 PRO C C 13 177.040 0.000 . 1 . . . . 46 PRO C . 17483 1 328 . 1 1 46 46 PRO CA C 13 63.200 0.000 . 1 . . . . 46 PRO CA . 17483 1 329 . 1 1 46 46 PRO CB C 13 32.000 0.000 . 1 . . . . 46 PRO CB . 17483 1 330 . 1 1 47 47 GLU H H 1 8.601 0.000 . 1 . . . . 47 GLU H . 17483 1 331 . 1 1 47 47 GLU HA H 1 4.213 0.000 . 1 . . . . 47 GLU HA . 17483 1 332 . 1 1 47 47 GLU HB2 H 1 2.016 0.000 . 2 . . . . 47 GLU HB2 . 17483 1 333 . 1 1 47 47 GLU HB3 H 1 1.910 0.000 . 2 . . . . 47 GLU HB3 . 17483 1 334 . 1 1 47 47 GLU C C 13 176.264 0.000 . 1 . . . . 47 GLU C . 17483 1 335 . 1 1 47 47 GLU CA C 13 56.600 0.000 . 1 . . . . 47 GLU CA . 17483 1 336 . 1 1 47 47 GLU CB C 13 30.100 0.000 . 1 . . . . 47 GLU CB . 17483 1 337 . 1 1 47 47 GLU N N 15 120.673 0.000 . 1 . . . . 47 GLU N . 17483 1 338 . 1 1 48 48 ASP H H 1 8.297 0.000 . 1 . . . . 48 ASP H . 17483 1 339 . 1 1 48 48 ASP HA H 1 4.561 0.000 . 1 . . . . 48 ASP HA . 17483 1 340 . 1 1 48 48 ASP HB2 H 1 2.672 0.000 . 2 . . . . 48 ASP HB2 . 17483 1 341 . 1 1 48 48 ASP HB3 H 1 2.617 0.000 . 2 . . . . 48 ASP HB3 . 17483 1 342 . 1 1 48 48 ASP C C 13 175.885 0.000 . 1 . . . . 48 ASP C . 17483 1 343 . 1 1 48 48 ASP CA C 13 54.200 0.000 . 1 . . . . 48 ASP CA . 17483 1 344 . 1 1 48 48 ASP CB C 13 41.100 0.000 . 1 . . . . 48 ASP CB . 17483 1 345 . 1 1 48 48 ASP N N 15 121.298 0.000 . 1 . . . . 48 ASP N . 17483 1 346 . 1 1 49 49 ASN H H 1 8.335 0.000 . 1 . . . . 49 ASN H . 17483 1 347 . 1 1 49 49 ASN HA H 1 4.665 0.000 . 1 . . . . 49 ASN HA . 17483 1 348 . 1 1 49 49 ASN HB2 H 1 2.806 0.000 . 2 . . . . 49 ASN HB2 . 17483 1 349 . 1 1 49 49 ASN HB3 H 1 2.773 0.000 . 2 . . . . 49 ASN HB3 . 17483 1 350 . 1 1 49 49 ASN C C 13 175.437 0.000 . 1 . . . . 49 ASN C . 17483 1 351 . 1 1 49 49 ASN CA C 13 53.200 0.000 . 1 . . . . 49 ASN CA . 17483 1 352 . 1 1 49 49 ASN CB C 13 38.609 0.000 . 1 . . . . 49 ASN CB . 17483 1 353 . 1 1 49 49 ASN N N 15 119.416 0.000 . 1 . . . . 49 ASN N . 17483 1 354 . 1 1 50 50 LYS H H 1 8.313 0.000 . 1 . . . . 50 LYS H . 17483 1 355 . 1 1 50 50 LYS HA H 1 4.255 0.000 . 1 . . . . 50 LYS HA . 17483 1 356 . 1 1 50 50 LYS HB2 H 1 1.864 0.000 . 2 . . . . 50 LYS HB2 . 17483 1 357 . 1 1 50 50 LYS HB3 H 1 1.782 0.000 . 2 . . . . 50 LYS HB3 . 17483 1 358 . 1 1 50 50 LYS C C 13 177.152 0.000 . 1 . . . . 50 LYS C . 17483 1 359 . 1 1 50 50 LYS CA C 13 56.600 0.000 . 1 . . . . 50 LYS CA . 17483 1 360 . 1 1 50 50 LYS CB C 13 32.400 0.000 . 1 . . . . 50 LYS CB . 17483 1 361 . 1 1 50 50 LYS N N 15 120.989 0.000 . 1 . . . . 50 LYS N . 17483 1 362 . 1 1 51 51 GLY H H 1 8.368 0.000 . 1 . . . . 51 GLY H . 17483 1 363 . 1 1 51 51 GLY HA2 H 1 3.885 0.000 . 2 . . . . 51 GLY HA2 . 17483 1 364 . 1 1 51 51 GLY HA3 H 1 3.901 0.000 . 2 . . . . 51 GLY HA3 . 17483 1 365 . 1 1 51 51 GLY C C 13 174.032 0.000 . 1 . . . . 51 GLY C . 17483 1 366 . 1 1 51 51 GLY CA C 13 45.300 0.000 . 1 . . . . 51 GLY CA . 17483 1 367 . 1 1 51 51 GLY N N 15 109.202 0.000 . 1 . . . . 51 GLY N . 17483 1 368 . 1 1 52 52 VAL H H 1 7.818 0.000 . 1 . . . . 52 VAL H . 17483 1 369 . 1 1 52 52 VAL HA H 1 4.039 0.000 . 1 . . . . 52 VAL HA . 17483 1 370 . 1 1 52 52 VAL HB H 1 1.958 0.000 . 1 . . . . 52 VAL HB . 17483 1 371 . 1 1 52 52 VAL C C 13 175.928 0.000 . 1 . . . . 52 VAL C . 17483 1 372 . 1 1 52 52 VAL CA C 13 62.205 0.000 . 1 . . . . 52 VAL CA . 17483 1 373 . 1 1 52 52 VAL CB C 13 32.605 0.000 . 1 . . . . 52 VAL CB . 17483 1 374 . 1 1 52 52 VAL N N 15 119.230 0.000 . 1 . . . . 52 VAL N . 17483 1 375 . 1 1 53 53 PHE H H 1 8.373 0.000 . 1 . . . . 53 PHE H . 17483 1 376 . 1 1 53 53 PHE HA H 1 4.606 0.000 . 1 . . . . 53 PHE HA . 17483 1 377 . 1 1 53 53 PHE HB2 H 1 3.058 0.000 . 2 . . . . 53 PHE HB2 . 17483 1 378 . 1 1 53 53 PHE HB3 H 1 3.025 0.000 . 2 . . . . 53 PHE HB3 . 17483 1 379 . 1 1 53 53 PHE C C 13 175.583 0.000 . 1 . . . . 53 PHE C . 17483 1 380 . 1 1 53 53 PHE CA C 13 57.645 0.000 . 1 . . . . 53 PHE CA . 17483 1 381 . 1 1 53 53 PHE CB C 13 39.400 0.000 . 1 . . . . 53 PHE CB . 17483 1 382 . 1 1 53 53 PHE N N 15 124.263 0.000 . 1 . . . . 53 PHE N . 17483 1 383 . 1 1 54 54 GLN H H 1 8.305 0.000 . 1 . . . . 54 GLN H . 17483 1 384 . 1 1 54 54 GLN HA H 1 4.274 0.000 . 1 . . . . 54 GLN HA . 17483 1 385 . 1 1 54 54 GLN HB2 H 1 2.050 0.000 . 2 . . . . 54 GLN HB2 . 17483 1 386 . 1 1 54 54 GLN HB3 H 1 1.876 0.000 . 2 . . . . 54 GLN HB3 . 17483 1 387 . 1 1 54 54 GLN C C 13 175.790 0.000 . 1 . . . . 54 GLN C . 17483 1 388 . 1 1 54 54 GLN CA C 13 55.621 0.000 . 1 . . . . 54 GLN CA . 17483 1 389 . 1 1 54 54 GLN CB C 13 29.471 0.000 . 1 . . . . 54 GLN CB . 17483 1 390 . 1 1 54 54 GLN N N 15 123.222 0.000 . 1 . . . . 54 GLN N . 17483 1 391 . 1 1 55 55 GLY H H 1 7.801 0.000 . 1 . . . . 55 GLY H . 17483 1 392 . 1 1 55 55 GLY HA2 H 1 3.851 0.000 . 2 . . . . 55 GLY HA2 . 17483 1 393 . 1 1 55 55 GLY HA3 H 1 3.870 0.000 . 2 . . . . 55 GLY HA3 . 17483 1 394 . 1 1 55 55 GLY C C 13 173.713 0.000 . 1 . . . . 55 GLY C . 17483 1 395 . 1 1 55 55 GLY CA C 13 45.110 0.000 . 1 . . . . 55 GLY CA . 17483 1 396 . 1 1 55 55 GLY N N 15 109.502 0.000 . 1 . . . . 55 GLY N . 17483 1 397 . 1 1 56 56 VAL H H 1 7.987 0.000 . 1 . . . . 56 VAL H . 17483 1 398 . 1 1 56 56 VAL HA H 1 4.068 0.000 . 1 . . . . 56 VAL HA . 17483 1 399 . 1 1 56 56 VAL HB H 1 1.993 0.000 . 1 . . . . 56 VAL HB . 17483 1 400 . 1 1 56 56 VAL C C 13 176.058 0.000 . 1 . . . . 56 VAL C . 17483 1 401 . 1 1 56 56 VAL CA C 13 62.231 0.000 . 1 . . . . 56 VAL CA . 17483 1 402 . 1 1 56 56 VAL CB C 13 32.685 0.000 . 1 . . . . 56 VAL CB . 17483 1 403 . 1 1 56 56 VAL N N 15 119.161 0.000 . 1 . . . . 56 VAL N . 17483 1 404 . 1 1 57 57 HIS H H 1 8.553 0.000 . 1 . . . . 57 HIS H . 17483 1 405 . 1 1 57 57 HIS HA H 1 4.647 0.000 . 1 . . . . 57 HIS HA . 17483 1 406 . 1 1 57 57 HIS HB2 H 1 3.138 0.000 . 2 . . . . 57 HIS HB2 . 17483 1 407 . 1 1 57 57 HIS HB3 H 1 3.031 0.000 . 2 . . . . 57 HIS HB3 . 17483 1 408 . 1 1 57 57 HIS C C 13 174.808 0.000 . 1 . . . . 57 HIS C . 17483 1 409 . 1 1 57 57 HIS CA C 13 55.865 0.000 . 1 . . . . 57 HIS CA . 17483 1 410 . 1 1 57 57 HIS N N 15 122.735 0.000 . 1 . . . . 57 HIS N . 17483 1 411 . 1 1 58 58 ASP H H 1 8.344 0.000 . 1 . . . . 58 ASP H . 17483 1 412 . 1 1 58 58 ASP HA H 1 4.577 0.000 . 1 . . . . 58 ASP HA . 17483 1 413 . 1 1 58 58 ASP HB2 H 1 2.652 0.000 . 2 . . . . 58 ASP HB2 . 17483 1 414 . 1 1 58 58 ASP HB3 H 1 2.594 0.000 . 2 . . . . 58 ASP HB3 . 17483 1 415 . 1 1 58 58 ASP C C 13 176.264 0.000 . 1 . . . . 58 ASP C . 17483 1 416 . 1 1 58 58 ASP CA C 13 54.261 0.000 . 1 . . . . 58 ASP CA . 17483 1 417 . 1 1 58 58 ASP CB C 13 41.284 0.000 . 1 . . . . 58 ASP CB . 17483 1 418 . 1 1 58 58 ASP N N 15 122.404 0.000 . 1 . . . . 58 ASP N . 17483 1 419 . 1 1 59 59 SER H H 1 8.338 0.000 . 1 . . . . 59 SER H . 17483 1 420 . 1 1 59 59 SER HA H 1 4.366 0.000 . 1 . . . . 59 SER HA . 17483 1 421 . 1 1 59 59 SER HB2 H 1 3.902 0.000 . 2 . . . . 59 SER HB2 . 17483 1 422 . 1 1 59 59 SER HB3 H 1 3.829 0.000 . 2 . . . . 59 SER HB3 . 17483 1 423 . 1 1 59 59 SER C C 13 174.558 0.000 . 1 . . . . 59 SER C . 17483 1 424 . 1 1 59 59 SER CA C 13 58.400 0.000 . 1 . . . . 59 SER CA . 17483 1 425 . 1 1 59 59 SER CB C 13 63.600 0.000 . 1 . . . . 59 SER CB . 17483 1 426 . 1 1 59 59 SER N N 15 116.758 0.000 . 1 . . . . 59 SER N . 17483 1 427 . 1 1 60 60 ALA H H 1 8.360 0.000 . 1 . . . . 60 ALA H . 17483 1 428 . 1 1 60 60 ALA HA H 1 4.277 0.000 . 1 . . . . 60 ALA HA . 17483 1 429 . 1 1 60 60 ALA HB1 H 1 1.380 0.000 . 1 . . . . 60 ALA QB . 17483 1 430 . 1 1 60 60 ALA HB2 H 1 1.380 0.000 . 1 . . . . 60 ALA QB . 17483 1 431 . 1 1 60 60 ALA HB3 H 1 1.380 0.000 . 1 . . . . 60 ALA QB . 17483 1 432 . 1 1 60 60 ALA C C 13 177.902 0.000 . 1 . . . . 60 ALA C . 17483 1 433 . 1 1 60 60 ALA CA C 13 52.700 0.000 . 1 . . . . 60 ALA CA . 17483 1 434 . 1 1 60 60 ALA CB C 13 19.000 0.000 . 1 . . . . 60 ALA CB . 17483 1 435 . 1 1 60 60 ALA N N 15 125.820 0.000 . 1 . . . . 60 ALA N . 17483 1 436 . 1 1 61 61 GLU H H 1 8.234 0.000 . 1 . . . . 61 GLU H . 17483 1 437 . 1 1 61 61 GLU HA H 1 4.214 0.000 . 1 . . . . 61 GLU HA . 17483 1 438 . 1 1 61 61 GLU HB2 H 1 2.019 0.000 . 2 . . . . 61 GLU HB2 . 17483 1 439 . 1 1 61 61 GLU HB3 H 1 1.919 0.000 . 2 . . . . 61 GLU HB3 . 17483 1 440 . 1 1 61 61 GLU C C 13 176.626 0.000 . 1 . . . . 61 GLU C . 17483 1 441 . 1 1 61 61 GLU CA C 13 56.576 0.000 . 1 . . . . 61 GLU CA . 17483 1 442 . 1 1 61 61 GLU CB C 13 30.091 0.000 . 1 . . . . 61 GLU CB . 17483 1 443 . 1 1 61 61 GLU N N 15 119.796 0.000 . 1 . . . . 61 GLU N . 17483 1 444 . 1 1 62 62 LYS H H 1 8.253 0.000 . 1 . . . . 62 LYS H . 17483 1 445 . 1 1 62 62 LYS CA C 13 56.429 0.000 . 1 . . . . 62 LYS CA . 17483 1 446 . 1 1 62 62 LYS CB C 13 32.871 0.000 . 1 . . . . 62 LYS CB . 17483 1 447 . 1 1 62 62 LYS N N 15 122.508 0.000 . 1 . . . . 62 LYS N . 17483 1 448 . 1 1 66 66 ASN HA H 1 4.655 0.000 . 1 . . . . 66 ASN HA . 17483 1 449 . 1 1 66 66 ASN HB2 H 1 2.805 0.000 . 2 . . . . 66 ASN HB2 . 17483 1 450 . 1 1 66 66 ASN HB3 H 1 2.731 0.000 . 2 . . . . 66 ASN HB3 . 17483 1 451 . 1 1 66 66 ASN C C 13 175.084 0.000 . 1 . . . . 66 ASN C . 17483 1 452 . 1 1 66 66 ASN CA C 13 52.877 0.000 . 1 . . . . 66 ASN CA . 17483 1 453 . 1 1 66 66 ASN CB C 13 38.822 0.000 . 1 . . . . 66 ASN CB . 17483 1 454 . 1 1 67 67 ALA H H 1 8.303 0.000 . 1 . . . . 67 ALA H . 17483 1 455 . 1 1 67 67 ALA HA H 1 4.267 0.000 . 1 . . . . 67 ALA HA . 17483 1 456 . 1 1 67 67 ALA HB1 H 1 1.372 0.000 . 1 . . . . 67 ALA QB . 17483 1 457 . 1 1 67 67 ALA HB2 H 1 1.372 0.000 . 1 . . . . 67 ALA QB . 17483 1 458 . 1 1 67 67 ALA HB3 H 1 1.372 0.000 . 1 . . . . 67 ALA QB . 17483 1 459 . 1 1 67 67 ALA C C 13 177.876 0.000 . 1 . . . . 67 ALA C . 17483 1 460 . 1 1 67 67 ALA CA C 13 52.700 0.000 . 1 . . . . 67 ALA CA . 17483 1 461 . 1 1 67 67 ALA CB C 13 19.100 0.000 . 1 . . . . 67 ALA CB . 17483 1 462 . 1 1 67 67 ALA N N 15 124.309 0.000 . 1 . . . . 67 ALA N . 17483 1 463 . 1 1 68 68 GLU H H 1 8.353 0.000 . 1 . . . . 68 GLU H . 17483 1 464 . 1 1 68 68 GLU HA H 1 4.235 0.000 . 1 . . . . 68 GLU HA . 17483 1 465 . 1 1 68 68 GLU HB2 H 1 2.049 0.000 . 2 . . . . 68 GLU HB2 . 17483 1 466 . 1 1 68 68 GLU HB3 H 1 1.950 0.000 . 2 . . . . 68 GLU HB3 . 17483 1 467 . 1 1 68 68 GLU C C 13 177.247 0.000 . 1 . . . . 68 GLU C . 17483 1 468 . 1 1 68 68 GLU CA C 13 56.847 0.000 . 1 . . . . 68 GLU CA . 17483 1 469 . 1 1 68 68 GLU CB C 13 30.000 0.000 . 1 . . . . 68 GLU CB . 17483 1 470 . 1 1 68 68 GLU N N 15 119.713 0.000 . 1 . . . . 68 GLU N . 17483 1 471 . 1 1 69 69 GLY H H 1 8.402 0.000 . 1 . . . . 69 GLY H . 17483 1 472 . 1 1 69 69 GLY HA2 H 1 3.930 0.000 . 2 . . . . 69 GLY HA2 . 17483 1 473 . 1 1 69 69 GLY HA3 H 1 3.951 0.000 . 2 . . . . 69 GLY HA3 . 17483 1 474 . 1 1 69 69 GLY C C 13 174.325 0.000 . 1 . . . . 69 GLY C . 17483 1 475 . 1 1 69 69 GLY CA C 13 45.400 0.000 . 1 . . . . 69 GLY CA . 17483 1 476 . 1 1 69 69 GLY N N 15 109.950 0.000 . 1 . . . . 69 GLY N . 17483 1 477 . 1 1 70 70 GLN H H 1 8.238 0.000 . 1 . . . . 70 GLN H . 17483 1 478 . 1 1 70 70 GLN HA H 1 4.254 0.000 . 1 . . . . 70 GLN HA . 17483 1 479 . 1 1 70 70 GLN HB2 H 1 2.089 0.000 . 2 . . . . 70 GLN HB2 . 17483 1 480 . 1 1 70 70 GLN HB3 H 1 1.968 0.000 . 2 . . . . 70 GLN HB3 . 17483 1 481 . 1 1 70 70 GLN C C 13 176.566 0.000 . 1 . . . . 70 GLN C . 17483 1 482 . 1 1 70 70 GLN CA C 13 55.785 0.000 . 1 . . . . 70 GLN CA . 17483 1 483 . 1 1 70 70 GLN CB C 13 29.400 0.000 . 1 . . . . 70 GLN CB . 17483 1 484 . 1 1 70 70 GLN N N 15 119.648 0.000 . 1 . . . . 70 GLN N . 17483 1 485 . 1 1 71 71 GLY H H 1 8.469 0.000 . 1 . . . . 71 GLY H . 17483 1 486 . 1 1 71 71 GLY HA2 H 1 3.930 0.000 . 2 . . . . 71 GLY HA2 . 17483 1 487 . 1 1 71 71 GLY HA3 H 1 3.950 0.000 . 2 . . . . 71 GLY HA3 . 17483 1 488 . 1 1 71 71 GLY C C 13 174.144 0.000 . 1 . . . . 71 GLY C . 17483 1 489 . 1 1 71 71 GLY CA C 13 45.267 0.000 . 1 . . . . 71 GLY CA . 17483 1 490 . 1 1 71 71 GLY N N 15 110.153 0.000 . 1 . . . . 71 GLY N . 17483 1 491 . 1 1 72 72 GLU H H 1 8.336 0.000 . 1 . . . . 72 GLU H . 17483 1 492 . 1 1 72 72 GLU HA H 1 4.298 0.000 . 1 . . . . 72 GLU HA . 17483 1 493 . 1 1 72 72 GLU HB2 H 1 2.036 0.000 . 2 . . . . 72 GLU HB2 . 17483 1 494 . 1 1 72 72 GLU HB3 H 1 1.909 0.000 . 2 . . . . 72 GLU HB3 . 17483 1 495 . 1 1 72 72 GLU C C 13 176.661 0.000 . 1 . . . . 72 GLU C . 17483 1 496 . 1 1 72 72 GLU CA C 13 56.486 0.000 . 1 . . . . 72 GLU CA . 17483 1 497 . 1 1 72 72 GLU CB C 13 30.397 0.000 . 1 . . . . 72 GLU CB . 17483 1 498 . 1 1 72 72 GLU N N 15 120.818 0.000 . 1 . . . . 72 GLU N . 17483 1 499 . 1 1 73 73 SER H H 1 8.458 0.000 . 1 . . . . 73 SER H . 17483 1 500 . 1 1 73 73 SER HA H 1 4.439 0.000 . 1 . . . . 73 SER HA . 17483 1 501 . 1 1 73 73 SER HB2 H 1 3.873 0.000 . 2 . . . . 73 SER HB2 . 17483 1 502 . 1 1 73 73 SER HB3 H 1 3.864 0.000 . 2 . . . . 73 SER HB3 . 17483 1 503 . 1 1 73 73 SER C C 13 174.782 0.000 . 1 . . . . 73 SER C . 17483 1 504 . 1 1 73 73 SER CA C 13 58.165 0.000 . 1 . . . . 73 SER CA . 17483 1 505 . 1 1 73 73 SER CB C 13 63.661 0.000 . 1 . . . . 73 SER CB . 17483 1 506 . 1 1 73 73 SER N N 15 117.144 0.000 . 1 . . . . 73 SER N . 17483 1 507 . 1 1 74 74 LEU H H 1 8.338 0.000 . 1 . . . . 74 LEU H . 17483 1 508 . 1 1 74 74 LEU HA H 1 4.288 0.000 . 1 . . . . 74 LEU HA . 17483 1 509 . 1 1 74 74 LEU HB2 H 1 1.617 0.000 . 2 . . . . 74 LEU HB2 . 17483 1 510 . 1 1 74 74 LEU HB3 H 1 1.567 0.000 . 2 . . . . 74 LEU HB3 . 17483 1 511 . 1 1 74 74 LEU C C 13 177.678 0.000 . 1 . . . . 74 LEU C . 17483 1 512 . 1 1 74 74 LEU CA C 13 55.476 0.000 . 1 . . . . 74 LEU CA . 17483 1 513 . 1 1 74 74 LEU CB C 13 42.000 0.000 . 1 . . . . 74 LEU CB . 17483 1 514 . 1 1 74 74 LEU N N 15 124.496 0.000 . 1 . . . . 74 LEU N . 17483 1 515 . 1 1 75 75 ALA H H 1 8.201 0.000 . 1 . . . . 75 ALA H . 17483 1 516 . 1 1 75 75 ALA HA H 1 4.211 0.000 . 1 . . . . 75 ALA HA . 17483 1 517 . 1 1 75 75 ALA HB1 H 1 1.356 0.000 . 1 . . . . 75 ALA QB . 17483 1 518 . 1 1 75 75 ALA HB2 H 1 1.356 0.000 . 1 . . . . 75 ALA QB . 17483 1 519 . 1 1 75 75 ALA HB3 H 1 1.356 0.000 . 1 . . . . 75 ALA QB . 17483 1 520 . 1 1 75 75 ALA C C 13 177.971 0.000 . 1 . . . . 75 ALA C . 17483 1 521 . 1 1 75 75 ALA CA C 13 53.000 0.000 . 1 . . . . 75 ALA CA . 17483 1 522 . 1 1 75 75 ALA CB C 13 18.951 0.000 . 1 . . . . 75 ALA CB . 17483 1 523 . 1 1 75 75 ALA N N 15 123.940 0.000 . 1 . . . . 75 ALA N . 17483 1 524 . 1 1 76 76 ASP H H 1 8.154 0.000 . 1 . . . . 76 ASP H . 17483 1 525 . 1 1 76 76 ASP HA H 1 4.485 0.000 . 1 . . . . 76 ASP HA . 17483 1 526 . 1 1 76 76 ASP HB2 H 1 2.673 0.000 . 2 . . . . 76 ASP HB2 . 17483 1 527 . 1 1 76 76 ASP HB3 H 1 2.625 0.000 . 2 . . . . 76 ASP HB3 . 17483 1 528 . 1 1 76 76 ASP C C 13 176.652 0.000 . 1 . . . . 76 ASP C . 17483 1 529 . 1 1 76 76 ASP CA C 13 54.700 0.000 . 1 . . . . 76 ASP CA . 17483 1 530 . 1 1 76 76 ASP CB C 13 40.800 0.000 . 1 . . . . 76 ASP CB . 17483 1 531 . 1 1 76 76 ASP N N 15 118.990 0.000 . 1 . . . . 76 ASP N . 17483 1 532 . 1 1 77 77 GLN H H 1 8.129 0.000 . 1 . . . . 77 GLN H . 17483 1 533 . 1 1 77 77 GLN HA H 1 4.222 0.000 . 1 . . . . 77 GLN HA . 17483 1 534 . 1 1 77 77 GLN HB2 H 1 2.117 0.000 . 2 . . . . 77 GLN HB2 . 17483 1 535 . 1 1 77 77 GLN HB3 H 1 1.971 0.000 . 2 . . . . 77 GLN HB3 . 17483 1 536 . 1 1 77 77 GLN C C 13 176.101 0.000 . 1 . . . . 77 GLN C . 17483 1 537 . 1 1 77 77 GLN CA C 13 56.244 0.000 . 1 . . . . 77 GLN CA . 17483 1 538 . 1 1 77 77 GLN CB C 13 29.200 0.000 . 1 . . . . 77 GLN CB . 17483 1 539 . 1 1 77 77 GLN N N 15 120.084 0.000 . 1 . . . . 77 GLN N . 17483 1 540 . 1 1 78 78 ALA H H 1 8.167 0.000 . 1 . . . . 78 ALA H . 17483 1 541 . 1 1 78 78 ALA HA H 1 4.249 0.000 . 1 . . . . 78 ALA HA . 17483 1 542 . 1 1 78 78 ALA HB1 H 1 1.389 0.000 . 1 . . . . 78 ALA QB . 17483 1 543 . 1 1 78 78 ALA HB2 H 1 1.389 0.000 . 1 . . . . 78 ALA QB . 17483 1 544 . 1 1 78 78 ALA HB3 H 1 1.389 0.000 . 1 . . . . 78 ALA QB . 17483 1 545 . 1 1 78 78 ALA C C 13 177.988 0.000 . 1 . . . . 78 ALA C . 17483 1 546 . 1 1 78 78 ALA CA C 13 52.819 0.000 . 1 . . . . 78 ALA CA . 17483 1 547 . 1 1 78 78 ALA CB C 13 18.842 0.000 . 1 . . . . 78 ALA CB . 17483 1 548 . 1 1 78 78 ALA N N 15 123.868 0.000 . 1 . . . . 78 ALA N . 17483 1 549 . 1 1 79 79 ARG H H 1 8.057 0.000 . 1 . . . . 79 ARG H . 17483 1 550 . 1 1 79 79 ARG HA H 1 4.231 0.000 . 1 . . . . 79 ARG HA . 17483 1 551 . 1 1 79 79 ARG HB2 H 1 1.739 0.000 . 2 . . . . 79 ARG HB2 . 17483 1 552 . 1 1 79 79 ARG HB3 H 1 1.725 0.000 . 2 . . . . 79 ARG HB3 . 17483 1 553 . 1 1 79 79 ARG C C 13 176.204 0.000 . 1 . . . . 79 ARG C . 17483 1 554 . 1 1 79 79 ARG CA C 13 56.300 0.000 . 1 . . . . 79 ARG CA . 17483 1 555 . 1 1 79 79 ARG CB C 13 30.700 0.000 . 1 . . . . 79 ARG CB . 17483 1 556 . 1 1 79 79 ARG N N 15 119.554 0.000 . 1 . . . . 79 ARG N . 17483 1 557 . 1 1 80 80 ASP H H 1 8.215 0.000 . 1 . . . . 80 ASP H . 17483 1 558 . 1 1 80 80 ASP HA H 1 4.543 0.000 . 1 . . . . 80 ASP HA . 17483 1 559 . 1 1 80 80 ASP HB2 H 1 2.609 0.000 . 2 . . . . 80 ASP HB2 . 17483 1 560 . 1 1 80 80 ASP HB3 H 1 2.584 0.000 . 2 . . . . 80 ASP HB3 . 17483 1 561 . 1 1 80 80 ASP C C 13 176.273 0.000 . 1 . . . . 80 ASP C . 17483 1 562 . 1 1 80 80 ASP CA C 13 54.200 0.000 . 1 . . . . 80 ASP CA . 17483 1 563 . 1 1 80 80 ASP CB C 13 40.800 0.000 . 1 . . . . 80 ASP CB . 17483 1 564 . 1 1 80 80 ASP N N 15 120.316 0.000 . 1 . . . . 80 ASP N . 17483 1 565 . 1 1 81 81 TYR H H 1 8.023 0.000 . 1 . . . . 81 TYR H . 17483 1 566 . 1 1 81 81 TYR HA H 1 4.470 0.000 . 1 . . . . 81 TYR HA . 17483 1 567 . 1 1 81 81 TYR HB2 H 1 3.020 0.000 . 2 . . . . 81 TYR HB2 . 17483 1 568 . 1 1 81 81 TYR HB3 H 1 3.014 0.000 . 2 . . . . 81 TYR HB3 . 17483 1 569 . 1 1 81 81 TYR C C 13 176.230 0.000 . 1 . . . . 81 TYR C . 17483 1 570 . 1 1 81 81 TYR CA C 13 58.399 0.000 . 1 . . . . 81 TYR CA . 17483 1 571 . 1 1 81 81 TYR CB C 13 38.304 0.000 . 1 . . . . 81 TYR CB . 17483 1 572 . 1 1 81 81 TYR N N 15 120.471 0.000 . 1 . . . . 81 TYR N . 17483 1 573 . 1 1 82 82 MET H H 1 8.202 0.000 . 1 . . . . 82 MET H . 17483 1 574 . 1 1 82 82 MET HA H 1 4.361 0.000 . 1 . . . . 82 MET HA . 17483 1 575 . 1 1 82 82 MET HB2 H 1 2.047 0.000 . 2 . . . . 82 MET HB2 . 17483 1 576 . 1 1 82 82 MET HB3 H 1 1.948 0.000 . 2 . . . . 82 MET HB3 . 17483 1 577 . 1 1 82 82 MET C C 13 176.764 0.000 . 1 . . . . 82 MET C . 17483 1 578 . 1 1 82 82 MET CA C 13 55.725 0.000 . 1 . . . . 82 MET CA . 17483 1 579 . 1 1 82 82 MET CB C 13 32.334 0.000 . 1 . . . . 82 MET CB . 17483 1 580 . 1 1 82 82 MET N N 15 121.552 0.000 . 1 . . . . 82 MET N . 17483 1 581 . 1 1 83 83 GLY H H 1 7.850 0.000 . 1 . . . . 83 GLY H . 17483 1 582 . 1 1 83 83 GLY HA2 H 1 3.858 0.000 . 2 . . . . 83 GLY HA2 . 17483 1 583 . 1 1 83 83 GLY HA3 H 1 3.866 0.000 . 2 . . . . 83 GLY HA3 . 17483 1 584 . 1 1 83 83 GLY C C 13 173.997 0.000 . 1 . . . . 83 GLY C . 17483 1 585 . 1 1 83 83 GLY CA C 13 45.442 0.000 . 1 . . . . 83 GLY CA . 17483 1 586 . 1 1 83 83 GLY N N 15 108.993 0.000 . 1 . . . . 83 GLY N . 17483 1 587 . 1 1 84 84 ALA H H 1 8.081 0.000 . 1 . . . . 84 ALA H . 17483 1 588 . 1 1 84 84 ALA HA H 1 4.265 0.000 . 1 . . . . 84 ALA HA . 17483 1 589 . 1 1 84 84 ALA HB1 H 1 1.362 0.000 . 1 . . . . 84 ALA QB . 17483 1 590 . 1 1 84 84 ALA HB2 H 1 1.362 0.000 . 1 . . . . 84 ALA QB . 17483 1 591 . 1 1 84 84 ALA HB3 H 1 1.362 0.000 . 1 . . . . 84 ALA QB . 17483 1 592 . 1 1 84 84 ALA C C 13 177.781 0.000 . 1 . . . . 84 ALA C . 17483 1 593 . 1 1 84 84 ALA CA C 13 52.500 0.000 . 1 . . . . 84 ALA CA . 17483 1 594 . 1 1 84 84 ALA CB C 13 19.016 0.000 . 1 . . . . 84 ALA CB . 17483 1 595 . 1 1 84 84 ALA N N 15 123.774 0.000 . 1 . . . . 84 ALA N . 17483 1 596 . 1 1 85 85 ALA H H 1 8.219 0.000 . 1 . . . . 85 ALA H . 17483 1 597 . 1 1 85 85 ALA HA H 1 4.239 0.000 . 1 . . . . 85 ALA HA . 17483 1 598 . 1 1 85 85 ALA HB1 H 1 1.364 0.000 . 1 . . . . 85 ALA QB . 17483 1 599 . 1 1 85 85 ALA HB2 H 1 1.364 0.000 . 1 . . . . 85 ALA QB . 17483 1 600 . 1 1 85 85 ALA HB3 H 1 1.364 0.000 . 1 . . . . 85 ALA QB . 17483 1 601 . 1 1 85 85 ALA C C 13 178.023 0.000 . 1 . . . . 85 ALA C . 17483 1 602 . 1 1 85 85 ALA CA C 13 52.643 0.000 . 1 . . . . 85 ALA CA . 17483 1 603 . 1 1 85 85 ALA CB C 13 18.929 0.000 . 1 . . . . 85 ALA CB . 17483 1 604 . 1 1 85 85 ALA N N 15 122.869 0.000 . 1 . . . . 85 ALA N . 17483 1 605 . 1 1 86 86 LYS H H 1 8.172 0.000 . 1 . . . . 86 LYS H . 17483 1 606 . 1 1 86 86 LYS HA H 1 4.255 0.000 . 1 . . . . 86 LYS HA . 17483 1 607 . 1 1 86 86 LYS HB2 H 1 1.822 0.000 . 2 . . . . 86 LYS HB2 . 17483 1 608 . 1 1 86 86 LYS HB3 H 1 1.726 0.000 . 2 . . . . 86 LYS HB3 . 17483 1 609 . 1 1 86 86 LYS C C 13 176.790 0.000 . 1 . . . . 86 LYS C . 17483 1 610 . 1 1 86 86 LYS CA C 13 56.353 0.000 . 1 . . . . 86 LYS CA . 17483 1 611 . 1 1 86 86 LYS CB C 13 32.890 0.000 . 1 . . . . 86 LYS CB . 17483 1 612 . 1 1 86 86 LYS N N 15 120.225 0.000 . 1 . . . . 86 LYS N . 17483 1 613 . 1 1 87 87 SER H H 1 8.199 0.000 . 1 . . . . 87 SER H . 17483 1 614 . 1 1 87 87 SER HA H 1 4.381 0.000 . 1 . . . . 87 SER HA . 17483 1 615 . 1 1 87 87 SER HB2 H 1 3.859 0.000 . 2 . . . . 87 SER HB2 . 17483 1 616 . 1 1 87 87 SER HB3 H 1 3.831 0.000 . 2 . . . . 87 SER HB3 . 17483 1 617 . 1 1 87 87 SER C C 13 174.506 0.000 . 1 . . . . 87 SER C . 17483 1 618 . 1 1 87 87 SER CA C 13 58.392 0.000 . 1 . . . . 87 SER CA . 17483 1 619 . 1 1 87 87 SER CB C 13 63.733 0.000 . 1 . . . . 87 SER CB . 17483 1 620 . 1 1 87 87 SER N N 15 116.523 0.000 . 1 . . . . 87 SER N . 17483 1 621 . 1 1 88 88 LYS H H 1 8.297 0.000 . 1 . . . . 88 LYS H . 17483 1 622 . 1 1 88 88 LYS HA H 1 4.311 0.000 . 1 . . . . 88 LYS HA . 17483 1 623 . 1 1 88 88 LYS HB2 H 1 1.839 0.000 . 2 . . . . 88 LYS HB2 . 17483 1 624 . 1 1 88 88 LYS HB3 H 1 1.726 0.000 . 2 . . . . 88 LYS HB3 . 17483 1 625 . 1 1 88 88 LYS C C 13 176.514 0.000 . 1 . . . . 88 LYS C . 17483 1 626 . 1 1 88 88 LYS CA C 13 56.307 0.000 . 1 . . . . 88 LYS CA . 17483 1 627 . 1 1 88 88 LYS CB C 13 32.800 0.000 . 1 . . . . 88 LYS CB . 17483 1 628 . 1 1 88 88 LYS N N 15 123.176 0.000 . 1 . . . . 88 LYS N . 17483 1 629 . 1 1 89 89 LEU H H 1 8.164 0.000 . 1 . . . . 89 LEU H . 17483 1 630 . 1 1 89 89 LEU HA H 1 4.274 0.000 . 1 . . . . 89 LEU HA . 17483 1 631 . 1 1 89 89 LEU HB2 H 1 1.608 0.000 . 2 . . . . 89 LEU HB2 . 17483 1 632 . 1 1 89 89 LEU HB3 H 1 1.545 0.000 . 2 . . . . 89 LEU HB3 . 17483 1 633 . 1 1 89 89 LEU C C 13 177.161 0.000 . 1 . . . . 89 LEU C . 17483 1 634 . 1 1 89 89 LEU CA C 13 55.200 0.000 . 1 . . . . 89 LEU CA . 17483 1 635 . 1 1 89 89 LEU CB C 13 42.148 0.000 . 1 . . . . 89 LEU CB . 17483 1 636 . 1 1 89 89 LEU N N 15 122.736 0.000 . 1 . . . . 89 LEU N . 17483 1 637 . 1 1 90 90 ASN H H 1 8.324 0.000 . 1 . . . . 90 ASN H . 17483 1 638 . 1 1 90 90 ASN HA H 1 4.646 0.000 . 1 . . . . 90 ASN HA . 17483 1 639 . 1 1 90 90 ASN HB2 H 1 2.815 0.000 . 2 . . . . 90 ASN HB2 . 17483 1 640 . 1 1 90 90 ASN HB3 H 1 2.713 0.000 . 2 . . . . 90 ASN HB3 . 17483 1 641 . 1 1 90 90 ASN C C 13 174.859 0.000 . 1 . . . . 90 ASN C . 17483 1 642 . 1 1 90 90 ASN CA C 13 53.200 0.000 . 1 . . . . 90 ASN CA . 17483 1 643 . 1 1 90 90 ASN CB C 13 38.800 0.000 . 1 . . . . 90 ASN CB . 17483 1 644 . 1 1 90 90 ASN N N 15 118.867 0.000 . 1 . . . . 90 ASN N . 17483 1 645 . 1 1 91 91 ASP H H 1 8.182 0.000 . 1 . . . . 91 ASP H . 17483 1 646 . 1 1 91 91 ASP HA H 1 4.532 0.000 . 1 . . . . 91 ASP HA . 17483 1 647 . 1 1 91 91 ASP HB2 H 1 2.640 0.000 . 2 . . . . 91 ASP HB2 . 17483 1 648 . 1 1 91 91 ASP HB3 H 1 2.628 0.000 . 2 . . . . 91 ASP HB3 . 17483 1 649 . 1 1 91 91 ASP C C 13 175.868 0.000 . 1 . . . . 91 ASP C . 17483 1 650 . 1 1 91 91 ASP CA C 13 54.376 0.000 . 1 . . . . 91 ASP CA . 17483 1 651 . 1 1 91 91 ASP CB C 13 41.033 0.000 . 1 . . . . 91 ASP CB . 17483 1 652 . 1 1 91 91 ASP N N 15 120.756 0.000 . 1 . . . . 91 ASP N . 17483 1 653 . 1 1 92 92 ALA H H 1 8.091 0.000 . 1 . . . . 92 ALA H . 17483 1 654 . 1 1 92 92 ALA HA H 1 4.302 0.000 . 1 . . . . 92 ALA HA . 17483 1 655 . 1 1 92 92 ALA HB1 H 1 1.364 0.000 . 1 . . . . 92 ALA QB . 17483 1 656 . 1 1 92 92 ALA HB2 H 1 1.364 0.000 . 1 . . . . 92 ALA QB . 17483 1 657 . 1 1 92 92 ALA HB3 H 1 1.364 0.000 . 1 . . . . 92 ALA QB . 17483 1 658 . 1 1 92 92 ALA C C 13 177.652 0.000 . 1 . . . . 92 ALA C . 17483 1 659 . 1 1 92 92 ALA CA C 13 52.501 0.000 . 1 . . . . 92 ALA CA . 17483 1 660 . 1 1 92 92 ALA CB C 13 19.100 0.000 . 1 . . . . 92 ALA CB . 17483 1 661 . 1 1 92 92 ALA N N 15 123.794 0.000 . 1 . . . . 92 ALA N . 17483 1 662 . 1 1 93 93 VAL H H 1 7.980 0.000 . 1 . . . . 93 VAL H . 17483 1 663 . 1 1 93 93 VAL HA H 1 4.006 0.000 . 1 . . . . 93 VAL HA . 17483 1 664 . 1 1 93 93 VAL HB H 1 1.991 0.000 . 1 . . . . 93 VAL HB . 17483 1 665 . 1 1 93 93 VAL C C 13 176.006 0.000 . 1 . . . . 93 VAL C . 17483 1 666 . 1 1 93 93 VAL CA C 13 62.319 0.000 . 1 . . . . 93 VAL CA . 17483 1 667 . 1 1 93 93 VAL CB C 13 32.675 0.000 . 1 . . . . 93 VAL CB . 17483 1 668 . 1 1 93 93 VAL N N 15 119.263 0.000 . 1 . . . . 93 VAL N . 17483 1 669 . 1 1 94 94 GLU H H 1 8.347 0.000 . 1 . . . . 94 GLU H . 17483 1 670 . 1 1 94 94 GLU HA H 1 4.229 0.000 . 1 . . . . 94 GLU HA . 17483 1 671 . 1 1 94 94 GLU HB2 H 1 1.913 0.000 . 2 . . . . 94 GLU HB2 . 17483 1 672 . 1 1 94 94 GLU HB3 H 1 1.844 0.000 . 2 . . . . 94 GLU HB3 . 17483 1 673 . 1 1 94 94 GLU C C 13 175.937 0.000 . 1 . . . . 94 GLU C . 17483 1 674 . 1 1 94 94 GLU CA C 13 56.355 0.000 . 1 . . . . 94 GLU CA . 17483 1 675 . 1 1 94 94 GLU CB C 13 30.300 0.000 . 1 . . . . 94 GLU CB . 17483 1 676 . 1 1 94 94 GLU N N 15 123.985 0.000 . 1 . . . . 94 GLU N . 17483 1 677 . 1 1 95 95 TYR H H 1 8.227 0.000 . 1 . . . . 95 TYR H . 17483 1 678 . 1 1 95 95 TYR HA H 1 4.537 0.000 . 1 . . . . 95 TYR HA . 17483 1 679 . 1 1 95 95 TYR HB2 H 1 2.958 0.000 . 2 . . . . 95 TYR HB2 . 17483 1 680 . 1 1 95 95 TYR HB3 H 1 2.938 0.000 . 2 . . . . 95 TYR HB3 . 17483 1 681 . 1 1 95 95 TYR C C 13 175.652 0.000 . 1 . . . . 95 TYR C . 17483 1 682 . 1 1 95 95 TYR CA C 13 57.980 0.000 . 1 . . . . 95 TYR CA . 17483 1 683 . 1 1 95 95 TYR CB C 13 38.700 0.000 . 1 . . . . 95 TYR CB . 17483 1 684 . 1 1 95 95 TYR N N 15 122.116 0.000 . 1 . . . . 95 TYR N . 17483 1 685 . 1 1 96 96 VAL H H 1 7.996 0.000 . 1 . . . . 96 VAL H . 17483 1 686 . 1 1 96 96 VAL HA H 1 4.031 0.000 . 1 . . . . 96 VAL HA . 17483 1 687 . 1 1 96 96 VAL HB H 1 1.977 0.000 . 1 . . . . 96 VAL HB . 17483 1 688 . 1 1 96 96 VAL C C 13 175.980 0.000 . 1 . . . . 96 VAL C . 17483 1 689 . 1 1 96 96 VAL CA C 13 62.143 0.000 . 1 . . . . 96 VAL CA . 17483 1 690 . 1 1 96 96 VAL CB C 13 32.900 0.000 . 1 . . . . 96 VAL CB . 17483 1 691 . 1 1 96 96 VAL N N 15 122.848 0.000 . 1 . . . . 96 VAL N . 17483 1 692 . 1 1 97 97 SER H H 1 8.324 0.000 . 1 . . . . 97 SER H . 17483 1 693 . 1 1 97 97 SER HA H 1 4.321 0.000 . 1 . . . . 97 SER HA . 17483 1 694 . 1 1 97 97 SER HB2 H 1 3.871 0.000 . 2 . . . . 97 SER HB2 . 17483 1 695 . 1 1 97 97 SER HB3 H 1 3.856 0.000 . 2 . . . . 97 SER HB3 . 17483 1 696 . 1 1 97 97 SER C C 13 175.118 0.000 . 1 . . . . 97 SER C . 17483 1 697 . 1 1 97 97 SER CA C 13 58.547 0.000 . 1 . . . . 97 SER CA . 17483 1 698 . 1 1 97 97 SER CB C 13 63.596 0.000 . 1 . . . . 97 SER CB . 17483 1 699 . 1 1 97 97 SER N N 15 119.242 0.000 . 1 . . . . 97 SER N . 17483 1 700 . 1 1 98 98 GLY H H 1 8.363 0.000 . 1 . . . . 98 GLY H . 17483 1 701 . 1 1 98 98 GLY HA2 H 1 3.914 0.000 . 2 . . . . 98 GLY HA2 . 17483 1 702 . 1 1 98 98 GLY HA3 H 1 3.958 0.000 . 2 . . . . 98 GLY HA3 . 17483 1 703 . 1 1 98 98 GLY C C 13 174.153 0.000 . 1 . . . . 98 GLY C . 17483 1 704 . 1 1 98 98 GLY CA C 13 45.200 0.000 . 1 . . . . 98 GLY CA . 17483 1 705 . 1 1 98 98 GLY N N 15 110.810 0.000 . 1 . . . . 98 GLY N . 17483 1 706 . 1 1 99 99 ARG H H 1 8.141 0.000 . 1 . . . . 99 ARG H . 17483 1 707 . 1 1 99 99 ARG HA H 1 4.332 0.000 . 1 . . . . 99 ARG HA . 17483 1 708 . 1 1 99 99 ARG HB2 H 1 1.763 0.000 . 2 . . . . 99 ARG HB2 . 17483 1 709 . 1 1 99 99 ARG HB3 H 1 1.686 0.000 . 2 . . . . 99 ARG HB3 . 17483 1 710 . 1 1 99 99 ARG C C 13 176.239 0.000 . 1 . . . . 99 ARG C . 17483 1 711 . 1 1 99 99 ARG CA C 13 56.214 0.000 . 1 . . . . 99 ARG CA . 17483 1 712 . 1 1 99 99 ARG CB C 13 32.986 0.000 . 1 . . . . 99 ARG CB . 17483 1 713 . 1 1 99 99 ARG N N 15 120.756 0.000 . 1 . . . . 99 ARG N . 17483 1 714 . 1 1 100 100 VAL H H 1 8.212 0.000 . 1 . . . . 100 VAL H . 17483 1 715 . 1 1 100 100 VAL HA H 1 4.043 0.000 . 1 . . . . 100 VAL HA . 17483 1 716 . 1 1 100 100 VAL HB H 1 1.971 0.000 . 1 . . . . 100 VAL HB . 17483 1 717 . 1 1 100 100 VAL C C 13 175.945 0.000 . 1 . . . . 100 VAL C . 17483 1 718 . 1 1 100 100 VAL CA C 13 62.192 0.000 . 1 . . . . 100 VAL CA . 17483 1 719 . 1 1 100 100 VAL CB C 13 32.600 0.000 . 1 . . . . 100 VAL CB . 17483 1 720 . 1 1 100 100 VAL N N 15 121.753 0.000 . 1 . . . . 100 VAL N . 17483 1 721 . 1 1 101 101 HIS H H 1 8.564 0.000 . 1 . . . . 101 HIS H . 17483 1 722 . 1 1 101 101 HIS HA H 1 4.600 0.000 . 1 . . . . 101 HIS HA . 17483 1 723 . 1 1 101 101 HIS HB2 H 1 3.137 0.000 . 2 . . . . 101 HIS HB2 . 17483 1 724 . 1 1 101 101 HIS HB3 H 1 3.074 0.000 . 2 . . . . 101 HIS HB3 . 17483 1 725 . 1 1 101 101 HIS C C 13 175.558 0.000 . 1 . . . . 101 HIS C . 17483 1 726 . 1 1 101 101 HIS CA C 13 56.183 0.000 . 1 . . . . 101 HIS CA . 17483 1 727 . 1 1 101 101 HIS CB C 13 30.352 0.000 . 1 . . . . 101 HIS CB . 17483 1 728 . 1 1 101 101 HIS N N 15 122.894 0.000 . 1 . . . . 101 HIS N . 17483 1 729 . 1 1 102 102 GLY H H 1 8.427 0.000 . 1 . . . . 102 GLY H . 17483 1 730 . 1 1 102 102 GLY HA2 H 1 3.903 0.000 . 2 . . . . 102 GLY HA2 . 17483 1 731 . 1 1 102 102 GLY HA3 H 1 3.922 0.000 . 2 . . . . 102 GLY HA3 . 17483 1 732 . 1 1 102 102 GLY C C 13 173.937 0.000 . 1 . . . . 102 GLY C . 17483 1 733 . 1 1 102 102 GLY CA C 13 45.195 0.000 . 1 . . . . 102 GLY CA . 17483 1 734 . 1 1 102 102 GLY N N 15 111.012 0.000 . 1 . . . . 102 GLY N . 17483 1 735 . 1 1 103 103 GLU H H 1 8.359 0.000 . 1 . . . . 103 GLU H . 17483 1 736 . 1 1 103 103 GLU HA H 1 4.278 0.000 . 1 . . . . 103 GLU HA . 17483 1 737 . 1 1 103 103 GLU HB2 H 1 2.039 0.000 . 2 . . . . 103 GLU HB2 . 17483 1 738 . 1 1 103 103 GLU HB3 H 1 1.890 0.000 . 2 . . . . 103 GLU HB3 . 17483 1 739 . 1 1 103 103 GLU C C 13 176.420 0.000 . 1 . . . . 103 GLU C . 17483 1 740 . 1 1 103 103 GLU CA C 13 56.200 0.000 . 1 . . . . 103 GLU CA . 17483 1 741 . 1 1 103 103 GLU CB C 13 30.364 0.000 . 1 . . . . 103 GLU CB . 17483 1 742 . 1 1 103 103 GLU N N 15 120.756 0.000 . 1 . . . . 103 GLU N . 17483 1 743 . 1 1 104 104 GLU H H 1 8.491 0.000 . 1 . . . . 104 GLU H . 17483 1 744 . 1 1 104 104 GLU HA H 1 4.232 0.000 . 1 . . . . 104 GLU HA . 17483 1 745 . 1 1 104 104 GLU HB2 H 1 1.981 0.000 . 2 . . . . 104 GLU HB2 . 17483 1 746 . 1 1 104 104 GLU HB3 H 1 1.882 0.000 . 2 . . . . 104 GLU HB3 . 17483 1 747 . 1 1 104 104 GLU C C 13 175.816 0.000 . 1 . . . . 104 GLU C . 17483 1 748 . 1 1 104 104 GLU CA C 13 56.200 0.000 . 1 . . . . 104 GLU CA . 17483 1 749 . 1 1 104 104 GLU CB C 13 30.317 0.000 . 1 . . . . 104 GLU CB . 17483 1 750 . 1 1 104 104 GLU N N 15 121.983 0.000 . 1 . . . . 104 GLU N . 17483 1 751 . 1 1 105 105 ASP H H 1 8.415 0.000 . 1 . . . . 105 ASP H . 17483 1 752 . 1 1 105 105 ASP CA C 13 51.533 0.000 . 1 . . . . 105 ASP CA . 17483 1 753 . 1 1 105 105 ASP CB C 13 41.300 0.000 . 1 . . . . 105 ASP CB . 17483 1 754 . 1 1 105 105 ASP N N 15 122.877 0.000 . 1 . . . . 105 ASP N . 17483 1 755 . 1 1 106 106 PRO HA H 1 4.450 0.000 . 1 . . . . 106 PRO HA . 17483 1 756 . 1 1 106 106 PRO HB2 H 1 2.292 0.000 . 2 . . . . 106 PRO HB2 . 17483 1 757 . 1 1 106 106 PRO HB3 H 1 2.008 0.000 . 2 . . . . 106 PRO HB3 . 17483 1 758 . 1 1 106 106 PRO C C 13 177.531 0.000 . 1 . . . . 106 PRO C . 17483 1 759 . 1 1 106 106 PRO CA C 13 63.600 0.000 . 1 . . . . 106 PRO CA . 17483 1 760 . 1 1 106 106 PRO CB C 13 32.100 0.000 . 1 . . . . 106 PRO CB . 17483 1 761 . 1 1 107 107 THR H H 1 8.336 0.000 . 1 . . . . 107 THR H . 17483 1 762 . 1 1 107 107 THR HA H 1 4.240 0.000 . 1 . . . . 107 THR HA . 17483 1 763 . 1 1 107 107 THR HB H 1 4.222 0.000 . 1 . . . . 107 THR HB . 17483 1 764 . 1 1 107 107 THR C C 13 174.747 0.000 . 1 . . . . 107 THR C . 17483 1 765 . 1 1 107 107 THR CA C 13 62.600 0.000 . 1 . . . . 107 THR CA . 17483 1 766 . 1 1 107 107 THR CB C 13 69.300 0.000 . 1 . . . . 107 THR CB . 17483 1 767 . 1 1 107 107 THR N N 15 112.406 0.000 . 1 . . . . 107 THR N . 17483 1 768 . 1 1 108 108 LYS H H 1 7.788 0.000 . 1 . . . . 108 LYS H . 17483 1 769 . 1 1 108 108 LYS HA H 1 4.328 0.000 . 1 . . . . 108 LYS HA . 17483 1 770 . 1 1 108 108 LYS HB2 H 1 1.872 0.000 . 2 . . . . 108 LYS HB2 . 17483 1 771 . 1 1 108 108 LYS HB3 H 1 1.728 0.000 . 2 . . . . 108 LYS HB3 . 17483 1 772 . 1 1 108 108 LYS C C 13 175.308 0.000 . 1 . . . . 108 LYS C . 17483 1 773 . 1 1 108 108 LYS CA C 13 55.993 0.000 . 1 . . . . 108 LYS CA . 17483 1 774 . 1 1 108 108 LYS CB C 13 32.771 0.000 . 1 . . . . 108 LYS CB . 17483 1 775 . 1 1 108 108 LYS N N 15 123.732 0.000 . 1 . . . . 108 LYS N . 17483 1 776 . 1 1 109 109 LYS H H 1 7.789 0.000 . 1 . . . . 109 LYS H . 17483 1 777 . 1 1 109 109 LYS CA C 13 57.518 0.000 . 1 . . . . 109 LYS CA . 17483 1 778 . 1 1 109 109 LYS CB C 13 33.619 0.000 . 1 . . . . 109 LYS CB . 17483 1 779 . 1 1 109 109 LYS N N 15 128.317 0.000 . 1 . . . . 109 LYS N . 17483 1 stop_ save_