data_17948 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17948 _Entry.Title ; NMR structure of Hsp12 in the presence of DPC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-20 _Entry.Accession_date 2011-09-20 _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 'NMR, 20 STRUCTURES' _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 . . . 17948 2 John Markley . . . 17948 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 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Structural Genomics' . 17948 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dpc . 17948 hsp12 . 17948 nmr . 17948 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17948 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 223 17948 '15N chemical shifts' 102 17948 '1H chemical shifts' 537 17948 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 . . 2014-02-26 2011-09-20 update BMRB 'update entry citation' 17948 1 . . 2011-10-28 2011-09-20 original author 'original release' 17948 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJL 'BMRB Entry Tracking System' 17948 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17948 _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. . 17948 1 2 Marco Tonelli . . . 17948 1 3 Darius Chow . C. . 17948 1 4 Ronnie Frederick . O. . 17948 1 5 William Westler . M. . 17948 1 6 John Markley . L. . 17948 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17948 _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 . . . 17948 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hsp12 _Entity.Sf_category entity _Entity.Sf_framecode Hsp12 _Entity.Entry_ID 17948 _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 A _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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11712.830 _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 . . . . 17948 1 2 no BMRB 17483 . hsp12 . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 3 no BMRB 18523 . HSP12_SDS . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 4 no PDB 2L9Q . "Structural Characterization Of Small Heat Shock Protein (Hsp12)" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 5 no PDB 2LJL . "Nmr Structure Of Hsp12 In The Presence Of Dpc" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 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 . . . . 17948 1 7 no DBJ BAA09224 . "12KD heat shock protein [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 8 no DBJ BAA14033 . "Sc-Hsp12p [Saccharomyces pastorianus]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 9 no DBJ GAA23069 . "K7_Hsp12p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 10 no EMBL CAA39306 . "hsp12 [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 11 no EMBL CAA86349 . "hsp12, glp1 [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 12 no EMBL CAY79436 . "Hsp12p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 109 99.08 99.08 1.52e-68 . . . . 17948 1 13 no GB AAA34647 . "15 kD glucose and lipid regulated protein [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 14 no GB AAL06077 . "12 kDa heat shock protein [Saccharomyces cerevisiae]" . . . . . 100.00 109 99.08 99.08 1.52e-68 . . . . 17948 1 15 no GB AAS56790 . "YFL014W [Saccharomyces cerevisiae]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 1 16 no GB AHY75775 . "Hsp12p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 109 98.17 98.17 2.02e-67 . . . . 17948 1 17 no GB AJP38487 . "Hsp12p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 109 99.08 99.08 1.52e-68 . . . . 17948 1 18 no REF NP_116640 . "lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 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 . . . . 17948 1 20 no TPG DAA12425 . "TPA: lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 109 100.00 100.00 1.02e-69 . . . . 17948 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 . 17948 1 2 . SER . 17948 1 3 . ASP . 17948 1 4 . ALA . 17948 1 5 . GLY . 17948 1 6 . ARG . 17948 1 7 . LYS . 17948 1 8 . GLY . 17948 1 9 . PHE . 17948 1 10 . GLY . 17948 1 11 . GLU . 17948 1 12 . LYS . 17948 1 13 . ALA . 17948 1 14 . SER . 17948 1 15 . GLU . 17948 1 16 . ALA . 17948 1 17 . LEU . 17948 1 18 . LYS . 17948 1 19 . PRO . 17948 1 20 . ASP . 17948 1 21 . SER . 17948 1 22 . GLN . 17948 1 23 . LYS . 17948 1 24 . SER . 17948 1 25 . TYR . 17948 1 26 . ALA . 17948 1 27 . GLU . 17948 1 28 . GLN . 17948 1 29 . GLY . 17948 1 30 . LYS . 17948 1 31 . GLU . 17948 1 32 . TYR . 17948 1 33 . ILE . 17948 1 34 . THR . 17948 1 35 . ASP . 17948 1 36 . LYS . 17948 1 37 . ALA . 17948 1 38 . ASP . 17948 1 39 . LYS . 17948 1 40 . VAL . 17948 1 41 . ALA . 17948 1 42 . GLY . 17948 1 43 . LYS . 17948 1 44 . VAL . 17948 1 45 . GLN . 17948 1 46 . PRO . 17948 1 47 . GLU . 17948 1 48 . ASP . 17948 1 49 . ASN . 17948 1 50 . LYS . 17948 1 51 . GLY . 17948 1 52 . VAL . 17948 1 53 . PHE . 17948 1 54 . GLN . 17948 1 55 . GLY . 17948 1 56 . VAL . 17948 1 57 . HIS . 17948 1 58 . ASP . 17948 1 59 . SER . 17948 1 60 . ALA . 17948 1 61 . GLU . 17948 1 62 . LYS . 17948 1 63 . GLY . 17948 1 64 . LYS . 17948 1 65 . ASP . 17948 1 66 . ASN . 17948 1 67 . ALA . 17948 1 68 . GLU . 17948 1 69 . GLY . 17948 1 70 . GLN . 17948 1 71 . GLY . 17948 1 72 . GLU . 17948 1 73 . SER . 17948 1 74 . LEU . 17948 1 75 . ALA . 17948 1 76 . ASP . 17948 1 77 . GLN . 17948 1 78 . ALA . 17948 1 79 . ARG . 17948 1 80 . ASP . 17948 1 81 . TYR . 17948 1 82 . MET . 17948 1 83 . GLY . 17948 1 84 . ALA . 17948 1 85 . ALA . 17948 1 86 . LYS . 17948 1 87 . SER . 17948 1 88 . LYS . 17948 1 89 . LEU . 17948 1 90 . ASN . 17948 1 91 . ASP . 17948 1 92 . ALA . 17948 1 93 . VAL . 17948 1 94 . GLU . 17948 1 95 . TYR . 17948 1 96 . VAL . 17948 1 97 . SER . 17948 1 98 . GLY . 17948 1 99 . ARG . 17948 1 100 . VAL . 17948 1 101 . HIS . 17948 1 102 . GLY . 17948 1 103 . GLU . 17948 1 104 . GLU . 17948 1 105 . ASP . 17948 1 106 . PRO . 17948 1 107 . THR . 17948 1 108 . LYS . 17948 1 109 . LYS . 17948 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 17948 1 . SER 2 2 17948 1 . ASP 3 3 17948 1 . ALA 4 4 17948 1 . GLY 5 5 17948 1 . ARG 6 6 17948 1 . LYS 7 7 17948 1 . GLY 8 8 17948 1 . PHE 9 9 17948 1 . GLY 10 10 17948 1 . GLU 11 11 17948 1 . LYS 12 12 17948 1 . ALA 13 13 17948 1 . SER 14 14 17948 1 . GLU 15 15 17948 1 . ALA 16 16 17948 1 . LEU 17 17 17948 1 . LYS 18 18 17948 1 . PRO 19 19 17948 1 . ASP 20 20 17948 1 . SER 21 21 17948 1 . GLN 22 22 17948 1 . LYS 23 23 17948 1 . SER 24 24 17948 1 . TYR 25 25 17948 1 . ALA 26 26 17948 1 . GLU 27 27 17948 1 . GLN 28 28 17948 1 . GLY 29 29 17948 1 . LYS 30 30 17948 1 . GLU 31 31 17948 1 . TYR 32 32 17948 1 . ILE 33 33 17948 1 . THR 34 34 17948 1 . ASP 35 35 17948 1 . LYS 36 36 17948 1 . ALA 37 37 17948 1 . ASP 38 38 17948 1 . LYS 39 39 17948 1 . VAL 40 40 17948 1 . ALA 41 41 17948 1 . GLY 42 42 17948 1 . LYS 43 43 17948 1 . VAL 44 44 17948 1 . GLN 45 45 17948 1 . PRO 46 46 17948 1 . GLU 47 47 17948 1 . ASP 48 48 17948 1 . ASN 49 49 17948 1 . LYS 50 50 17948 1 . GLY 51 51 17948 1 . VAL 52 52 17948 1 . PHE 53 53 17948 1 . GLN 54 54 17948 1 . GLY 55 55 17948 1 . VAL 56 56 17948 1 . HIS 57 57 17948 1 . ASP 58 58 17948 1 . SER 59 59 17948 1 . ALA 60 60 17948 1 . GLU 61 61 17948 1 . LYS 62 62 17948 1 . GLY 63 63 17948 1 . LYS 64 64 17948 1 . ASP 65 65 17948 1 . ASN 66 66 17948 1 . ALA 67 67 17948 1 . GLU 68 68 17948 1 . GLY 69 69 17948 1 . GLN 70 70 17948 1 . GLY 71 71 17948 1 . GLU 72 72 17948 1 . SER 73 73 17948 1 . LEU 74 74 17948 1 . ALA 75 75 17948 1 . ASP 76 76 17948 1 . GLN 77 77 17948 1 . ALA 78 78 17948 1 . ARG 79 79 17948 1 . ASP 80 80 17948 1 . TYR 81 81 17948 1 . MET 82 82 17948 1 . GLY 83 83 17948 1 . ALA 84 84 17948 1 . ALA 85 85 17948 1 . LYS 86 86 17948 1 . SER 87 87 17948 1 . LYS 88 88 17948 1 . LEU 89 89 17948 1 . ASN 90 90 17948 1 . ASP 91 91 17948 1 . ALA 92 92 17948 1 . VAL 93 93 17948 1 . GLU 94 94 17948 1 . TYR 95 95 17948 1 . VAL 96 96 17948 1 . SER 97 97 17948 1 . GLY 98 98 17948 1 . ARG 99 99 17948 1 . VAL 100 100 17948 1 . HIS 101 101 17948 1 . GLY 102 102 17948 1 . GLU 103 103 17948 1 . GLU 104 104 17948 1 . ASP 105 105 17948 1 . PRO 106 106 17948 1 . THR 107 107 17948 1 . LYS 108 108 17948 1 . LYS 109 109 17948 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 17948 _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' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17948 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 17948 _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 . . . . . . 17948 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17948 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 mM DPC added' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Hsp12 '[U-13C; U-15N]' . . 1 $Hsp12 . . 0.7 . . mM . . . . 17948 1 2 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 17948 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17948 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17948 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 17948 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17948 1 pH 6.9 . pH 17948 1 pressure 1 . atm 17948 1 temperature 273 . K 17948 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17948 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17948 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17948 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17948 _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' . . 17948 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17948 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17948 _Software.ID 3 _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' . . 17948 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17948 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17948 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17948 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17948 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17948 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17948 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17948 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 17948 _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 17948 _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 . . . 17948 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 17948 _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 . . . . . . . . . . . . . . . . 17948 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17948 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17948 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17948 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17948 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17948 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17948 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 17948 _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 . . . . . . . . . 17948 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17948 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17948 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 17948 _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' . . . 17948 1 2 '3D HNCACB' . . . 17948 1 3 '3D CBCA(CO)NH' . . . 17948 1 4 '3D HBHA(CO)NH' . . . 17948 1 5 '3D 1H-13C NOESY aliphatic' . . . 17948 1 6 '3D 1H-15N NOESY' . . . 17948 1 7 '2D 1H-13C HSQC' . . . 17948 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 H H 1 8.330 0.000 . 1 . . . A 3 ASP H . 17948 1 2 . 1 1 3 3 ASP HA H 1 4.610 0.000 . 1 . . . A 3 ASP HA . 17948 1 3 . 1 1 4 4 ALA H H 1 8.180 0.001 . 1 . . . A 4 ALA H . 17948 1 4 . 1 1 4 4 ALA HA H 1 4.260 0.000 . 1 . . . A 4 ALA HA . 17948 1 5 . 1 1 4 4 ALA HB1 H 1 1.403 0.000 . 1 . . . A 4 ALA HB1 . 17948 1 6 . 1 1 4 4 ALA HB2 H 1 1.403 0.000 . 1 . . . A 4 ALA HB2 . 17948 1 7 . 1 1 4 4 ALA HB3 H 1 1.403 0.000 . 1 . . . A 4 ALA HB3 . 17948 1 8 . 1 1 4 4 ALA CA C 13 53.000 0.000 . 1 . . . A 4 ALA CA . 17948 1 9 . 1 1 4 4 ALA CB C 13 18.965 0.000 . 1 . . . A 4 ALA CB . 17948 1 10 . 1 1 4 4 ALA N N 15 124.218 0.000 . 1 . . . A 4 ALA N . 17948 1 11 . 1 1 5 5 GLY H H 1 8.344 0.000 . 1 . . . A 5 GLY H . 17948 1 12 . 1 1 5 5 GLY HA2 H 1 3.930 0.000 . 2 . . . A 5 GLY HA2 . 17948 1 13 . 1 1 5 5 GLY HA3 H 1 3.950 0.000 . 2 . . . A 5 GLY HA3 . 17948 1 14 . 1 1 5 5 GLY CA C 13 45.100 0.000 . 1 . . . A 5 GLY CA . 17948 1 15 . 1 1 5 5 GLY N N 15 107.349 0.000 . 1 . . . A 5 GLY N . 17948 1 16 . 1 1 6 6 ARG H H 1 7.971 0.000 . 1 . . . A 6 ARG H . 17948 1 17 . 1 1 6 6 ARG HA H 1 4.270 0.000 . 1 . . . A 6 ARG HA . 17948 1 18 . 1 1 6 6 ARG N N 15 119.351 0.000 . 1 . . . A 6 ARG N . 17948 1 19 . 1 1 7 7 LYS H H 1 8.034 0.003 . 1 . . . A 7 LYS H . 17948 1 20 . 1 1 7 7 LYS HA H 1 4.280 0.000 . 1 . . . A 7 LYS HA . 17948 1 21 . 1 1 7 7 LYS HB2 H 1 1.790 0.000 . 2 . . . A 7 LYS HB2 . 17948 1 22 . 1 1 7 7 LYS HB3 H 1 1.780 0.000 . 2 . . . A 7 LYS HB3 . 17948 1 23 . 1 1 7 7 LYS CA C 13 56.400 0.000 . 1 . . . A 7 LYS CA . 17948 1 24 . 1 1 7 7 LYS CB C 13 32.900 0.000 . 1 . . . A 7 LYS CB . 17948 1 25 . 1 1 7 7 LYS N N 15 122.700 0.000 . 1 . . . A 7 LYS N . 17948 1 26 . 1 1 8 8 GLY H H 1 8.340 0.000 . 1 . . . A 8 GLY H . 17948 1 27 . 1 1 8 8 GLY HA2 H 1 3.930 0.000 . 2 . . . A 8 GLY HA2 . 17948 1 28 . 1 1 8 8 GLY HA3 H 1 3.950 0.000 . 2 . . . A 8 GLY HA3 . 17948 1 29 . 1 1 9 9 PHE H H 1 8.093 0.000 . 1 . . . A 9 PHE H . 17948 1 30 . 1 1 9 9 PHE HA H 1 4.620 0.000 . 1 . . . A 9 PHE HA . 17948 1 31 . 1 1 9 9 PHE HB2 H 1 2.990 0.000 . 2 . . . A 9 PHE HB2 . 17948 1 32 . 1 1 9 9 PHE HB3 H 1 2.970 0.000 . 2 . . . A 9 PHE HB3 . 17948 1 33 . 1 1 9 9 PHE CA C 13 56.000 0.000 . 1 . . . A 9 PHE CA . 17948 1 34 . 1 1 9 9 PHE CB C 13 39.950 0.000 . 1 . . . A 9 PHE CB . 17948 1 35 . 1 1 9 9 PHE N N 15 122.017 0.000 . 1 . . . A 9 PHE N . 17948 1 36 . 1 1 10 10 GLY H H 1 7.996 0.008 . 1 . . . A 10 GLY H . 17948 1 37 . 1 1 10 10 GLY HA2 H 1 3.836 0.000 . 2 . . . A 10 GLY HA2 . 17948 1 38 . 1 1 10 10 GLY HA3 H 1 3.950 0.000 . 2 . . . A 10 GLY HA3 . 17948 1 39 . 1 1 10 10 GLY CA C 13 45.554 0.000 . 1 . . . A 10 GLY CA . 17948 1 40 . 1 1 10 10 GLY N N 15 120.389 0.000 . 1 . . . A 10 GLY N . 17948 1 41 . 1 1 11 11 GLU H H 1 8.168 0.001 . 1 . . . A 11 GLU H . 17948 1 42 . 1 1 11 11 GLU HA H 1 4.260 0.000 . 1 . . . A 11 GLU HA . 17948 1 43 . 1 1 11 11 GLU HB2 H 1 1.966 0.000 . 2 . . . A 11 GLU HB2 . 17948 1 44 . 1 1 11 11 GLU HB3 H 1 2.040 0.000 . 2 . . . A 11 GLU HB3 . 17948 1 45 . 1 1 11 11 GLU CA C 13 57.061 0.000 . 1 . . . A 11 GLU CA . 17948 1 46 . 1 1 11 11 GLU CB C 13 30.200 0.000 . 1 . . . A 11 GLU CB . 17948 1 47 . 1 1 11 11 GLU N N 15 120.847 0.000 . 1 . . . A 11 GLU N . 17948 1 48 . 1 1 12 12 LYS H H 1 8.273 0.000 . 1 . . . A 12 LYS H . 17948 1 49 . 1 1 12 12 LYS HA H 1 4.280 0.000 . 1 . . . A 12 LYS HA . 17948 1 50 . 1 1 12 12 LYS HB2 H 1 1.777 0.000 . 2 . . . A 12 LYS HB2 . 17948 1 51 . 1 1 12 12 LYS HB3 H 1 1.833 0.000 . 2 . . . A 12 LYS HB3 . 17948 1 52 . 1 1 12 12 LYS CA C 13 56.552 0.000 . 1 . . . A 12 LYS CA . 17948 1 53 . 1 1 12 12 LYS CB C 13 32.800 0.000 . 1 . . . A 12 LYS CB . 17948 1 54 . 1 1 12 12 LYS N N 15 121.524 0.000 . 1 . . . A 12 LYS N . 17948 1 55 . 1 1 13 13 ALA H H 1 8.288 0.000 . 1 . . . A 13 ALA H . 17948 1 56 . 1 1 13 13 ALA HA H 1 4.260 0.000 . 1 . . . A 13 ALA HA . 17948 1 57 . 1 1 13 13 ALA HB1 H 1 1.388 0.000 . 1 . . . A 13 ALA HB1 . 17948 1 58 . 1 1 13 13 ALA HB2 H 1 1.388 0.000 . 1 . . . A 13 ALA HB2 . 17948 1 59 . 1 1 13 13 ALA HB3 H 1 1.388 0.000 . 1 . . . A 13 ALA HB3 . 17948 1 60 . 1 1 13 13 ALA CA C 13 53.056 0.000 . 1 . . . A 13 ALA CA . 17948 1 61 . 1 1 13 13 ALA CB C 13 18.900 0.000 . 1 . . . A 13 ALA CB . 17948 1 62 . 1 1 13 13 ALA N N 15 124.765 0.000 . 1 . . . A 13 ALA N . 17948 1 63 . 1 1 14 14 SER H H 1 8.145 0.000 . 1 . . . A 14 SER H . 17948 1 64 . 1 1 14 14 SER HA H 1 4.342 0.000 . 1 . . . A 14 SER HA . 17948 1 65 . 1 1 14 14 SER HB2 H 1 3.911 0.000 . 2 . . . A 14 SER HB2 . 17948 1 66 . 1 1 14 14 SER HB3 H 1 3.892 0.000 . 2 . . . A 14 SER HB3 . 17948 1 67 . 1 1 14 14 SER CA C 13 58.918 0.000 . 1 . . . A 14 SER CA . 17948 1 68 . 1 1 14 14 SER CB C 13 63.539 0.000 . 1 . . . A 14 SER CB . 17948 1 69 . 1 1 14 14 SER N N 15 114.047 0.000 . 1 . . . A 14 SER N . 17948 1 70 . 1 1 15 15 GLU H H 1 8.223 0.000 . 1 . . . A 15 GLU H . 17948 1 71 . 1 1 15 15 GLU HA H 1 4.260 0.000 . 1 . . . A 15 GLU HA . 17948 1 72 . 1 1 15 15 GLU HB2 H 1 1.961 0.000 . 2 . . . A 15 GLU HB2 . 17948 1 73 . 1 1 15 15 GLU HB3 H 1 2.080 0.000 . 2 . . . A 15 GLU HB3 . 17948 1 74 . 1 1 15 15 GLU CA C 13 48.017 0.000 . 1 . . . A 15 GLU CA . 17948 1 75 . 1 1 15 15 GLU CB C 13 30.341 0.000 . 1 . . . A 15 GLU CB . 17948 1 76 . 1 1 15 15 GLU N N 15 122.145 0.000 . 1 . . . A 15 GLU N . 17948 1 77 . 1 1 16 16 ALA H H 1 8.033 0.000 . 1 . . . A 16 ALA H . 17948 1 78 . 1 1 16 16 ALA HA H 1 4.284 0.000 . 1 . . . A 16 ALA HA . 17948 1 79 . 1 1 16 16 ALA HB1 H 1 1.388 0.001 . 1 . . . A 16 ALA HB1 . 17948 1 80 . 1 1 16 16 ALA HB2 H 1 1.388 0.001 . 1 . . . A 16 ALA HB2 . 17948 1 81 . 1 1 16 16 ALA HB3 H 1 1.388 0.001 . 1 . . . A 16 ALA HB3 . 17948 1 82 . 1 1 16 16 ALA CA C 13 52.500 0.000 . 1 . . . A 16 ALA CA . 17948 1 83 . 1 1 16 16 ALA CB C 13 19.200 0.000 . 1 . . . A 16 ALA CB . 17948 1 84 . 1 1 16 16 ALA N N 15 123.491 0.000 . 1 . . . A 16 ALA N . 17948 1 85 . 1 1 17 17 LEU H H 1 7.901 0.002 . 1 . . . A 17 LEU H . 17948 1 86 . 1 1 17 17 LEU HA H 1 4.334 0.007 . 1 . . . A 17 LEU HA . 17948 1 87 . 1 1 17 17 LEU HB2 H 1 1.649 0.010 . 2 . . . A 17 LEU HB2 . 17948 1 88 . 1 1 17 17 LEU HB3 H 1 1.583 0.000 . 2 . . . A 17 LEU HB3 . 17948 1 89 . 1 1 17 17 LEU CA C 13 54.900 0.000 . 1 . . . A 17 LEU CA . 17948 1 90 . 1 1 17 17 LEU CB C 13 42.300 0.000 . 1 . . . A 17 LEU CB . 17948 1 91 . 1 1 17 17 LEU N N 15 120.066 0.000 . 1 . . . A 17 LEU N . 17948 1 92 . 1 1 18 18 LYS H H 1 8.081 0.004 . 1 . . . A 18 LYS H . 17948 1 93 . 1 1 18 18 LYS HA H 1 4.280 0.000 . 1 . . . A 18 LYS HA . 17948 1 94 . 1 1 18 18 LYS HB2 H 1 1.790 0.000 . 2 . . . A 18 LYS HB2 . 17948 1 95 . 1 1 18 18 LYS HB3 H 1 1.780 0.000 . 2 . . . A 18 LYS HB3 . 17948 1 96 . 1 1 18 18 LYS CA C 13 54.000 0.000 . 1 . . . A 18 LYS CA . 17948 1 97 . 1 1 18 18 LYS CB C 13 32.637 0.000 . 1 . . . A 18 LYS CB . 17948 1 98 . 1 1 18 18 LYS N N 15 122.658 0.000 . 1 . . . A 18 LYS N . 17948 1 99 . 1 1 19 19 PRO HA H 1 4.427 0.000 . 1 . . . A 19 PRO HA . 17948 1 100 . 1 1 19 19 PRO HB2 H 1 1.948 0.000 . 2 . . . A 19 PRO HB2 . 17948 1 101 . 1 1 19 19 PRO HB3 H 1 2.299 0.000 . 2 . . . A 19 PRO HB3 . 17948 1 102 . 1 1 19 19 PRO CA C 13 63.300 0.000 . 1 . . . A 19 PRO CA . 17948 1 103 . 1 1 19 19 PRO CB C 13 31.900 0.000 . 1 . . . A 19 PRO CB . 17948 1 104 . 1 1 20 20 ASP H H 1 8.398 0.004 . 1 . . . A 20 ASP H . 17948 1 105 . 1 1 20 20 ASP HA H 1 4.571 0.000 . 1 . . . A 20 ASP HA . 17948 1 106 . 1 1 20 20 ASP HB2 H 1 2.674 0.000 . 2 . . . A 20 ASP HB2 . 17948 1 107 . 1 1 20 20 ASP HB3 H 1 2.700 0.000 . 2 . . . A 20 ASP HB3 . 17948 1 108 . 1 1 20 20 ASP CA C 13 54.500 0.000 . 1 . . . A 20 ASP CA . 17948 1 109 . 1 1 20 20 ASP CB C 13 40.900 0.000 . 1 . . . A 20 ASP CB . 17948 1 110 . 1 1 20 20 ASP N N 15 119.912 0.000 . 1 . . . A 20 ASP N . 17948 1 111 . 1 1 21 21 SER H H 1 8.113 0.001 . 1 . . . A 21 SER H . 17948 1 112 . 1 1 21 21 SER HA H 1 4.513 0.000 . 1 . . . A 21 SER HA . 17948 1 113 . 1 1 21 21 SER HB2 H 1 3.923 0.000 . 2 . . . A 21 SER HB2 . 17948 1 114 . 1 1 21 21 SER HB3 H 1 3.916 0.000 . 2 . . . A 21 SER HB3 . 17948 1 115 . 1 1 21 21 SER CA C 13 58.726 0.000 . 1 . . . A 21 SER CA . 17948 1 116 . 1 1 21 21 SER CB C 13 63.709 0.000 . 1 . . . A 21 SER CB . 17948 1 117 . 1 1 21 21 SER N N 15 115.552 0.000 . 1 . . . A 21 SER N . 17948 1 118 . 1 1 22 22 GLN H H 1 8.224 0.000 . 1 . . . A 22 GLN H . 17948 1 119 . 1 1 22 22 GLN HA H 1 4.280 0.000 . 1 . . . A 22 GLN HA . 17948 1 120 . 1 1 22 22 GLN HB2 H 1 2.050 0.000 . 2 . . . A 22 GLN HB2 . 17948 1 121 . 1 1 22 22 GLN HB3 H 1 2.040 0.000 . 2 . . . A 22 GLN HB3 . 17948 1 122 . 1 1 22 22 GLN HE21 H 1 7.170 0.000 . 2 . . . A 22 GLN HE21 . 17948 1 123 . 1 1 22 22 GLN HE22 H 1 7.070 0.000 . 2 . . . A 22 GLN HE22 . 17948 1 124 . 1 1 22 22 GLN N N 15 119.920 0.000 . 1 . . . A 22 GLN N . 17948 1 125 . 1 1 23 23 LYS H H 1 8.415 0.000 . 1 . . . A 23 LYS H . 17948 1 126 . 1 1 23 23 LYS HA H 1 4.280 0.000 . 1 . . . A 23 LYS HA . 17948 1 127 . 1 1 23 23 LYS HB2 H 1 1.790 0.000 . 2 . . . A 23 LYS HB2 . 17948 1 128 . 1 1 23 23 LYS HB3 H 1 1.780 0.000 . 2 . . . A 23 LYS HB3 . 17948 1 129 . 1 1 23 23 LYS HD2 H 1 1.610 0.000 . 1 . . . A 23 LYS HD2 . 17948 1 130 . 1 1 23 23 LYS HD3 H 1 1.610 0.000 . 1 . . . A 23 LYS HD3 . 17948 1 131 . 1 1 23 23 LYS CA C 13 56.173 0.000 . 1 . . . A 23 LYS CA . 17948 1 132 . 1 1 23 23 LYS CB C 13 30.593 0.000 . 1 . . . A 23 LYS CB . 17948 1 133 . 1 1 23 23 LYS N N 15 121.734 0.000 . 1 . . . A 23 LYS N . 17948 1 134 . 1 1 24 24 SER H H 1 7.595 0.000 . 1 . . . A 24 SER H . 17948 1 135 . 1 1 24 24 SER HA H 1 4.510 0.000 . 1 . . . A 24 SER HA . 17948 1 136 . 1 1 24 24 SER HB2 H 1 3.880 0.000 . 2 . . . A 24 SER HB2 . 17948 1 137 . 1 1 24 24 SER HB3 H 1 3.870 0.000 . 2 . . . A 24 SER HB3 . 17948 1 138 . 1 1 24 24 SER CA C 13 57.341 0.000 . 1 . . . A 24 SER CA . 17948 1 139 . 1 1 24 24 SER CB C 13 63.800 0.000 . 1 . . . A 24 SER CB . 17948 1 140 . 1 1 24 24 SER N N 15 126.408 0.000 . 1 . . . A 24 SER N . 17948 1 141 . 1 1 25 25 TYR H H 1 8.370 0.000 . 1 . . . A 25 TYR H . 17948 1 142 . 1 1 25 25 TYR HA H 1 4.456 0.005 . 1 . . . A 25 TYR HA . 17948 1 143 . 1 1 25 25 TYR HB2 H 1 3.034 0.001 . 2 . . . A 25 TYR HB2 . 17948 1 144 . 1 1 25 25 TYR HB3 H 1 3.046 0.000 . 2 . . . A 25 TYR HB3 . 17948 1 145 . 1 1 25 25 TYR CA C 13 59.736 0.000 . 1 . . . A 25 TYR CA . 17948 1 146 . 1 1 25 25 TYR CB C 13 38.069 0.000 . 1 . . . A 25 TYR CB . 17948 1 147 . 1 1 25 25 TYR N N 15 120.790 0.000 . 1 . . . A 25 TYR N . 17948 1 148 . 1 1 26 26 ALA H H 1 8.405 0.000 . 1 . . . A 26 ALA H . 17948 1 149 . 1 1 26 26 ALA HA H 1 4.164 0.000 . 1 . . . A 26 ALA HA . 17948 1 150 . 1 1 26 26 ALA HB1 H 1 1.380 0.000 . 1 . . . A 26 ALA HB1 . 17948 1 151 . 1 1 26 26 ALA HB2 H 1 1.380 0.000 . 1 . . . A 26 ALA HB2 . 17948 1 152 . 1 1 26 26 ALA HB3 H 1 1.380 0.000 . 1 . . . A 26 ALA HB3 . 17948 1 153 . 1 1 26 26 ALA CA C 13 54.000 0.000 . 1 . . . A 26 ALA CA . 17948 1 154 . 1 1 26 26 ALA CB C 13 18.900 0.000 . 1 . . . A 26 ALA CB . 17948 1 155 . 1 1 26 26 ALA N N 15 122.684 0.000 . 1 . . . A 26 ALA N . 17948 1 156 . 1 1 27 27 GLU H H 1 7.988 0.006 . 1 . . . A 27 GLU H . 17948 1 157 . 1 1 27 27 GLU HA H 1 4.116 0.001 . 1 . . . A 27 GLU HA . 17948 1 158 . 1 1 27 27 GLU HB2 H 1 2.065 0.000 . 2 . . . A 27 GLU HB2 . 17948 1 159 . 1 1 27 27 GLU HB3 H 1 2.076 0.000 . 2 . . . A 27 GLU HB3 . 17948 1 160 . 1 1 27 27 GLU HG2 H 1 2.310 0.000 . 1 . . . A 27 GLU HG2 . 17948 1 161 . 1 1 27 27 GLU HG3 H 1 2.310 0.000 . 1 . . . A 27 GLU HG3 . 17948 1 162 . 1 1 27 27 GLU CA C 13 58.000 0.000 . 1 . . . A 27 GLU CA . 17948 1 163 . 1 1 27 27 GLU CB C 13 30.000 0.000 . 1 . . . A 27 GLU CB . 17948 1 164 . 1 1 27 27 GLU N N 15 118.504 0.000 . 1 . . . A 27 GLU N . 17948 1 165 . 1 1 28 28 GLN H H 1 8.282 0.001 . 1 . . . A 28 GLN H . 17948 1 166 . 1 1 28 28 GLN HA H 1 4.224 0.000 . 1 . . . A 28 GLN HA . 17948 1 167 . 1 1 28 28 GLN HB2 H 1 2.050 0.000 . 2 . . . A 28 GLN HB2 . 17948 1 168 . 1 1 28 28 GLN HB3 H 1 2.040 0.000 . 2 . . . A 28 GLN HB3 . 17948 1 169 . 1 1 28 28 GLN CA C 13 57.600 0.000 . 1 . . . A 28 GLN CA . 17948 1 170 . 1 1 28 28 GLN CB C 13 29.400 0.000 . 1 . . . A 28 GLN CB . 17948 1 171 . 1 1 28 28 GLN N N 15 119.735 0.000 . 1 . . . A 28 GLN N . 17948 1 172 . 1 1 29 29 GLY H H 1 8.645 0.000 . 1 . . . A 29 GLY H . 17948 1 173 . 1 1 29 29 GLY HA2 H 1 3.929 0.001 . 2 . . . A 29 GLY HA2 . 17948 1 174 . 1 1 29 29 GLY HA3 H 1 3.950 0.000 . 2 . . . A 29 GLY HA3 . 17948 1 175 . 1 1 29 29 GLY CA C 13 46.400 0.000 . 1 . . . A 29 GLY CA . 17948 1 176 . 1 1 29 29 GLY N N 15 108.734 0.000 . 1 . . . A 29 GLY N . 17948 1 177 . 1 1 30 30 LYS H H 1 8.140 0.001 . 1 . . . A 30 LYS H . 17948 1 178 . 1 1 30 30 LYS HA H 1 4.280 0.000 . 1 . . . A 30 LYS HA . 17948 1 179 . 1 1 30 30 LYS HB2 H 1 1.790 0.000 . 2 . . . A 30 LYS HB2 . 17948 1 180 . 1 1 30 30 LYS HB3 H 1 1.780 0.000 . 2 . . . A 30 LYS HB3 . 17948 1 181 . 1 1 30 30 LYS CA C 13 57.992 0.000 . 1 . . . A 30 LYS CA . 17948 1 182 . 1 1 30 30 LYS CB C 13 29.800 0.000 . 1 . . . A 30 LYS CB . 17948 1 183 . 1 1 30 30 LYS N N 15 120.800 0.000 . 1 . . . A 30 LYS N . 17948 1 184 . 1 1 31 31 GLU H H 1 8.039 0.002 . 1 . . . A 31 GLU H . 17948 1 185 . 1 1 31 31 GLU HA H 1 4.260 0.000 . 1 . . . A 31 GLU HA . 17948 1 186 . 1 1 31 31 GLU HB2 H 1 2.040 0.000 . 1 . . . A 31 GLU HB2 . 17948 1 187 . 1 1 31 31 GLU HB3 H 1 2.040 0.000 . 1 . . . A 31 GLU HB3 . 17948 1 188 . 1 1 31 31 GLU CA C 13 59.400 0.000 . 1 . . . A 31 GLU CA . 17948 1 189 . 1 1 31 31 GLU CB C 13 32.521 0.000 . 1 . . . A 31 GLU CB . 17948 1 190 . 1 1 31 31 GLU N N 15 119.994 0.000 . 1 . . . A 31 GLU N . 17948 1 191 . 1 1 32 32 TYR H H 1 7.994 0.000 . 1 . . . A 32 TYR H . 17948 1 192 . 1 1 32 32 TYR HA H 1 4.630 0.000 . 1 . . . A 32 TYR HA . 17948 1 193 . 1 1 32 32 TYR HB2 H 1 2.910 0.000 . 1 . . . A 32 TYR HB2 . 17948 1 194 . 1 1 32 32 TYR HB3 H 1 2.910 0.000 . 1 . . . A 32 TYR HB3 . 17948 1 195 . 1 1 32 32 TYR CA C 13 58.020 0.000 . 1 . . . A 32 TYR CA . 17948 1 196 . 1 1 32 32 TYR CB C 13 39.160 0.000 . 1 . . . A 32 TYR CB . 17948 1 197 . 1 1 32 32 TYR N N 15 119.254 0.000 . 1 . . . A 32 TYR N . 17948 1 198 . 1 1 33 33 ILE H H 1 8.260 0.000 . 1 . . . A 33 ILE H . 17948 1 199 . 1 1 33 33 ILE HA H 1 4.024 0.000 . 1 . . . A 33 ILE HA . 17948 1 200 . 1 1 33 33 ILE HB H 1 1.944 0.002 . 1 . . . A 33 ILE HB . 17948 1 201 . 1 1 33 33 ILE HG12 H 1 1.615 0.006 . 2 . . . A 33 ILE HG12 . 17948 1 202 . 1 1 33 33 ILE HG13 H 1 1.278 0.015 . 2 . . . A 33 ILE HG13 . 17948 1 203 . 1 1 33 33 ILE HG21 H 1 0.949 0.005 . 1 . . . A 33 ILE HG21 . 17948 1 204 . 1 1 33 33 ILE HG22 H 1 0.949 0.005 . 1 . . . A 33 ILE HG22 . 17948 1 205 . 1 1 33 33 ILE HG23 H 1 0.949 0.005 . 1 . . . A 33 ILE HG23 . 17948 1 206 . 1 1 33 33 ILE HD11 H 1 0.885 0.006 . 1 . . . A 33 ILE HD11 . 17948 1 207 . 1 1 33 33 ILE HD12 H 1 0.885 0.006 . 1 . . . A 33 ILE HD12 . 17948 1 208 . 1 1 33 33 ILE HD13 H 1 0.885 0.006 . 1 . . . A 33 ILE HD13 . 17948 1 209 . 1 1 33 33 ILE CA C 13 62.100 0.000 . 1 . . . A 33 ILE CA . 17948 1 210 . 1 1 33 33 ILE CB C 13 38.300 0.000 . 1 . . . A 33 ILE CB . 17948 1 211 . 1 1 33 33 ILE CG1 C 13 27.650 0.000 . 1 . . . A 33 ILE CG1 . 17948 1 212 . 1 1 33 33 ILE CG2 C 13 17.360 0.000 . 1 . . . A 33 ILE CG2 . 17948 1 213 . 1 1 33 33 ILE CD1 C 13 12.987 0.000 . 1 . . . A 33 ILE CD1 . 17948 1 214 . 1 1 33 33 ILE N N 15 121.600 0.000 . 1 . . . A 33 ILE N . 17948 1 215 . 1 1 34 34 THR H H 1 8.082 0.005 . 1 . . . A 34 THR H . 17948 1 216 . 1 1 34 34 THR HA H 1 4.480 0.000 . 1 . . . A 34 THR HA . 17948 1 217 . 1 1 34 34 THR HB H 1 4.170 0.000 . 1 . . . A 34 THR HB . 17948 1 218 . 1 1 34 34 THR HG21 H 1 1.160 0.000 . 1 . . . A 34 THR HG21 . 17948 1 219 . 1 1 34 34 THR HG22 H 1 1.160 0.000 . 1 . . . A 34 THR HG22 . 17948 1 220 . 1 1 34 34 THR HG23 H 1 1.160 0.000 . 1 . . . A 34 THR HG23 . 17948 1 221 . 1 1 34 34 THR CA C 13 63.600 0.000 . 1 . . . A 34 THR CA . 17948 1 222 . 1 1 34 34 THR CB C 13 69.300 0.000 . 1 . . . A 34 THR CB . 17948 1 223 . 1 1 34 34 THR CG2 C 13 21.440 0.000 . 1 . . . A 34 THR CG2 . 17948 1 224 . 1 1 34 34 THR N N 15 115.849 0.000 . 1 . . . A 34 THR N . 17948 1 225 . 1 1 35 35 ASP H H 1 8.102 0.005 . 1 . . . A 35 ASP H . 17948 1 226 . 1 1 35 35 ASP HA H 1 4.554 0.000 . 1 . . . A 35 ASP HA . 17948 1 227 . 1 1 35 35 ASP HB2 H 1 2.695 0.000 . 2 . . . A 35 ASP HB2 . 17948 1 228 . 1 1 35 35 ASP HB3 H 1 2.712 0.004 . 2 . . . A 35 ASP HB3 . 17948 1 229 . 1 1 35 35 ASP CA C 13 55.400 0.000 . 1 . . . A 35 ASP CA . 17948 1 230 . 1 1 35 35 ASP CB C 13 41.500 0.000 . 1 . . . A 35 ASP CB . 17948 1 231 . 1 1 35 35 ASP N N 15 122.190 0.000 . 1 . . . A 35 ASP N . 17948 1 232 . 1 1 36 36 LYS H H 1 7.983 0.005 . 1 . . . A 36 LYS H . 17948 1 233 . 1 1 36 36 LYS HA H 1 4.210 0.000 . 1 . . . A 36 LYS HA . 17948 1 234 . 1 1 36 36 LYS HB2 H 1 1.788 0.000 . 2 . . . A 36 LYS HB2 . 17948 1 235 . 1 1 36 36 LYS HB3 H 1 1.808 0.000 . 2 . . . A 36 LYS HB3 . 17948 1 236 . 1 1 36 36 LYS HG2 H 1 1.380 0.000 . 2 . . . A 36 LYS HG2 . 17948 1 237 . 1 1 36 36 LYS HG3 H 1 1.370 0.000 . 2 . . . A 36 LYS HG3 . 17948 1 238 . 1 1 36 36 LYS HD2 H 1 1.610 0.000 . 1 . . . A 36 LYS HD2 . 17948 1 239 . 1 1 36 36 LYS HD3 H 1 1.610 0.000 . 1 . . . A 36 LYS HD3 . 17948 1 240 . 1 1 36 36 LYS CA C 13 56.500 0.000 . 1 . . . A 36 LYS CA . 17948 1 241 . 1 1 36 36 LYS CB C 13 32.500 0.000 . 1 . . . A 36 LYS CB . 17948 1 242 . 1 1 36 36 LYS N N 15 119.451 0.000 . 1 . . . A 36 LYS N . 17948 1 243 . 1 1 37 37 ALA H H 1 8.241 0.006 . 1 . . . A 37 ALA H . 17948 1 244 . 1 1 37 37 ALA HA H 1 4.181 0.000 . 1 . . . A 37 ALA HA . 17948 1 245 . 1 1 37 37 ALA HB1 H 1 1.424 0.000 . 1 . . . A 37 ALA HB1 . 17948 1 246 . 1 1 37 37 ALA HB2 H 1 1.424 0.000 . 1 . . . A 37 ALA HB2 . 17948 1 247 . 1 1 37 37 ALA HB3 H 1 1.424 0.000 . 1 . . . A 37 ALA HB3 . 17948 1 248 . 1 1 37 37 ALA CA C 13 53.600 0.000 . 1 . . . A 37 ALA CA . 17948 1 249 . 1 1 37 37 ALA CB C 13 18.800 0.000 . 1 . . . A 37 ALA CB . 17948 1 250 . 1 1 37 37 ALA N N 15 123.038 0.000 . 1 . . . A 37 ALA N . 17948 1 251 . 1 1 38 38 ASP H H 1 8.144 0.004 . 1 . . . A 38 ASP H . 17948 1 252 . 1 1 38 38 ASP HA H 1 4.504 0.000 . 1 . . . A 38 ASP HA . 17948 1 253 . 1 1 38 38 ASP HB2 H 1 2.683 0.000 . 2 . . . A 38 ASP HB2 . 17948 1 254 . 1 1 38 38 ASP HB3 H 1 2.700 0.000 . 2 . . . A 38 ASP HB3 . 17948 1 255 . 1 1 38 38 ASP CA C 13 55.100 0.000 . 1 . . . A 38 ASP CA . 17948 1 256 . 1 1 38 38 ASP CB C 13 41.000 0.000 . 1 . . . A 38 ASP CB . 17948 1 257 . 1 1 38 38 ASP N N 15 118.323 0.000 . 1 . . . A 38 ASP N . 17948 1 258 . 1 1 39 39 LYS H H 1 7.960 0.004 . 1 . . . A 39 LYS H . 17948 1 259 . 1 1 39 39 LYS HA H 1 4.275 0.000 . 1 . . . A 39 LYS HA . 17948 1 260 . 1 1 39 39 LYS HB2 H 1 1.848 0.002 . 2 . . . A 39 LYS HB2 . 17948 1 261 . 1 1 39 39 LYS HB3 H 1 1.873 0.000 . 2 . . . A 39 LYS HB3 . 17948 1 262 . 1 1 39 39 LYS CA C 13 56.900 0.000 . 1 . . . A 39 LYS CA . 17948 1 263 . 1 1 39 39 LYS CB C 13 32.754 0.000 . 1 . . . A 39 LYS CB . 17948 1 264 . 1 1 39 39 LYS N N 15 120.011 0.000 . 1 . . . A 39 LYS N . 17948 1 265 . 1 1 40 40 VAL H H 1 7.948 0.006 . 1 . . . A 40 VAL H . 17948 1 266 . 1 1 40 40 VAL HA H 1 4.044 0.004 . 1 . . . A 40 VAL HA . 17948 1 267 . 1 1 40 40 VAL HB H 1 2.127 0.002 . 1 . . . A 40 VAL HB . 17948 1 268 . 1 1 40 40 VAL HG11 H 1 0.974 0.003 . 2 . . . A 40 VAL HG11 . 17948 1 269 . 1 1 40 40 VAL HG12 H 1 0.974 0.003 . 2 . . . A 40 VAL HG12 . 17948 1 270 . 1 1 40 40 VAL HG13 H 1 0.974 0.003 . 2 . . . A 40 VAL HG13 . 17948 1 271 . 1 1 40 40 VAL HG21 H 1 0.957 0.010 . 2 . . . A 40 VAL HG21 . 17948 1 272 . 1 1 40 40 VAL HG22 H 1 0.957 0.010 . 2 . . . A 40 VAL HG22 . 17948 1 273 . 1 1 40 40 VAL HG23 H 1 0.957 0.010 . 2 . . . A 40 VAL HG23 . 17948 1 274 . 1 1 40 40 VAL CA C 13 62.900 0.000 . 1 . . . A 40 VAL CA . 17948 1 275 . 1 1 40 40 VAL CB C 13 32.500 0.000 . 1 . . . A 40 VAL CB . 17948 1 276 . 1 1 40 40 VAL CG1 C 13 21.380 0.000 . 1 . . . A 40 VAL CG1 . 17948 1 277 . 1 1 40 40 VAL CG2 C 13 21.310 0.000 . 1 . . . A 40 VAL CG2 . 17948 1 278 . 1 1 40 40 VAL N N 15 119.113 0.000 . 1 . . . A 40 VAL N . 17948 1 279 . 1 1 41 41 ALA H H 1 8.168 0.005 . 1 . . . A 41 ALA H . 17948 1 280 . 1 1 41 41 ALA HA H 1 4.294 0.000 . 1 . . . A 41 ALA HA . 17948 1 281 . 1 1 41 41 ALA HB1 H 1 1.433 0.000 . 1 . . . A 41 ALA HB1 . 17948 1 282 . 1 1 41 41 ALA HB2 H 1 1.433 0.000 . 1 . . . A 41 ALA HB2 . 17948 1 283 . 1 1 41 41 ALA HB3 H 1 1.433 0.000 . 1 . . . A 41 ALA HB3 . 17948 1 284 . 1 1 41 41 ALA CA C 13 52.900 0.000 . 1 . . . A 41 ALA CA . 17948 1 285 . 1 1 41 41 ALA CB C 13 19.100 0.000 . 1 . . . A 41 ALA CB . 17948 1 286 . 1 1 41 41 ALA N N 15 125.220 0.000 . 1 . . . A 41 ALA N . 17948 1 287 . 1 1 42 42 GLY H H 1 8.130 0.000 . 1 . . . A 42 GLY H . 17948 1 288 . 1 1 42 42 GLY HA2 H 1 3.930 0.000 . 2 . . . A 42 GLY HA2 . 17948 1 289 . 1 1 42 42 GLY HA3 H 1 3.950 0.000 . 2 . . . A 42 GLY HA3 . 17948 1 290 . 1 1 42 42 GLY CA C 13 45.400 0.000 . 1 . . . A 42 GLY CA . 17948 1 291 . 1 1 42 42 GLY N N 15 107.007 0.000 . 1 . . . A 42 GLY N . 17948 1 292 . 1 1 43 43 LYS H H 1 8.253 0.000 . 1 . . . A 43 LYS H . 17948 1 293 . 1 1 43 43 LYS HA H 1 4.371 0.000 . 1 . . . A 43 LYS HA . 17948 1 294 . 1 1 43 43 LYS HB2 H 1 1.759 0.000 . 2 . . . A 43 LYS HB2 . 17948 1 295 . 1 1 43 43 LYS HB3 H 1 1.837 0.000 . 2 . . . A 43 LYS HB3 . 17948 1 296 . 1 1 43 43 LYS HG2 H 1 1.380 0.000 . 2 . . . A 43 LYS HG2 . 17948 1 297 . 1 1 43 43 LYS HG3 H 1 1.370 0.000 . 2 . . . A 43 LYS HG3 . 17948 1 298 . 1 1 43 43 LYS HD2 H 1 1.610 0.000 . 1 . . . A 43 LYS HD2 . 17948 1 299 . 1 1 43 43 LYS HD3 H 1 1.610 0.000 . 1 . . . A 43 LYS HD3 . 17948 1 300 . 1 1 43 43 LYS CA C 13 56.000 0.000 . 1 . . . A 43 LYS CA . 17948 1 301 . 1 1 43 43 LYS CB C 13 33.000 0.000 . 1 . . . A 43 LYS CB . 17948 1 302 . 1 1 43 43 LYS N N 15 122.310 0.000 . 1 . . . A 43 LYS N . 17948 1 303 . 1 1 44 44 VAL H H 1 8.026 0.003 . 1 . . . A 44 VAL H . 17948 1 304 . 1 1 44 44 VAL HA H 1 4.140 0.004 . 1 . . . A 44 VAL HA . 17948 1 305 . 1 1 44 44 VAL HB H 1 2.067 0.001 . 1 . . . A 44 VAL HB . 17948 1 306 . 1 1 44 44 VAL HG11 H 1 0.919 0.002 . 2 . . . A 44 VAL HG11 . 17948 1 307 . 1 1 44 44 VAL HG12 H 1 0.919 0.002 . 2 . . . A 44 VAL HG12 . 17948 1 308 . 1 1 44 44 VAL HG13 H 1 0.919 0.002 . 2 . . . A 44 VAL HG13 . 17948 1 309 . 1 1 44 44 VAL HG21 H 1 0.900 0.011 . 2 . . . A 44 VAL HG21 . 17948 1 310 . 1 1 44 44 VAL HG22 H 1 0.900 0.011 . 2 . . . A 44 VAL HG22 . 17948 1 311 . 1 1 44 44 VAL HG23 H 1 0.900 0.011 . 2 . . . A 44 VAL HG23 . 17948 1 312 . 1 1 44 44 VAL CA C 13 62.000 0.000 . 1 . . . A 44 VAL CA . 17948 1 313 . 1 1 44 44 VAL CB C 13 32.700 0.000 . 1 . . . A 44 VAL CB . 17948 1 314 . 1 1 44 44 VAL CG1 C 13 21.380 0.000 . 1 . . . A 44 VAL CG1 . 17948 1 315 . 1 1 44 44 VAL CG2 C 13 21.310 0.000 . 1 . . . A 44 VAL CG2 . 17948 1 316 . 1 1 44 44 VAL N N 15 120.734 0.000 . 1 . . . A 44 VAL N . 17948 1 317 . 1 1 45 45 GLN H H 1 8.385 0.006 . 1 . . . A 45 GLN H . 17948 1 318 . 1 1 45 45 GLN HA H 1 4.280 0.000 . 1 . . . A 45 GLN HA . 17948 1 319 . 1 1 45 45 GLN HB2 H 1 2.050 0.000 . 2 . . . A 45 GLN HB2 . 17948 1 320 . 1 1 45 45 GLN HB3 H 1 2.040 0.000 . 2 . . . A 45 GLN HB3 . 17948 1 321 . 1 1 45 45 GLN CA C 13 53.400 0.000 . 1 . . . A 45 GLN CA . 17948 1 322 . 1 1 45 45 GLN CB C 13 29.000 0.000 . 1 . . . A 45 GLN CB . 17948 1 323 . 1 1 45 45 GLN N N 15 124.893 0.000 . 1 . . . A 45 GLN N . 17948 1 324 . 1 1 46 46 PRO HA H 1 4.171 0.000 . 1 . . . A 46 PRO HA . 17948 1 325 . 1 1 46 46 PRO HB2 H 1 2.079 0.000 . 2 . . . A 46 PRO HB2 . 17948 1 326 . 1 1 46 46 PRO HB3 H 1 2.085 0.000 . 2 . . . A 46 PRO HB3 . 17948 1 327 . 1 1 46 46 PRO CA C 13 61.800 0.000 . 1 . . . A 46 PRO CA . 17948 1 328 . 1 1 46 46 PRO CB C 13 32.929 0.000 . 1 . . . A 46 PRO CB . 17948 1 329 . 1 1 47 47 GLU H H 1 8.039 0.006 . 1 . . . A 47 GLU H . 17948 1 330 . 1 1 47 47 GLU HA H 1 4.260 0.000 . 1 . . . A 47 GLU HA . 17948 1 331 . 1 1 47 47 GLU HB2 H 1 2.040 0.000 . 1 . . . A 47 GLU HB2 . 17948 1 332 . 1 1 47 47 GLU HB3 H 1 2.040 0.000 . 1 . . . A 47 GLU HB3 . 17948 1 333 . 1 1 47 47 GLU CA C 13 56.200 0.000 . 1 . . . A 47 GLU CA . 17948 1 334 . 1 1 47 47 GLU CB C 13 30.700 0.000 . 1 . . . A 47 GLU CB . 17948 1 335 . 1 1 47 47 GLU N N 15 123.526 0.000 . 1 . . . A 47 GLU N . 17948 1 336 . 1 1 48 48 ASP H H 1 8.402 0.004 . 1 . . . A 48 ASP H . 17948 1 337 . 1 1 48 48 ASP HA H 1 4.598 0.000 . 1 . . . A 48 ASP HA . 17948 1 338 . 1 1 48 48 ASP HB2 H 1 2.656 0.000 . 2 . . . A 48 ASP HB2 . 17948 1 339 . 1 1 48 48 ASP HB3 H 1 2.700 0.000 . 2 . . . A 48 ASP HB3 . 17948 1 340 . 1 1 48 48 ASP CA C 13 56.330 0.000 . 1 . . . A 48 ASP CA . 17948 1 341 . 1 1 48 48 ASP CB C 13 30.700 0.000 . 1 . . . A 48 ASP CB . 17948 1 342 . 1 1 48 48 ASP N N 15 122.131 0.000 . 1 . . . A 48 ASP N . 17948 1 343 . 1 1 49 49 ASN H H 1 8.338 0.000 . 1 . . . A 49 ASN H . 17948 1 344 . 1 1 49 49 ASN HA H 1 4.700 0.000 . 1 . . . A 49 ASN HA . 17948 1 345 . 1 1 49 49 ASN HB2 H 1 2.803 0.000 . 2 . . . A 49 ASN HB2 . 17948 1 346 . 1 1 49 49 ASN HB3 H 1 2.821 0.000 . 2 . . . A 49 ASN HB3 . 17948 1 347 . 1 1 49 49 ASN CA C 13 51.600 0.000 . 1 . . . A 49 ASN CA . 17948 1 348 . 1 1 49 49 ASN CB C 13 41.573 0.000 . 1 . . . A 49 ASN CB . 17948 1 349 . 1 1 49 49 ASN N N 15 121.154 0.000 . 1 . . . A 49 ASN N . 17948 1 350 . 1 1 50 50 LYS H H 1 8.247 0.000 . 1 . . . A 50 LYS H . 17948 1 351 . 1 1 50 50 LYS HA H 1 4.299 0.000 . 1 . . . A 50 LYS HA . 17948 1 352 . 1 1 50 50 LYS HB2 H 1 1.811 0.000 . 2 . . . A 50 LYS HB2 . 17948 1 353 . 1 1 50 50 LYS HB3 H 1 1.887 0.000 . 2 . . . A 50 LYS HB3 . 17948 1 354 . 1 1 50 50 LYS N N 15 120.660 0.000 . 1 . . . A 50 LYS N . 17948 1 355 . 1 1 51 51 GLY H H 1 8.320 0.000 . 1 . . . A 51 GLY H . 17948 1 356 . 1 1 51 51 GLY HA2 H 1 3.930 0.000 . 2 . . . A 51 GLY HA2 . 17948 1 357 . 1 1 51 51 GLY HA3 H 1 3.950 0.000 . 2 . . . A 51 GLY HA3 . 17948 1 358 . 1 1 51 51 GLY CA C 13 45.400 0.000 . 1 . . . A 51 GLY CA . 17948 1 359 . 1 1 51 51 GLY N N 15 108.915 0.000 . 1 . . . A 51 GLY N . 17948 1 360 . 1 1 52 52 VAL H H 1 7.836 0.003 . 1 . . . A 52 VAL H . 17948 1 361 . 1 1 52 52 VAL HA H 1 4.046 0.000 . 1 . . . A 52 VAL HA . 17948 1 362 . 1 1 52 52 VAL HB H 1 1.984 0.000 . 1 . . . A 52 VAL HB . 17948 1 363 . 1 1 52 52 VAL HG11 H 1 0.840 0.000 . 2 . . . A 52 VAL HG11 . 17948 1 364 . 1 1 52 52 VAL HG12 H 1 0.840 0.000 . 2 . . . A 52 VAL HG12 . 17948 1 365 . 1 1 52 52 VAL HG13 H 1 0.840 0.000 . 2 . . . A 52 VAL HG13 . 17948 1 366 . 1 1 52 52 VAL HG21 H 1 0.830 0.000 . 2 . . . A 52 VAL HG21 . 17948 1 367 . 1 1 52 52 VAL HG22 H 1 0.830 0.000 . 2 . . . A 52 VAL HG22 . 17948 1 368 . 1 1 52 52 VAL HG23 H 1 0.830 0.000 . 2 . . . A 52 VAL HG23 . 17948 1 369 . 1 1 52 52 VAL CA C 13 62.400 0.000 . 1 . . . A 52 VAL CA . 17948 1 370 . 1 1 52 52 VAL CB C 13 32.500 0.000 . 1 . . . A 52 VAL CB . 17948 1 371 . 1 1 52 52 VAL CG1 C 13 21.380 0.000 . 1 . . . A 52 VAL CG1 . 17948 1 372 . 1 1 52 52 VAL CG2 C 13 21.310 0.000 . 1 . . . A 52 VAL CG2 . 17948 1 373 . 1 1 52 52 VAL N N 15 118.906 0.000 . 1 . . . A 52 VAL N . 17948 1 374 . 1 1 53 53 PHE H H 1 8.284 0.002 . 1 . . . A 53 PHE H . 17948 1 375 . 1 1 53 53 PHE HA H 1 4.648 0.000 . 1 . . . A 53 PHE HA . 17948 1 376 . 1 1 53 53 PHE HB2 H 1 3.037 0.000 . 2 . . . A 53 PHE HB2 . 17948 1 377 . 1 1 53 53 PHE HB3 H 1 3.140 0.000 . 2 . . . A 53 PHE HB3 . 17948 1 378 . 1 1 53 53 PHE CA C 13 57.600 0.000 . 1 . . . A 53 PHE CA . 17948 1 379 . 1 1 53 53 PHE CB C 13 39.400 0.000 . 1 . . . A 53 PHE CB . 17948 1 380 . 1 1 53 53 PHE N N 15 123.002 0.000 . 1 . . . A 53 PHE N . 17948 1 381 . 1 1 54 54 GLN H H 1 8.223 0.001 . 1 . . . A 54 GLN H . 17948 1 382 . 1 1 54 54 GLN HA H 1 4.313 0.000 . 1 . . . A 54 GLN HA . 17948 1 383 . 1 1 54 54 GLN HB2 H 1 1.936 0.000 . 2 . . . A 54 GLN HB2 . 17948 1 384 . 1 1 54 54 GLN HB3 H 1 2.092 0.000 . 2 . . . A 54 GLN HB3 . 17948 1 385 . 1 1 54 54 GLN HG2 H 1 2.320 0.000 . 1 . . . A 54 GLN HG2 . 17948 1 386 . 1 1 54 54 GLN HG3 H 1 2.320 0.000 . 1 . . . A 54 GLN HG3 . 17948 1 387 . 1 1 54 54 GLN CA C 13 55.800 0.000 . 1 . . . A 54 GLN CA . 17948 1 388 . 1 1 54 54 GLN CB C 13 29.500 0.000 . 1 . . . A 54 GLN CB . 17948 1 389 . 1 1 54 54 GLN N N 15 122.278 0.000 . 1 . . . A 54 GLN N . 17948 1 390 . 1 1 55 55 GLY H H 1 7.900 0.000 . 1 . . . A 55 GLY H . 17948 1 391 . 1 1 55 55 GLY HA2 H 1 3.887 0.000 . 2 . . . A 55 GLY HA2 . 17948 1 392 . 1 1 55 55 GLY HA3 H 1 3.933 0.000 . 2 . . . A 55 GLY HA3 . 17948 1 393 . 1 1 55 55 GLY CA C 13 45.200 0.000 . 1 . . . A 55 GLY CA . 17948 1 394 . 1 1 55 55 GLY N N 15 109.285 0.000 . 1 . . . A 55 GLY N . 17948 1 395 . 1 1 56 56 VAL H H 1 7.898 0.000 . 1 . . . A 56 VAL H . 17948 1 396 . 1 1 57 57 HIS H H 1 8.529 0.000 . 1 . . . A 57 HIS H . 17948 1 397 . 1 1 57 57 HIS HA H 1 4.249 0.000 . 1 . . . A 57 HIS HA . 17948 1 398 . 1 1 57 57 HIS HB2 H 1 3.120 0.000 . 2 . . . A 57 HIS HB2 . 17948 1 399 . 1 1 57 57 HIS HB3 H 1 3.110 0.000 . 2 . . . A 57 HIS HB3 . 17948 1 400 . 1 1 57 57 HIS N N 15 120.411 0.000 . 1 . . . A 57 HIS N . 17948 1 401 . 1 1 58 58 ASP H H 1 8.234 0.000 . 1 . . . A 58 ASP H . 17948 1 402 . 1 1 58 58 ASP HA H 1 4.610 0.000 . 1 . . . A 58 ASP HA . 17948 1 403 . 1 1 58 58 ASP HB2 H 1 2.636 0.000 . 2 . . . A 58 ASP HB2 . 17948 1 404 . 1 1 58 58 ASP HB3 H 1 2.670 0.000 . 2 . . . A 58 ASP HB3 . 17948 1 405 . 1 1 58 58 ASP N N 15 120.960 0.000 . 1 . . . A 58 ASP N . 17948 1 406 . 1 1 59 59 SER H H 1 8.248 0.000 . 1 . . . A 59 SER H . 17948 1 407 . 1 1 59 59 SER HA H 1 4.398 0.000 . 1 . . . A 59 SER HA . 17948 1 408 . 1 1 59 59 SER HB2 H 1 3.935 0.000 . 2 . . . A 59 SER HB2 . 17948 1 409 . 1 1 59 59 SER HB3 H 1 3.870 0.000 . 2 . . . A 59 SER HB3 . 17948 1 410 . 1 1 59 59 SER CA C 13 58.500 0.000 . 1 . . . A 59 SER CA . 17948 1 411 . 1 1 59 59 SER CB C 13 63.700 0.000 . 1 . . . A 59 SER CB . 17948 1 412 . 1 1 59 59 SER N N 15 116.391 0.000 . 1 . . . A 59 SER N . 17948 1 413 . 1 1 60 60 ALA H H 1 8.290 0.000 . 1 . . . A 60 ALA H . 17948 1 414 . 1 1 60 60 ALA HA H 1 4.308 0.000 . 1 . . . A 60 ALA HA . 17948 1 415 . 1 1 60 60 ALA HB1 H 1 1.404 0.000 . 1 . . . A 60 ALA HB1 . 17948 1 416 . 1 1 60 60 ALA HB2 H 1 1.404 0.000 . 1 . . . A 60 ALA HB2 . 17948 1 417 . 1 1 60 60 ALA HB3 H 1 1.404 0.000 . 1 . . . A 60 ALA HB3 . 17948 1 418 . 1 1 60 60 ALA CA C 13 52.800 0.000 . 1 . . . A 60 ALA CA . 17948 1 419 . 1 1 60 60 ALA CB C 13 19.161 0.000 . 1 . . . A 60 ALA CB . 17948 1 420 . 1 1 60 60 ALA N N 15 125.620 0.000 . 1 . . . A 60 ALA N . 17948 1 421 . 1 1 61 61 GLU H H 1 8.206 0.000 . 1 . . . A 61 GLU H . 17948 1 422 . 1 1 61 61 GLU HA H 1 4.251 0.000 . 1 . . . A 61 GLU HA . 17948 1 423 . 1 1 61 61 GLU HB2 H 1 1.950 0.000 . 2 . . . A 61 GLU HB2 . 17948 1 424 . 1 1 61 61 GLU HB3 H 1 2.054 0.000 . 2 . . . A 61 GLU HB3 . 17948 1 425 . 1 1 61 61 GLU CA C 13 56.600 0.000 . 1 . . . A 61 GLU CA . 17948 1 426 . 1 1 61 61 GLU CB C 13 30.100 0.000 . 1 . . . A 61 GLU CB . 17948 1 427 . 1 1 61 61 GLU N N 15 119.550 0.000 . 1 . . . A 61 GLU N . 17948 1 428 . 1 1 62 62 LYS H H 1 8.157 0.003 . 1 . . . A 62 LYS H . 17948 1 429 . 1 1 62 62 LYS HA H 1 4.300 0.008 . 1 . . . A 62 LYS HA . 17948 1 430 . 1 1 62 62 LYS HB2 H 1 1.790 0.000 . 2 . . . A 62 LYS HB2 . 17948 1 431 . 1 1 62 62 LYS HB3 H 1 1.866 0.000 . 2 . . . A 62 LYS HB3 . 17948 1 432 . 1 1 62 62 LYS CA C 13 56.800 0.000 . 1 . . . A 62 LYS CA . 17948 1 433 . 1 1 62 62 LYS CB C 13 32.900 0.000 . 1 . . . A 62 LYS CB . 17948 1 434 . 1 1 62 62 LYS N N 15 122.003 0.000 . 1 . . . A 62 LYS N . 17948 1 435 . 1 1 63 63 GLY H H 1 8.371 0.000 . 1 . . . A 63 GLY H . 17948 1 436 . 1 1 63 63 GLY HA2 H 1 3.945 0.000 . 2 . . . A 63 GLY HA2 . 17948 1 437 . 1 1 63 63 GLY HA3 H 1 3.991 0.000 . 2 . . . A 63 GLY HA3 . 17948 1 438 . 1 1 63 63 GLY CA C 13 45.300 0.000 . 1 . . . A 63 GLY CA . 17948 1 439 . 1 1 63 63 GLY N N 15 109.728 0.000 . 1 . . . A 63 GLY N . 17948 1 440 . 1 1 64 64 LYS H H 1 8.078 0.000 . 1 . . . A 64 LYS H . 17948 1 441 . 1 1 64 64 LYS HA H 1 4.340 0.000 . 1 . . . A 64 LYS HA . 17948 1 442 . 1 1 64 64 LYS HB2 H 1 1.753 0.000 . 2 . . . A 64 LYS HB2 . 17948 1 443 . 1 1 64 64 LYS HB3 H 1 1.849 0.000 . 2 . . . A 64 LYS HB3 . 17948 1 444 . 1 1 64 64 LYS CA C 13 56.200 0.000 . 1 . . . A 64 LYS CA . 17948 1 445 . 1 1 64 64 LYS CB C 13 33.000 0.000 . 1 . . . A 64 LYS CB . 17948 1 446 . 1 1 64 64 LYS N N 15 120.537 0.000 . 1 . . . A 64 LYS N . 17948 1 447 . 1 1 65 65 ASP H H 1 8.336 0.000 . 1 . . . A 65 ASP H . 17948 1 448 . 1 1 65 65 ASP HA H 1 4.590 0.000 . 1 . . . A 65 ASP HA . 17948 1 449 . 1 1 65 65 ASP HB2 H 1 2.641 0.000 . 2 . . . A 65 ASP HB2 . 17948 1 450 . 1 1 65 65 ASP HB3 H 1 2.700 0.000 . 2 . . . A 65 ASP HB3 . 17948 1 451 . 1 1 65 65 ASP CA C 13 54.300 0.000 . 1 . . . A 65 ASP CA . 17948 1 452 . 1 1 65 65 ASP CB C 13 41.200 0.000 . 1 . . . A 65 ASP CB . 17948 1 453 . 1 1 65 65 ASP N N 15 120.981 0.000 . 1 . . . A 65 ASP N . 17948 1 454 . 1 1 66 66 ASN H H 1 8.280 0.000 . 1 . . . A 66 ASN H . 17948 1 455 . 1 1 66 66 ASN HA H 1 4.691 0.000 . 1 . . . A 66 ASN HA . 17948 1 456 . 1 1 66 66 ASN HB2 H 1 2.756 0.000 . 2 . . . A 66 ASN HB2 . 17948 1 457 . 1 1 66 66 ASN HB3 H 1 2.836 0.000 . 2 . . . A 66 ASN HB3 . 17948 1 458 . 1 1 66 66 ASN CA C 13 53.200 0.000 . 1 . . . A 66 ASN CA . 17948 1 459 . 1 1 66 66 ASN CB C 13 39.000 0.000 . 1 . . . A 66 ASN CB . 17948 1 460 . 1 1 66 66 ASN N N 15 119.056 0.000 . 1 . . . A 66 ASN N . 17948 1 461 . 1 1 67 67 ALA H H 1 8.248 0.000 . 1 . . . A 67 ALA H . 17948 1 462 . 1 1 67 67 ALA HA H 1 4.313 0.000 . 1 . . . A 67 ALA HA . 17948 1 463 . 1 1 67 67 ALA HB1 H 1 1.400 0.000 . 1 . . . A 67 ALA HB1 . 17948 1 464 . 1 1 67 67 ALA HB2 H 1 1.400 0.000 . 1 . . . A 67 ALA HB2 . 17948 1 465 . 1 1 67 67 ALA HB3 H 1 1.400 0.000 . 1 . . . A 67 ALA HB3 . 17948 1 466 . 1 1 67 67 ALA CA C 13 52.724 0.000 . 1 . . . A 67 ALA CA . 17948 1 467 . 1 1 67 67 ALA CB C 13 19.171 0.000 . 1 . . . A 67 ALA CB . 17948 1 468 . 1 1 67 67 ALA N N 15 124.164 0.000 . 1 . . . A 67 ALA N . 17948 1 469 . 1 1 68 68 GLU H H 1 8.295 0.003 . 1 . . . A 68 GLU H . 17948 1 470 . 1 1 68 68 GLU HA H 1 4.282 0.000 . 1 . . . A 68 GLU HA . 17948 1 471 . 1 1 68 68 GLU HB2 H 1 1.985 0.000 . 2 . . . A 68 GLU HB2 . 17948 1 472 . 1 1 68 68 GLU HB3 H 1 2.081 0.000 . 2 . . . A 68 GLU HB3 . 17948 1 473 . 1 1 68 68 GLU HG2 H 1 2.310 0.000 . 1 . . . A 68 GLU HG2 . 17948 1 474 . 1 1 68 68 GLU HG3 H 1 2.310 0.000 . 1 . . . A 68 GLU HG3 . 17948 1 475 . 1 1 68 68 GLU CA C 13 56.812 0.000 . 1 . . . A 68 GLU CA . 17948 1 476 . 1 1 68 68 GLU CB C 13 30.126 0.000 . 1 . . . A 68 GLU CB . 17948 1 477 . 1 1 68 68 GLU N N 15 119.599 0.000 . 1 . . . A 68 GLU N . 17948 1 478 . 1 1 69 69 GLY H H 1 8.348 0.006 . 1 . . . A 69 GLY H . 17948 1 479 . 1 1 69 69 GLY HA2 H 1 3.966 0.000 . 2 . . . A 69 GLY HA2 . 17948 1 480 . 1 1 69 69 GLY HA3 H 1 3.988 0.000 . 2 . . . A 69 GLY HA3 . 17948 1 481 . 1 1 69 69 GLY CA C 13 45.440 0.000 . 1 . . . A 69 GLY CA . 17948 1 482 . 1 1 69 69 GLY N N 15 109.616 0.000 . 1 . . . A 69 GLY N . 17948 1 483 . 1 1 70 70 GLN H H 1 8.200 0.004 . 1 . . . A 70 GLN H . 17948 1 484 . 1 1 70 70 GLN HA H 1 4.388 0.000 . 1 . . . A 70 GLN HA . 17948 1 485 . 1 1 70 70 GLN HB2 H 1 2.015 0.000 . 2 . . . A 70 GLN HB2 . 17948 1 486 . 1 1 70 70 GLN HB3 H 1 2.175 0.000 . 2 . . . A 70 GLN HB3 . 17948 1 487 . 1 1 70 70 GLN CA C 13 55.860 0.000 . 1 . . . A 70 GLN CA . 17948 1 488 . 1 1 70 70 GLN CB C 13 29.500 0.000 . 1 . . . A 70 GLN CB . 17948 1 489 . 1 1 70 70 GLN N N 15 119.476 0.000 . 1 . . . A 70 GLN N . 17948 1 490 . 1 1 71 71 GLY H H 1 8.438 0.003 . 1 . . . A 71 GLY H . 17948 1 491 . 1 1 71 71 GLY HA2 H 1 3.978 0.004 . 2 . . . A 71 GLY HA2 . 17948 1 492 . 1 1 71 71 GLY HA3 H 1 4.005 0.000 . 2 . . . A 71 GLY HA3 . 17948 1 493 . 1 1 71 71 GLY CA C 13 45.360 0.000 . 1 . . . A 71 GLY CA . 17948 1 494 . 1 1 71 71 GLY N N 15 109.928 0.000 . 1 . . . A 71 GLY N . 17948 1 495 . 1 1 72 72 GLU H H 1 8.296 0.010 . 1 . . . A 72 GLU H . 17948 1 496 . 1 1 72 72 GLU HA H 1 4.398 0.000 . 1 . . . A 72 GLU HA . 17948 1 497 . 1 1 72 72 GLU HB2 H 1 1.948 0.000 . 2 . . . A 72 GLU HB2 . 17948 1 498 . 1 1 72 72 GLU HB3 H 1 2.093 0.000 . 2 . . . A 72 GLU HB3 . 17948 1 499 . 1 1 72 72 GLU HG2 H 1 2.310 0.000 . 1 . . . A 72 GLU HG2 . 17948 1 500 . 1 1 72 72 GLU HG3 H 1 2.310 0.000 . 1 . . . A 72 GLU HG3 . 17948 1 501 . 1 1 72 72 GLU CA C 13 56.400 0.000 . 1 . . . A 72 GLU CA . 17948 1 502 . 1 1 72 72 GLU CB C 13 30.700 0.000 . 1 . . . A 72 GLU CB . 17948 1 503 . 1 1 72 72 GLU CG C 13 36.010 0.000 . 1 . . . A 72 GLU CG . 17948 1 504 . 1 1 72 72 GLU N N 15 120.438 0.000 . 1 . . . A 72 GLU N . 17948 1 505 . 1 1 73 73 SER H H 1 8.666 0.004 . 1 . . . A 73 SER H . 17948 1 506 . 1 1 73 73 SER HA H 1 4.601 0.002 . 1 . . . A 73 SER HA . 17948 1 507 . 1 1 73 73 SER HB2 H 1 3.972 0.004 . 2 . . . A 73 SER HB2 . 17948 1 508 . 1 1 73 73 SER HB3 H 1 4.180 0.004 . 2 . . . A 73 SER HB3 . 17948 1 509 . 1 1 73 73 SER CA C 13 58.011 0.000 . 1 . . . A 73 SER CA . 17948 1 510 . 1 1 73 73 SER CB C 13 64.816 0.000 . 1 . . . A 73 SER CB . 17948 1 511 . 1 1 73 73 SER N N 15 117.699 0.000 . 1 . . . A 73 SER N . 17948 1 512 . 1 1 74 74 LEU H H 1 8.899 0.003 . 1 . . . A 74 LEU H . 17948 1 513 . 1 1 74 74 LEU HA H 1 4.241 0.013 . 1 . . . A 74 LEU HA . 17948 1 514 . 1 1 74 74 LEU HB2 H 1 1.619 0.000 . 2 . . . A 74 LEU HB2 . 17948 1 515 . 1 1 74 74 LEU HB3 H 1 1.790 0.008 . 2 . . . A 74 LEU HB3 . 17948 1 516 . 1 1 74 74 LEU HG H 1 1.589 0.019 . 1 . . . A 74 LEU HG . 17948 1 517 . 1 1 74 74 LEU HD11 H 1 0.992 0.004 . 2 . . . A 74 LEU HD11 . 17948 1 518 . 1 1 74 74 LEU HD12 H 1 0.992 0.004 . 2 . . . A 74 LEU HD12 . 17948 1 519 . 1 1 74 74 LEU HD13 H 1 0.992 0.004 . 2 . . . A 74 LEU HD13 . 17948 1 520 . 1 1 74 74 LEU HD21 H 1 0.935 0.002 . 2 . . . A 74 LEU HD21 . 17948 1 521 . 1 1 74 74 LEU HD22 H 1 0.935 0.002 . 2 . . . A 74 LEU HD22 . 17948 1 522 . 1 1 74 74 LEU HD23 H 1 0.935 0.002 . 2 . . . A 74 LEU HD23 . 17948 1 523 . 1 1 74 74 LEU CA C 13 57.723 0.000 . 1 . . . A 74 LEU CA . 17948 1 524 . 1 1 74 74 LEU CB C 13 42.155 0.000 . 1 . . . A 74 LEU CB . 17948 1 525 . 1 1 74 74 LEU CG C 13 26.770 0.000 . 1 . . . A 74 LEU CG . 17948 1 526 . 1 1 74 74 LEU CD1 C 13 24.730 0.000 . 1 . . . A 74 LEU CD1 . 17948 1 527 . 1 1 74 74 LEU CD2 C 13 24.100 0.000 . 1 . . . A 74 LEU CD2 . 17948 1 528 . 1 1 74 74 LEU N N 15 125.422 0.000 . 1 . . . A 74 LEU N . 17948 1 529 . 1 1 75 75 ALA H H 1 8.389 0.005 . 1 . . . A 75 ALA H . 17948 1 530 . 1 1 75 75 ALA HA H 1 4.021 0.007 . 1 . . . A 75 ALA HA . 17948 1 531 . 1 1 75 75 ALA HB1 H 1 1.429 0.010 . 1 . . . A 75 ALA HB1 . 17948 1 532 . 1 1 75 75 ALA HB2 H 1 1.429 0.010 . 1 . . . A 75 ALA HB2 . 17948 1 533 . 1 1 75 75 ALA HB3 H 1 1.429 0.010 . 1 . . . A 75 ALA HB3 . 17948 1 534 . 1 1 75 75 ALA CA C 13 54.800 0.000 . 1 . . . A 75 ALA CA . 17948 1 535 . 1 1 75 75 ALA CB C 13 18.600 0.000 . 1 . . . A 75 ALA CB . 17948 1 536 . 1 1 75 75 ALA N N 15 120.685 0.000 . 1 . . . A 75 ALA N . 17948 1 537 . 1 1 76 76 ASP H H 1 7.777 0.003 . 1 . . . A 76 ASP H . 17948 1 538 . 1 1 76 76 ASP HA H 1 4.434 0.002 . 1 . . . A 76 ASP HA . 17948 1 539 . 1 1 76 76 ASP HB2 H 1 2.789 0.015 . 2 . . . A 76 ASP HB2 . 17948 1 540 . 1 1 76 76 ASP HB3 H 1 2.771 0.004 . 2 . . . A 76 ASP HB3 . 17948 1 541 . 1 1 76 76 ASP CA C 13 56.700 0.000 . 1 . . . A 76 ASP CA . 17948 1 542 . 1 1 76 76 ASP CB C 13 40.683 0.000 . 1 . . . A 76 ASP CB . 17948 1 543 . 1 1 76 76 ASP N N 15 117.754 0.000 . 1 . . . A 76 ASP N . 17948 1 544 . 1 1 77 77 GLN H H 1 8.038 0.003 . 1 . . . A 77 GLN H . 17948 1 545 . 1 1 77 77 GLN HA H 1 4.221 0.008 . 1 . . . A 77 GLN HA . 17948 1 546 . 1 1 77 77 GLN HB2 H 1 2.149 0.000 . 2 . . . A 77 GLN HB2 . 17948 1 547 . 1 1 77 77 GLN HB3 H 1 2.163 0.001 . 2 . . . A 77 GLN HB3 . 17948 1 548 . 1 1 77 77 GLN HG2 H 1 2.344 0.003 . 2 . . . A 77 GLN HG2 . 17948 1 549 . 1 1 77 77 GLN HG3 H 1 2.488 0.001 . 2 . . . A 77 GLN HG3 . 17948 1 550 . 1 1 77 77 GLN HE21 H 1 7.150 0.009 . 2 . . . A 77 GLN HE21 . 17948 1 551 . 1 1 77 77 GLN HE22 H 1 6.700 0.004 . 2 . . . A 77 GLN HE22 . 17948 1 552 . 1 1 77 77 GLN CA C 13 57.844 0.000 . 1 . . . A 77 GLN CA . 17948 1 553 . 1 1 77 77 GLN CB C 13 29.602 0.000 . 1 . . . A 77 GLN CB . 17948 1 554 . 1 1 77 77 GLN CG C 13 34.533 0.000 . 1 . . . A 77 GLN CG . 17948 1 555 . 1 1 77 77 GLN N N 15 119.402 0.000 . 1 . . . A 77 GLN N . 17948 1 556 . 1 1 77 77 GLN NE2 N 15 110.135 0.000 . 1 . . . A 77 GLN NE2 . 17948 1 557 . 1 1 78 78 ALA H H 1 8.427 0.000 . 1 . . . A 78 ALA H . 17948 1 558 . 1 1 78 78 ALA HA H 1 4.171 0.004 . 1 . . . A 78 ALA HA . 17948 1 559 . 1 1 78 78 ALA HB1 H 1 1.495 0.004 . 1 . . . A 78 ALA HB1 . 17948 1 560 . 1 1 78 78 ALA HB2 H 1 1.495 0.004 . 1 . . . A 78 ALA HB2 . 17948 1 561 . 1 1 78 78 ALA HB3 H 1 1.495 0.004 . 1 . . . A 78 ALA HB3 . 17948 1 562 . 1 1 78 78 ALA CA C 13 54.550 0.000 . 1 . . . A 78 ALA CA . 17948 1 563 . 1 1 78 78 ALA CB C 13 18.854 0.000 . 1 . . . A 78 ALA CB . 17948 1 564 . 1 1 78 78 ALA N N 15 121.376 0.000 . 1 . . . A 78 ALA N . 17948 1 565 . 1 1 79 79 ARG H H 1 8.031 0.005 . 1 . . . A 79 ARG H . 17948 1 566 . 1 1 79 79 ARG HA H 1 4.018 0.005 . 1 . . . A 79 ARG HA . 17948 1 567 . 1 1 79 79 ARG HB2 H 1 1.970 0.004 . 2 . . . A 79 ARG HB2 . 17948 1 568 . 1 1 79 79 ARG HB3 H 1 1.953 0.003 . 2 . . . A 79 ARG HB3 . 17948 1 569 . 1 1 79 79 ARG HG2 H 1 1.831 0.004 . 2 . . . A 79 ARG HG2 . 17948 1 570 . 1 1 79 79 ARG HG3 H 1 1.612 0.004 . 2 . . . A 79 ARG HG3 . 17948 1 571 . 1 1 79 79 ARG HD2 H 1 3.273 0.003 . 2 . . . A 79 ARG HD2 . 17948 1 572 . 1 1 79 79 ARG HD3 H 1 3.271 0.003 . 2 . . . A 79 ARG HD3 . 17948 1 573 . 1 1 79 79 ARG CA C 13 59.293 0.000 . 1 . . . A 79 ARG CA . 17948 1 574 . 1 1 79 79 ARG CB C 13 30.159 0.000 . 1 . . . A 79 ARG CB . 17948 1 575 . 1 1 79 79 ARG CG C 13 27.877 0.000 . 1 . . . A 79 ARG CG . 17948 1 576 . 1 1 79 79 ARG CD C 13 43.417 0.000 . 1 . . . A 79 ARG CD . 17948 1 577 . 1 1 79 79 ARG N N 15 117.905 0.000 . 1 . . . A 79 ARG N . 17948 1 578 . 1 1 80 80 ASP H H 1 8.126 0.005 . 1 . . . A 80 ASP H . 17948 1 579 . 1 1 80 80 ASP HA H 1 4.561 0.004 . 1 . . . A 80 ASP HA . 17948 1 580 . 1 1 80 80 ASP HB2 H 1 2.633 0.004 . 2 . . . A 80 ASP HB2 . 17948 1 581 . 1 1 80 80 ASP HB3 H 1 2.730 0.006 . 2 . . . A 80 ASP HB3 . 17948 1 582 . 1 1 80 80 ASP CA C 13 56.276 0.000 . 1 . . . A 80 ASP CA . 17948 1 583 . 1 1 80 80 ASP CB C 13 40.500 0.000 . 1 . . . A 80 ASP CB . 17948 1 584 . 1 1 80 80 ASP N N 15 120.290 0.000 . 1 . . . A 80 ASP N . 17948 1 585 . 1 1 81 81 TYR H H 1 8.250 0.003 . 1 . . . A 81 TYR H . 17948 1 586 . 1 1 81 81 TYR HA H 1 4.340 0.006 . 1 . . . A 81 TYR HA . 17948 1 587 . 1 1 81 81 TYR HB2 H 1 3.072 0.003 . 2 . . . A 81 TYR HB2 . 17948 1 588 . 1 1 81 81 TYR HB3 H 1 3.034 0.001 . 2 . . . A 81 TYR HB3 . 17948 1 589 . 1 1 81 81 TYR CA C 13 61.119 0.000 . 1 . . . A 81 TYR CA . 17948 1 590 . 1 1 81 81 TYR CB C 13 38.500 0.000 . 1 . . . A 81 TYR CB . 17948 1 591 . 1 1 81 81 TYR N N 15 120.191 0.000 . 1 . . . A 81 TYR N . 17948 1 592 . 1 1 82 82 MET H H 1 8.354 0.004 . 1 . . . A 82 MET H . 17948 1 593 . 1 1 82 82 MET HA H 1 4.222 0.006 . 1 . . . A 82 MET HA . 17948 1 594 . 1 1 82 82 MET HB2 H 1 2.270 0.004 . 2 . . . A 82 MET HB2 . 17948 1 595 . 1 1 82 82 MET HB3 H 1 2.150 0.006 . 2 . . . A 82 MET HB3 . 17948 1 596 . 1 1 82 82 MET HG2 H 1 2.609 0.006 . 2 . . . A 82 MET HG2 . 17948 1 597 . 1 1 82 82 MET HG3 H 1 2.732 0.005 . 2 . . . A 82 MET HG3 . 17948 1 598 . 1 1 82 82 MET CA C 13 58.618 0.000 . 1 . . . A 82 MET CA . 17948 1 599 . 1 1 82 82 MET CB C 13 32.875 0.000 . 1 . . . A 82 MET CB . 17948 1 600 . 1 1 82 82 MET CG C 13 32.539 0.000 . 1 . . . A 82 MET CG . 17948 1 601 . 1 1 82 82 MET N N 15 117.996 0.000 . 1 . . . A 82 MET N . 17948 1 602 . 1 1 83 83 GLY H H 1 8.365 0.005 . 1 . . . A 83 GLY H . 17948 1 603 . 1 1 83 83 GLY HA2 H 1 3.848 0.000 . 2 . . . A 83 GLY HA2 . 17948 1 604 . 1 1 83 83 GLY HA3 H 1 4.029 0.000 . 2 . . . A 83 GLY HA3 . 17948 1 605 . 1 1 83 83 GLY CA C 13 47.200 0.000 . 1 . . . A 83 GLY CA . 17948 1 606 . 1 1 83 83 GLY N N 15 106.902 0.000 . 1 . . . A 83 GLY N . 17948 1 607 . 1 1 84 84 ALA H H 1 7.950 0.005 . 1 . . . A 84 ALA H . 17948 1 608 . 1 1 84 84 ALA HA H 1 4.318 0.008 . 1 . . . A 84 ALA HA . 17948 1 609 . 1 1 84 84 ALA HB1 H 1 1.551 0.009 . 1 . . . A 84 ALA HB1 . 17948 1 610 . 1 1 84 84 ALA HB2 H 1 1.551 0.009 . 1 . . . A 84 ALA HB2 . 17948 1 611 . 1 1 84 84 ALA HB3 H 1 1.551 0.009 . 1 . . . A 84 ALA HB3 . 17948 1 612 . 1 1 84 84 ALA CA C 13 54.278 0.000 . 1 . . . A 84 ALA CA . 17948 1 613 . 1 1 84 84 ALA CB C 13 18.569 0.000 . 1 . . . A 84 ALA CB . 17948 1 614 . 1 1 84 84 ALA N N 15 124.830 0.000 . 1 . . . A 84 ALA N . 17948 1 615 . 1 1 85 85 ALA H H 1 8.274 0.004 . 1 . . . A 85 ALA H . 17948 1 616 . 1 1 85 85 ALA HA H 1 4.037 0.006 . 1 . . . A 85 ALA HA . 17948 1 617 . 1 1 85 85 ALA HB1 H 1 1.535 0.007 . 1 . . . A 85 ALA HB1 . 17948 1 618 . 1 1 85 85 ALA HB2 H 1 1.535 0.007 . 1 . . . A 85 ALA HB2 . 17948 1 619 . 1 1 85 85 ALA HB3 H 1 1.535 0.007 . 1 . . . A 85 ALA HB3 . 17948 1 620 . 1 1 85 85 ALA CA C 13 54.979 0.000 . 1 . . . A 85 ALA CA . 17948 1 621 . 1 1 85 85 ALA CB C 13 18.500 0.000 . 1 . . . A 85 ALA CB . 17948 1 622 . 1 1 85 85 ALA N N 15 120.542 0.000 . 1 . . . A 85 ALA N . 17948 1 623 . 1 1 86 86 LYS H H 1 8.265 0.004 . 1 . . . A 86 LYS H . 17948 1 624 . 1 1 86 86 LYS HA H 1 3.887 0.006 . 1 . . . A 86 LYS HA . 17948 1 625 . 1 1 86 86 LYS HB2 H 1 2.006 0.004 . 2 . . . A 86 LYS HB2 . 17948 1 626 . 1 1 86 86 LYS HB3 H 1 1.957 0.007 . 2 . . . A 86 LYS HB3 . 17948 1 627 . 1 1 86 86 LYS HG2 H 1 1.602 0.000 . 2 . . . A 86 LYS HG2 . 17948 1 628 . 1 1 86 86 LYS HG3 H 1 1.501 0.004 . 2 . . . A 86 LYS HG3 . 17948 1 629 . 1 1 86 86 LYS HD2 H 1 1.802 0.001 . 2 . . . A 86 LYS HD2 . 17948 1 630 . 1 1 86 86 LYS HD3 H 1 1.791 0.001 . 2 . . . A 86 LYS HD3 . 17948 1 631 . 1 1 86 86 LYS HE2 H 1 2.930 0.000 . 1 . . . A 86 LYS HE2 . 17948 1 632 . 1 1 86 86 LYS HE3 H 1 2.930 0.000 . 1 . . . A 86 LYS HE3 . 17948 1 633 . 1 1 86 86 LYS CA C 13 60.060 0.000 . 1 . . . A 86 LYS CA . 17948 1 634 . 1 1 86 86 LYS CB C 13 32.300 0.000 . 1 . . . A 86 LYS CB . 17948 1 635 . 1 1 86 86 LYS CG C 13 24.910 0.000 . 1 . . . A 86 LYS CG . 17948 1 636 . 1 1 86 86 LYS CD C 13 28.780 0.000 . 1 . . . A 86 LYS CD . 17948 1 637 . 1 1 86 86 LYS N N 15 116.920 0.000 . 1 . . . A 86 LYS N . 17948 1 638 . 1 1 87 87 SER H H 1 7.926 0.002 . 1 . . . A 87 SER H . 17948 1 639 . 1 1 87 87 SER HA H 1 4.312 0.006 . 1 . . . A 87 SER HA . 17948 1 640 . 1 1 87 87 SER HB2 H 1 4.061 0.004 . 2 . . . A 87 SER HB2 . 17948 1 641 . 1 1 87 87 SER HB3 H 1 3.980 0.015 . 2 . . . A 87 SER HB3 . 17948 1 642 . 1 1 87 87 SER CA C 13 61.330 0.000 . 1 . . . A 87 SER CA . 17948 1 643 . 1 1 87 87 SER CB C 13 62.900 0.000 . 1 . . . A 87 SER CB . 17948 1 644 . 1 1 87 87 SER N N 15 113.664 0.000 . 1 . . . A 87 SER N . 17948 1 645 . 1 1 88 88 LYS H H 1 7.859 0.005 . 1 . . . A 88 LYS H . 17948 1 646 . 1 1 88 88 LYS HA H 1 4.386 0.001 . 1 . . . A 88 LYS HA . 17948 1 647 . 1 1 88 88 LYS HB2 H 1 1.905 0.001 . 2 . . . A 88 LYS HB2 . 17948 1 648 . 1 1 88 88 LYS HB3 H 1 2.006 0.002 . 2 . . . A 88 LYS HB3 . 17948 1 649 . 1 1 88 88 LYS HG2 H 1 1.675 0.008 . 2 . . . A 88 LYS HG2 . 17948 1 650 . 1 1 88 88 LYS HG3 H 1 1.580 0.010 . 2 . . . A 88 LYS HG3 . 17948 1 651 . 1 1 88 88 LYS HD2 H 1 1.799 0.001 . 2 . . . A 88 LYS HD2 . 17948 1 652 . 1 1 88 88 LYS HD3 H 1 1.807 0.003 . 2 . . . A 88 LYS HD3 . 17948 1 653 . 1 1 88 88 LYS HE2 H 1 2.930 0.000 . 1 . . . A 88 LYS HE2 . 17948 1 654 . 1 1 88 88 LYS HE3 H 1 2.930 0.000 . 1 . . . A 88 LYS HE3 . 17948 1 655 . 1 1 88 88 LYS CA C 13 57.344 0.000 . 1 . . . A 88 LYS CA . 17948 1 656 . 1 1 88 88 LYS CB C 13 31.800 0.000 . 1 . . . A 88 LYS CB . 17948 1 657 . 1 1 88 88 LYS CG C 13 24.910 0.000 . 1 . . . A 88 LYS CG . 17948 1 658 . 1 1 88 88 LYS CD C 13 28.780 0.000 . 1 . . . A 88 LYS CD . 17948 1 659 . 1 1 88 88 LYS N N 15 120.310 0.000 . 1 . . . A 88 LYS N . 17948 1 660 . 1 1 89 89 LEU H H 1 8.158 0.003 . 1 . . . A 89 LEU H . 17948 1 661 . 1 1 89 89 LEU HA H 1 4.101 0.014 . 1 . . . A 89 LEU HA . 17948 1 662 . 1 1 89 89 LEU HB2 H 1 1.799 0.003 . 2 . . . A 89 LEU HB2 . 17948 1 663 . 1 1 89 89 LEU HB3 H 1 1.821 0.008 . 2 . . . A 89 LEU HB3 . 17948 1 664 . 1 1 89 89 LEU HG H 1 1.604 0.011 . 1 . . . A 89 LEU HG . 17948 1 665 . 1 1 89 89 LEU HD11 H 1 0.938 0.008 . 2 . . . A 89 LEU HD11 . 17948 1 666 . 1 1 89 89 LEU HD12 H 1 0.938 0.008 . 2 . . . A 89 LEU HD12 . 17948 1 667 . 1 1 89 89 LEU HD13 H 1 0.938 0.008 . 2 . . . A 89 LEU HD13 . 17948 1 668 . 1 1 89 89 LEU HD21 H 1 0.927 0.007 . 2 . . . A 89 LEU HD21 . 17948 1 669 . 1 1 89 89 LEU HD22 H 1 0.927 0.007 . 2 . . . A 89 LEU HD22 . 17948 1 670 . 1 1 89 89 LEU HD23 H 1 0.927 0.007 . 2 . . . A 89 LEU HD23 . 17948 1 671 . 1 1 89 89 LEU CA C 13 58.067 0.000 . 1 . . . A 89 LEU CA . 17948 1 672 . 1 1 89 89 LEU CB C 13 41.500 0.000 . 1 . . . A 89 LEU CB . 17948 1 673 . 1 1 89 89 LEU CG C 13 26.770 0.000 . 1 . . . A 89 LEU CG . 17948 1 674 . 1 1 89 89 LEU CD1 C 13 24.730 0.000 . 1 . . . A 89 LEU CD1 . 17948 1 675 . 1 1 89 89 LEU CD2 C 13 24.100 0.000 . 1 . . . A 89 LEU CD2 . 17948 1 676 . 1 1 89 89 LEU N N 15 119.648 0.000 . 1 . . . A 89 LEU N . 17948 1 677 . 1 1 90 90 ASN H H 1 8.240 0.005 . 1 . . . A 90 ASN H . 17948 1 678 . 1 1 90 90 ASN HA H 1 4.398 0.001 . 1 . . . A 90 ASN HA . 17948 1 679 . 1 1 90 90 ASN HB2 H 1 2.930 0.002 . 2 . . . A 90 ASN HB2 . 17948 1 680 . 1 1 90 90 ASN HB3 H 1 2.969 0.003 . 2 . . . A 90 ASN HB3 . 17948 1 681 . 1 1 90 90 ASN HD21 H 1 7.270 0.000 . 2 . . . A 90 ASN HD21 . 17948 1 682 . 1 1 90 90 ASN HD22 H 1 7.200 0.000 . 2 . . . A 90 ASN HD22 . 17948 1 683 . 1 1 90 90 ASN CA C 13 57.059 0.000 . 1 . . . A 90 ASN CA . 17948 1 684 . 1 1 90 90 ASN CB C 13 38.500 0.000 . 1 . . . A 90 ASN CB . 17948 1 685 . 1 1 90 90 ASN N N 15 117.422 0.000 . 1 . . . A 90 ASN N . 17948 1 686 . 1 1 91 91 ASP H H 1 8.111 0.004 . 1 . . . A 91 ASP H . 17948 1 687 . 1 1 91 91 ASP HA H 1 4.441 0.005 . 1 . . . A 91 ASP HA . 17948 1 688 . 1 1 91 91 ASP HB2 H 1 2.967 0.007 . 2 . . . A 91 ASP HB2 . 17948 1 689 . 1 1 91 91 ASP HB3 H 1 2.659 0.008 . 2 . . . A 91 ASP HB3 . 17948 1 690 . 1 1 91 91 ASP CA C 13 57.344 0.000 . 1 . . . A 91 ASP CA . 17948 1 691 . 1 1 91 91 ASP CB C 13 40.300 0.000 . 1 . . . A 91 ASP CB . 17948 1 692 . 1 1 91 91 ASP N N 15 119.945 0.000 . 1 . . . A 91 ASP N . 17948 1 693 . 1 1 92 92 ALA H H 1 8.240 0.005 . 1 . . . A 92 ALA H . 17948 1 694 . 1 1 92 92 ALA HA H 1 4.174 0.007 . 1 . . . A 92 ALA HA . 17948 1 695 . 1 1 92 92 ALA HB1 H 1 1.611 0.002 . 1 . . . A 92 ALA HB1 . 17948 1 696 . 1 1 92 92 ALA HB2 H 1 1.611 0.002 . 1 . . . A 92 ALA HB2 . 17948 1 697 . 1 1 92 92 ALA HB3 H 1 1.611 0.002 . 1 . . . A 92 ALA HB3 . 17948 1 698 . 1 1 92 92 ALA CA C 13 55.373 0.000 . 1 . . . A 92 ALA CA . 17948 1 699 . 1 1 92 92 ALA CB C 13 18.300 0.000 . 1 . . . A 92 ALA CB . 17948 1 700 . 1 1 92 92 ALA N N 15 123.226 0.000 . 1 . . . A 92 ALA N . 17948 1 701 . 1 1 93 93 VAL H H 1 8.410 0.001 . 1 . . . A 93 VAL H . 17948 1 702 . 1 1 93 93 VAL HA H 1 3.599 0.007 . 1 . . . A 93 VAL HA . 17948 1 703 . 1 1 93 93 VAL HB H 1 2.343 0.002 . 1 . . . A 93 VAL HB . 17948 1 704 . 1 1 93 93 VAL HG11 H 1 1.151 0.005 . 2 . . . A 93 VAL HG11 . 17948 1 705 . 1 1 93 93 VAL HG12 H 1 1.151 0.005 . 2 . . . A 93 VAL HG12 . 17948 1 706 . 1 1 93 93 VAL HG13 H 1 1.151 0.005 . 2 . . . A 93 VAL HG13 . 17948 1 707 . 1 1 93 93 VAL HG21 H 1 1.009 0.003 . 2 . . . A 93 VAL HG21 . 17948 1 708 . 1 1 93 93 VAL HG22 H 1 1.009 0.003 . 2 . . . A 93 VAL HG22 . 17948 1 709 . 1 1 93 93 VAL HG23 H 1 1.009 0.003 . 2 . . . A 93 VAL HG23 . 17948 1 710 . 1 1 93 93 VAL CA C 13 66.893 0.000 . 1 . . . A 93 VAL CA . 17948 1 711 . 1 1 93 93 VAL CB C 13 31.613 0.000 . 1 . . . A 93 VAL CB . 17948 1 712 . 1 1 93 93 VAL CG1 C 13 23.132 0.000 . 1 . . . A 93 VAL CG1 . 17948 1 713 . 1 1 93 93 VAL CG2 C 13 21.446 0.000 . 1 . . . A 93 VAL CG2 . 17948 1 714 . 1 1 93 93 VAL N N 15 117.940 0.000 . 1 . . . A 93 VAL N . 17948 1 715 . 1 1 94 94 GLU H H 1 8.289 0.004 . 1 . . . A 94 GLU H . 17948 1 716 . 1 1 94 94 GLU HA H 1 4.050 0.005 . 1 . . . A 94 GLU HA . 17948 1 717 . 1 1 94 94 GLU HB2 H 1 2.175 0.006 . 2 . . . A 94 GLU HB2 . 17948 1 718 . 1 1 94 94 GLU HB3 H 1 2.161 0.005 . 2 . . . A 94 GLU HB3 . 17948 1 719 . 1 1 94 94 GLU HG2 H 1 2.310 0.000 . 1 . . . A 94 GLU HG2 . 17948 1 720 . 1 1 94 94 GLU HG3 H 1 2.309 0.001 . 1 . . . A 94 GLU HG3 . 17948 1 721 . 1 1 94 94 GLU CA C 13 59.600 0.000 . 1 . . . A 94 GLU CA . 17948 1 722 . 1 1 94 94 GLU CB C 13 29.600 0.000 . 1 . . . A 94 GLU CB . 17948 1 723 . 1 1 94 94 GLU CG C 13 36.010 0.000 . 1 . . . A 94 GLU CG . 17948 1 724 . 1 1 94 94 GLU N N 15 120.610 0.000 . 1 . . . A 94 GLU N . 17948 1 725 . 1 1 95 95 TYR H H 1 8.186 0.003 . 1 . . . A 95 TYR H . 17948 1 726 . 1 1 95 95 TYR HA H 1 4.270 0.001 . 1 . . . A 95 TYR HA . 17948 1 727 . 1 1 95 95 TYR HB2 H 1 3.270 0.008 . 2 . . . A 95 TYR HB2 . 17948 1 728 . 1 1 95 95 TYR HB3 H 1 3.235 0.002 . 2 . . . A 95 TYR HB3 . 17948 1 729 . 1 1 95 95 TYR CA C 13 61.300 0.000 . 1 . . . A 95 TYR CA . 17948 1 730 . 1 1 95 95 TYR CB C 13 38.700 0.000 . 1 . . . A 95 TYR CB . 17948 1 731 . 1 1 95 95 TYR N N 15 120.241 0.000 . 1 . . . A 95 TYR N . 17948 1 732 . 1 1 96 96 VAL H H 1 8.394 0.006 . 1 . . . A 96 VAL H . 17948 1 733 . 1 1 96 96 VAL HA H 1 3.546 0.004 . 1 . . . A 96 VAL HA . 17948 1 734 . 1 1 96 96 VAL HB H 1 2.233 0.000 . 1 . . . A 96 VAL HB . 17948 1 735 . 1 1 96 96 VAL HG11 H 1 1.021 0.006 . 2 . . . A 96 VAL HG11 . 17948 1 736 . 1 1 96 96 VAL HG12 H 1 1.021 0.006 . 2 . . . A 96 VAL HG12 . 17948 1 737 . 1 1 96 96 VAL HG13 H 1 1.021 0.006 . 2 . . . A 96 VAL HG13 . 17948 1 738 . 1 1 96 96 VAL HG21 H 1 1.231 0.005 . 2 . . . A 96 VAL HG21 . 17948 1 739 . 1 1 96 96 VAL HG22 H 1 1.231 0.005 . 2 . . . A 96 VAL HG22 . 17948 1 740 . 1 1 96 96 VAL HG23 H 1 1.231 0.005 . 2 . . . A 96 VAL HG23 . 17948 1 741 . 1 1 96 96 VAL CA C 13 66.070 0.000 . 1 . . . A 96 VAL CA . 17948 1 742 . 1 1 96 96 VAL CB C 13 31.745 0.000 . 1 . . . A 96 VAL CB . 17948 1 743 . 1 1 96 96 VAL CG1 C 13 22.075 0.000 . 1 . . . A 96 VAL CG1 . 17948 1 744 . 1 1 96 96 VAL CG2 C 13 22.871 0.000 . 1 . . . A 96 VAL CG2 . 17948 1 745 . 1 1 96 96 VAL N N 15 116.942 0.000 . 1 . . . A 96 VAL N . 17948 1 746 . 1 1 97 97 SER H H 1 8.433 0.001 . 1 . . . A 97 SER H . 17948 1 747 . 1 1 97 97 SER HA H 1 4.145 0.000 . 1 . . . A 97 SER HA . 17948 1 748 . 1 1 97 97 SER HB2 H 1 4.026 0.008 . 2 . . . A 97 SER HB2 . 17948 1 749 . 1 1 97 97 SER HB3 H 1 3.963 0.003 . 2 . . . A 97 SER HB3 . 17948 1 750 . 1 1 97 97 SER CA C 13 61.393 0.000 . 1 . . . A 97 SER CA . 17948 1 751 . 1 1 97 97 SER CB C 13 63.415 0.000 . 1 . . . A 97 SER CB . 17948 1 752 . 1 1 97 97 SER N N 15 113.924 0.000 . 1 . . . A 97 SER N . 17948 1 753 . 1 1 98 98 GLY H H 1 7.899 0.005 . 1 . . . A 98 GLY H . 17948 1 754 . 1 1 98 98 GLY HA2 H 1 3.935 0.000 . 2 . . . A 98 GLY HA2 . 17948 1 755 . 1 1 98 98 GLY HA3 H 1 3.964 0.000 . 2 . . . A 98 GLY HA3 . 17948 1 756 . 1 1 98 98 GLY CA C 13 46.298 0.000 . 1 . . . A 98 GLY CA . 17948 1 757 . 1 1 98 98 GLY N N 15 107.509 0.000 . 1 . . . A 98 GLY N . 17948 1 758 . 1 1 99 99 ARG H H 1 7.696 0.005 . 1 . . . A 99 ARG H . 17948 1 759 . 1 1 99 99 ARG HA H 1 4.268 0.002 . 1 . . . A 99 ARG HA . 17948 1 760 . 1 1 99 99 ARG HB2 H 1 1.744 0.004 . 2 . . . A 99 ARG HB2 . 17948 1 761 . 1 1 99 99 ARG HB3 H 1 1.814 0.005 . 2 . . . A 99 ARG HB3 . 17948 1 762 . 1 1 99 99 ARG HG2 H 1 1.510 0.006 . 2 . . . A 99 ARG HG2 . 17948 1 763 . 1 1 99 99 ARG HG3 H 1 1.505 0.009 . 2 . . . A 99 ARG HG3 . 17948 1 764 . 1 1 99 99 ARG HD2 H 1 3.041 0.007 . 2 . . . A 99 ARG HD2 . 17948 1 765 . 1 1 99 99 ARG HD3 H 1 3.076 0.009 . 2 . . . A 99 ARG HD3 . 17948 1 766 . 1 1 99 99 ARG CA C 13 56.527 0.000 . 1 . . . A 99 ARG CA . 17948 1 767 . 1 1 99 99 ARG CB C 13 30.300 0.000 . 1 . . . A 99 ARG CB . 17948 1 768 . 1 1 99 99 ARG CG C 13 27.310 0.000 . 1 . . . A 99 ARG CG . 17948 1 769 . 1 1 99 99 ARG CD C 13 43.100 0.000 . 1 . . . A 99 ARG CD . 17948 1 770 . 1 1 99 99 ARG N N 15 119.471 0.000 . 1 . . . A 99 ARG N . 17948 1 771 . 1 1 100 100 VAL H H 1 7.906 0.005 . 1 . . . A 100 VAL H . 17948 1 772 . 1 1 100 100 VAL HA H 1 3.960 0.004 . 1 . . . A 100 VAL HA . 17948 1 773 . 1 1 100 100 VAL HB H 1 2.044 0.003 . 1 . . . A 100 VAL HB . 17948 1 774 . 1 1 100 100 VAL HG11 H 1 0.804 0.009 . 2 . . . A 100 VAL HG11 . 17948 1 775 . 1 1 100 100 VAL HG12 H 1 0.804 0.009 . 2 . . . A 100 VAL HG12 . 17948 1 776 . 1 1 100 100 VAL HG13 H 1 0.804 0.009 . 2 . . . A 100 VAL HG13 . 17948 1 777 . 1 1 100 100 VAL HG21 H 1 0.912 0.001 . 2 . . . A 100 VAL HG21 . 17948 1 778 . 1 1 100 100 VAL HG22 H 1 0.912 0.001 . 2 . . . A 100 VAL HG22 . 17948 1 779 . 1 1 100 100 VAL HG23 H 1 0.912 0.001 . 2 . . . A 100 VAL HG23 . 17948 1 780 . 1 1 100 100 VAL CA C 13 63.400 0.000 . 1 . . . A 100 VAL CA . 17948 1 781 . 1 1 100 100 VAL CB C 13 32.320 0.000 . 1 . . . A 100 VAL CB . 17948 1 782 . 1 1 100 100 VAL CG1 C 13 21.380 0.000 . 1 . . . A 100 VAL CG1 . 17948 1 783 . 1 1 100 100 VAL CG2 C 13 21.310 0.000 . 1 . . . A 100 VAL CG2 . 17948 1 784 . 1 1 100 100 VAL N N 15 117.316 0.000 . 1 . . . A 100 VAL N . 17948 1 785 . 1 1 101 101 HIS H H 1 8.130 0.006 . 1 . . . A 101 HIS H . 17948 1 786 . 1 1 101 101 HIS HA H 1 4.701 0.006 . 1 . . . A 101 HIS HA . 17948 1 787 . 1 1 101 101 HIS HB2 H 1 3.166 0.005 . 2 . . . A 101 HIS HB2 . 17948 1 788 . 1 1 101 101 HIS HB3 H 1 3.294 0.000 . 2 . . . A 101 HIS HB3 . 17948 1 789 . 1 1 101 101 HIS CA C 13 56.200 0.000 . 1 . . . A 101 HIS CA . 17948 1 790 . 1 1 101 101 HIS CB C 13 30.048 0.000 . 1 . . . A 101 HIS CB . 17948 1 791 . 1 1 101 101 HIS N N 15 119.155 0.000 . 1 . . . A 101 HIS N . 17948 1 792 . 1 1 102 102 GLY H H 1 8.086 0.003 . 1 . . . A 102 GLY H . 17948 1 793 . 1 1 102 102 GLY HA2 H 1 3.930 0.000 . 2 . . . A 102 GLY HA2 . 17948 1 794 . 1 1 102 102 GLY HA3 H 1 3.950 0.000 . 2 . . . A 102 GLY HA3 . 17948 1 795 . 1 1 102 102 GLY CA C 13 45.333 0.000 . 1 . . . A 102 GLY CA . 17948 1 796 . 1 1 102 102 GLY N N 15 109.145 0.000 . 1 . . . A 102 GLY N . 17948 1 797 . 1 1 103 103 GLU H H 1 7.932 0.000 . 1 . . . A 103 GLU H . 17948 1 798 . 1 1 103 103 GLU HA H 1 4.330 0.000 . 1 . . . A 103 GLU HA . 17948 1 799 . 1 1 103 103 GLU HB2 H 1 1.902 0.000 . 2 . . . A 103 GLU HB2 . 17948 1 800 . 1 1 103 103 GLU HB3 H 1 2.054 0.000 . 2 . . . A 103 GLU HB3 . 17948 1 801 . 1 1 103 103 GLU HG2 H 1 2.310 0.000 . 1 . . . A 103 GLU HG2 . 17948 1 802 . 1 1 103 103 GLU HG3 H 1 2.310 0.000 . 1 . . . A 103 GLU HG3 . 17948 1 803 . 1 1 103 103 GLU CA C 13 62.300 0.000 . 1 . . . A 103 GLU CA . 17948 1 804 . 1 1 103 103 GLU CB C 13 32.754 0.000 . 1 . . . A 103 GLU CB . 17948 1 805 . 1 1 103 103 GLU CG C 13 36.010 0.000 . 1 . . . A 103 GLU CG . 17948 1 806 . 1 1 103 103 GLU N N 15 119.345 0.000 . 1 . . . A 103 GLU N . 17948 1 807 . 1 1 104 104 GLU H H 1 8.325 0.000 . 1 . . . A 104 GLU H . 17948 1 808 . 1 1 104 104 GLU HA H 1 4.272 0.000 . 1 . . . A 104 GLU HA . 17948 1 809 . 1 1 104 104 GLU HB2 H 1 1.921 0.000 . 2 . . . A 104 GLU HB2 . 17948 1 810 . 1 1 104 104 GLU HB3 H 1 2.015 0.000 . 2 . . . A 104 GLU HB3 . 17948 1 811 . 1 1 104 104 GLU HG2 H 1 2.310 0.000 . 1 . . . A 104 GLU HG2 . 17948 1 812 . 1 1 104 104 GLU HG3 H 1 2.310 0.000 . 1 . . . A 104 GLU HG3 . 17948 1 813 . 1 1 104 104 GLU CA C 13 56.232 0.000 . 1 . . . A 104 GLU CA . 17948 1 814 . 1 1 104 104 GLU CB C 13 30.500 0.000 . 1 . . . A 104 GLU CB . 17948 1 815 . 1 1 104 104 GLU CG C 13 36.010 0.000 . 1 . . . A 104 GLU CG . 17948 1 816 . 1 1 104 104 GLU N N 15 122.105 0.000 . 1 . . . A 104 GLU N . 17948 1 817 . 1 1 105 105 ASP H H 1 8.077 0.000 . 1 . . . A 105 ASP H . 17948 1 818 . 1 1 105 105 ASP HA H 1 4.610 0.000 . 1 . . . A 105 ASP HA . 17948 1 819 . 1 1 105 105 ASP HB2 H 1 2.740 0.000 . 2 . . . A 105 ASP HB2 . 17948 1 820 . 1 1 105 105 ASP HB3 H 1 2.700 0.000 . 2 . . . A 105 ASP HB3 . 17948 1 821 . 1 1 105 105 ASP CA C 13 54.520 0.000 . 1 . . . A 105 ASP CA . 17948 1 822 . 1 1 105 105 ASP CB C 13 40.700 0.000 . 1 . . . A 105 ASP CB . 17948 1 823 . 1 1 105 105 ASP N N 15 124.188 0.000 . 1 . . . A 105 ASP N . 17948 1 824 . 1 1 106 106 PRO HA H 1 4.484 0.000 . 1 . . . A 106 PRO HA . 17948 1 825 . 1 1 106 106 PRO HB2 H 1 2.050 0.000 . 2 . . . A 106 PRO HB2 . 17948 1 826 . 1 1 106 106 PRO HB3 H 1 2.323 0.000 . 2 . . . A 106 PRO HB3 . 17948 1 827 . 1 1 106 106 PRO HG2 H 1 1.930 0.000 . 2 . . . A 106 PRO HG2 . 17948 1 828 . 1 1 106 106 PRO HG3 H 1 1.920 0.000 . 2 . . . A 106 PRO HG3 . 17948 1 829 . 1 1 106 106 PRO HD2 H 1 3.640 0.000 . 2 . . . A 106 PRO HD2 . 17948 1 830 . 1 1 106 106 PRO HD3 H 1 3.630 0.000 . 2 . . . A 106 PRO HD3 . 17948 1 831 . 1 1 106 106 PRO CA C 13 63.824 0.000 . 1 . . . A 106 PRO CA . 17948 1 832 . 1 1 106 106 PRO CB C 13 32.200 0.000 . 1 . . . A 106 PRO CB . 17948 1 833 . 1 1 107 107 THR H H 1 8.339 0.004 . 1 . . . A 107 THR H . 17948 1 834 . 1 1 107 107 THR HA H 1 4.273 0.001 . 1 . . . A 107 THR HA . 17948 1 835 . 1 1 107 107 THR HB H 1 4.266 0.008 . 1 . . . A 107 THR HB . 17948 1 836 . 1 1 107 107 THR HG21 H 1 1.254 0.002 . 1 . . . A 107 THR HG21 . 17948 1 837 . 1 1 107 107 THR HG22 H 1 1.254 0.002 . 1 . . . A 107 THR HG22 . 17948 1 838 . 1 1 107 107 THR HG23 H 1 1.254 0.002 . 1 . . . A 107 THR HG23 . 17948 1 839 . 1 1 107 107 THR CA C 13 62.700 0.000 . 1 . . . A 107 THR CA . 17948 1 840 . 1 1 107 107 THR CB C 13 69.400 0.000 . 1 . . . A 107 THR CB . 17948 1 841 . 1 1 107 107 THR CG2 C 13 21.440 0.000 . 1 . . . A 107 THR CG2 . 17948 1 842 . 1 1 107 107 THR N N 15 111.950 0.000 . 1 . . . A 107 THR N . 17948 1 843 . 1 1 108 108 LYS H H 1 7.727 0.005 . 1 . . . A 108 LYS H . 17948 1 844 . 1 1 108 108 LYS HA H 1 4.357 0.000 . 1 . . . A 108 LYS HA . 17948 1 845 . 1 1 108 108 LYS HB2 H 1 1.759 0.000 . 2 . . . A 108 LYS HB2 . 17948 1 846 . 1 1 108 108 LYS HB3 H 1 1.915 0.000 . 2 . . . A 108 LYS HB3 . 17948 1 847 . 1 1 108 108 LYS HG2 H 1 1.380 0.000 . 2 . . . A 108 LYS HG2 . 17948 1 848 . 1 1 108 108 LYS HG3 H 1 1.370 0.000 . 2 . . . A 108 LYS HG3 . 17948 1 849 . 1 1 108 108 LYS HD2 H 1 1.610 0.000 . 1 . . . A 108 LYS HD2 . 17948 1 850 . 1 1 108 108 LYS HD3 H 1 1.610 0.000 . 1 . . . A 108 LYS HD3 . 17948 1 851 . 1 1 108 108 LYS CA C 13 56.000 0.000 . 1 . . . A 108 LYS CA . 17948 1 852 . 1 1 108 108 LYS CB C 13 32.800 0.000 . 1 . . . A 108 LYS CB . 17948 1 853 . 1 1 108 108 LYS N N 15 123.349 0.000 . 1 . . . A 108 LYS N . 17948 1 854 . 1 1 109 109 LYS H H 1 7.685 0.000 . 1 . . . A 109 LYS H . 17948 1 855 . 1 1 109 109 LYS HA H 1 4.280 0.000 . 1 . . . A 109 LYS HA . 17948 1 856 . 1 1 109 109 LYS HB2 H 1 1.790 0.000 . 2 . . . A 109 LYS HB2 . 17948 1 857 . 1 1 109 109 LYS HB3 H 1 1.780 0.000 . 2 . . . A 109 LYS HB3 . 17948 1 858 . 1 1 109 109 LYS HD2 H 1 1.610 0.000 . 1 . . . A 109 LYS HD2 . 17948 1 859 . 1 1 109 109 LYS HD3 H 1 1.610 0.000 . 1 . . . A 109 LYS HD3 . 17948 1 860 . 1 1 109 109 LYS CA C 13 57.517 0.000 . 1 . . . A 109 LYS CA . 17948 1 861 . 1 1 109 109 LYS CB C 13 33.805 0.000 . 1 . . . A 109 LYS CB . 17948 1 862 . 1 1 109 109 LYS N N 15 127.890 0.000 . 1 . . . A 109 LYS N . 17948 1 stop_ save_