data_15217 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15217 _Entry.Title ; NMR SOLUTION STRUCTURE OF YKVR PROTEIN FROM BACILLUS SUBTILIS: NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR358 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-18 _Entry.Accession_date 2007-04-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Swapna S. V.T. . 15217 2 K. 'Chi Ho' K. . . 15217 3 K. Cunningham K. . . 15217 4 L. Ma L. -C. . 15217 5 R. Xiao R. . . 15217 6 M. Baran M. C. . 15217 7 T. Acton T. B. . 15217 8 J. Liu J. . . 15217 9 B. Rost B. . . 15217 10 G. Montelione G. T. . 15217 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 15217 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BACILLUS SUBTILIS' 'BACILLUS SUBTILIS' 15217 NESG NESG 15217 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM' 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM' 15217 'PROTEIN STRUCTURE INITIATIVE' 'PROTEIN STRUCTURE INITIATIVE' 15217 PSI-2 PSI-2 15217 SR358 SR358 15217 'STRUCTURAL GENOMICS' 'STRUCTURAL GENOMICS' 15217 YKVR YKVR 15217 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15217 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 15217 '15N chemical shifts' 101 15217 '1H chemical shifts' 716 15217 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 . . 2009-06-22 2007-04-18 update BMRB 'added time domain data' 15217 1 . . 2007-05-02 2007-04-18 original author 'original release' 15217 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2jn9 rcsb100045 15217 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15217 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Solution Structure of Ykvr Protein from Bacillus Subtilis: Northeast Structural Genomics Consortium Target SR358' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Swapna S. V.T. . 15217 1 2 K. 'Chi Ho' K. . . 15217 1 3 K. Cunningham K. . . 15217 1 4 L. Ma L. -C. . 15217 1 5 R. Xiao R. . . 15217 1 6 M. Baran M. C. . 15217 1 7 T. Acton T. B. . 15217 1 8 J. Liu J. . . 15217 1 9 B. Rost B. . . 15217 1 10 G. Montelione G. T. . 15217 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15217 _Assembly.ID 1 _Assembly.Name 'YKVR Monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'full length protein' 1 $YKVR_PROTEIN A . yes native no no . . . 15217 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YKVR_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode YKVR_PROTEIN _Entity.Entry_ID 15217 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YKVR_PROTEIN _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 ; MVKTLRLNNVTLEMAAYQEE SEPKRKIAFTLNVTSETYHD IAVLLYEKTFNVEVPERDLA FRGEMTNYSTSLTNLYEPGA VSEFYIEITEIDKNADSLEH HHHHH ; _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 105 _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 12246.754 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JN9 . "Nmr Solution Structure Of Ykvr Protein From Bacillus Subtilis: Nesg Target Sr358" . . . . . 100.00 105 100.00 100.00 3.26e-69 . . . . 15217 1 2 no DBJ BAI84986 . "hypothetical protein BSNT_07869 [Bacillus subtilis subsp. natto BEST195]" . . . . . 80.00 84 97.62 98.81 2.56e-51 . . . . 15217 1 3 no DBJ BAM52020 . "hypothetical protein BEST7613_3089 [Synechocystis sp. PCC 6803]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 4 no DBJ BAM57597 . "hypothetical protein BEST7003_1396 [Bacillus subtilis BEST7003]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 5 no EMBL CAB13253 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 6 no EMBL CCU57937 . "conserved hypothetical protein [Bacillus subtilis E1]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 7 no EMBL CEI56537 . "hypothetical protein BS49_15330 [Bacillus subtilis]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 8 no EMBL CEJ76960 . "hypothetical protein BS34A_15320 [Bacillus sp.]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 9 no EMBL CJS27153 . "Protein of uncharacterised function (DUF3219) [Streptococcus pneumoniae]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 10 no GB ADV96396 . "hypothetical protein BSn5_18950 [Bacillus subtilis BSn5]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 11 no GB AFQ57311 . "YkvR [Bacillus subtilis QB928]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 12 no GB AGA22143 . "Hypothetical protein YkvR [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 91.43 96 97.92 98.96 4.08e-60 . . . . 15217 1 13 no GB AGE63229 . "hypothetical protein C663_1420 [Bacillus subtilis XF-1]" . . . . . 80.00 84 97.62 100.00 1.19e-51 . . . . 15217 1 14 no GB AGG60748 . "YkvR [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 15 no REF NP_389263 . "hypothetical protein BSU13800 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 16 no REF WP_003245399 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 1 17 no REF WP_015252208 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 91.43 96 97.92 98.96 4.08e-60 . . . . 15217 1 18 no REF WP_017695059 . "hypothetical protein [Bacillus subtilis]" . . . . . 65.71 72 98.55 98.55 5.41e-40 . . . . 15217 1 19 no REF WP_024572583 . "hypothetical protein [Bacillus subtilis]" . . . . . 91.43 96 97.92 98.96 2.01e-60 . . . . 15217 1 20 no SP O31683 . "RecName: Full=Uncharacterized protein YkvR" . . . . . 91.43 96 98.96 100.00 3.79e-61 . . . . 15217 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 . 15217 1 2 . VAL . 15217 1 3 . LYS . 15217 1 4 . THR . 15217 1 5 . LEU . 15217 1 6 . ARG . 15217 1 7 . LEU . 15217 1 8 . ASN . 15217 1 9 . ASN . 15217 1 10 . VAL . 15217 1 11 . THR . 15217 1 12 . LEU . 15217 1 13 . GLU . 15217 1 14 . MET . 15217 1 15 . ALA . 15217 1 16 . ALA . 15217 1 17 . TYR . 15217 1 18 . GLN . 15217 1 19 . GLU . 15217 1 20 . GLU . 15217 1 21 . SER . 15217 1 22 . GLU . 15217 1 23 . PRO . 15217 1 24 . LYS . 15217 1 25 . ARG . 15217 1 26 . LYS . 15217 1 27 . ILE . 15217 1 28 . ALA . 15217 1 29 . PHE . 15217 1 30 . THR . 15217 1 31 . LEU . 15217 1 32 . ASN . 15217 1 33 . VAL . 15217 1 34 . THR . 15217 1 35 . SER . 15217 1 36 . GLU . 15217 1 37 . THR . 15217 1 38 . TYR . 15217 1 39 . HIS . 15217 1 40 . ASP . 15217 1 41 . ILE . 15217 1 42 . ALA . 15217 1 43 . VAL . 15217 1 44 . LEU . 15217 1 45 . LEU . 15217 1 46 . TYR . 15217 1 47 . GLU . 15217 1 48 . LYS . 15217 1 49 . THR . 15217 1 50 . PHE . 15217 1 51 . ASN . 15217 1 52 . VAL . 15217 1 53 . GLU . 15217 1 54 . VAL . 15217 1 55 . PRO . 15217 1 56 . GLU . 15217 1 57 . ARG . 15217 1 58 . ASP . 15217 1 59 . LEU . 15217 1 60 . ALA . 15217 1 61 . PHE . 15217 1 62 . ARG . 15217 1 63 . GLY . 15217 1 64 . GLU . 15217 1 65 . MET . 15217 1 66 . THR . 15217 1 67 . ASN . 15217 1 68 . TYR . 15217 1 69 . SER . 15217 1 70 . THR . 15217 1 71 . SER . 15217 1 72 . LEU . 15217 1 73 . THR . 15217 1 74 . ASN . 15217 1 75 . LEU . 15217 1 76 . TYR . 15217 1 77 . GLU . 15217 1 78 . PRO . 15217 1 79 . GLY . 15217 1 80 . ALA . 15217 1 81 . VAL . 15217 1 82 . SER . 15217 1 83 . GLU . 15217 1 84 . PHE . 15217 1 85 . TYR . 15217 1 86 . ILE . 15217 1 87 . GLU . 15217 1 88 . ILE . 15217 1 89 . THR . 15217 1 90 . GLU . 15217 1 91 . ILE . 15217 1 92 . ASP . 15217 1 93 . LYS . 15217 1 94 . ASN . 15217 1 95 . ALA . 15217 1 96 . ASP . 15217 1 97 . SER . 15217 1 98 . LEU . 15217 1 99 . GLU . 15217 1 100 . HIS . 15217 1 101 . HIS . 15217 1 102 . HIS . 15217 1 103 . HIS . 15217 1 104 . HIS . 15217 1 105 . HIS . 15217 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 15217 1 . VAL 2 2 15217 1 . LYS 3 3 15217 1 . THR 4 4 15217 1 . LEU 5 5 15217 1 . ARG 6 6 15217 1 . LEU 7 7 15217 1 . ASN 8 8 15217 1 . ASN 9 9 15217 1 . VAL 10 10 15217 1 . THR 11 11 15217 1 . LEU 12 12 15217 1 . GLU 13 13 15217 1 . MET 14 14 15217 1 . ALA 15 15 15217 1 . ALA 16 16 15217 1 . TYR 17 17 15217 1 . GLN 18 18 15217 1 . GLU 19 19 15217 1 . GLU 20 20 15217 1 . SER 21 21 15217 1 . GLU 22 22 15217 1 . PRO 23 23 15217 1 . LYS 24 24 15217 1 . ARG 25 25 15217 1 . LYS 26 26 15217 1 . ILE 27 27 15217 1 . ALA 28 28 15217 1 . PHE 29 29 15217 1 . THR 30 30 15217 1 . LEU 31 31 15217 1 . ASN 32 32 15217 1 . VAL 33 33 15217 1 . THR 34 34 15217 1 . SER 35 35 15217 1 . GLU 36 36 15217 1 . THR 37 37 15217 1 . TYR 38 38 15217 1 . HIS 39 39 15217 1 . ASP 40 40 15217 1 . ILE 41 41 15217 1 . ALA 42 42 15217 1 . VAL 43 43 15217 1 . LEU 44 44 15217 1 . LEU 45 45 15217 1 . TYR 46 46 15217 1 . GLU 47 47 15217 1 . LYS 48 48 15217 1 . THR 49 49 15217 1 . PHE 50 50 15217 1 . ASN 51 51 15217 1 . VAL 52 52 15217 1 . GLU 53 53 15217 1 . VAL 54 54 15217 1 . PRO 55 55 15217 1 . GLU 56 56 15217 1 . ARG 57 57 15217 1 . ASP 58 58 15217 1 . LEU 59 59 15217 1 . ALA 60 60 15217 1 . PHE 61 61 15217 1 . ARG 62 62 15217 1 . GLY 63 63 15217 1 . GLU 64 64 15217 1 . MET 65 65 15217 1 . THR 66 66 15217 1 . ASN 67 67 15217 1 . TYR 68 68 15217 1 . SER 69 69 15217 1 . THR 70 70 15217 1 . SER 71 71 15217 1 . LEU 72 72 15217 1 . THR 73 73 15217 1 . ASN 74 74 15217 1 . LEU 75 75 15217 1 . TYR 76 76 15217 1 . GLU 77 77 15217 1 . PRO 78 78 15217 1 . GLY 79 79 15217 1 . ALA 80 80 15217 1 . VAL 81 81 15217 1 . SER 82 82 15217 1 . GLU 83 83 15217 1 . PHE 84 84 15217 1 . TYR 85 85 15217 1 . ILE 86 86 15217 1 . GLU 87 87 15217 1 . ILE 88 88 15217 1 . THR 89 89 15217 1 . GLU 90 90 15217 1 . ILE 91 91 15217 1 . ASP 92 92 15217 1 . LYS 93 93 15217 1 . ASN 94 94 15217 1 . ALA 95 95 15217 1 . ASP 96 96 15217 1 . SER 97 97 15217 1 . LEU 98 98 15217 1 . GLU 99 99 15217 1 . HIS 100 100 15217 1 . HIS 101 101 15217 1 . HIS 102 102 15217 1 . HIS 103 103 15217 1 . HIS 104 104 15217 1 . HIS 105 105 15217 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 15217 _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 $YKVR_PROTEIN . 1423 organism . 'Bacillus subtilis' Bacteria . . . . Bacillus subtilis . . . . . . . . . . . . . . . . YKVR . . . . 15217 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 15217 _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 $YKVR_PROTEIN . 'recombinant technology' 'ESCHERICHIA COLI' BACTERIA . . ESCHERICHIA COLI BL21(DE3)MAGIC . . . . . . . . . . . . VECTOR . . PET21 . . . . . . 15217 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15217 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.17 MM PROTEIN, 0.02 MM SODIUM AZIDE, 20mM MES, 100mM DTT, 100mM NaCl, 5mM CaCl2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'YKVR PROTEIN' '[U-10% 13C; U-100% 15N]' . . 1 $YKVR_PROTEIN . . 1.17 . . mM . . . . 15217 1 2 'SODIUM AZIDE' 'natural abundance' . . . . . . 0.02 . . mM . . . . 15217 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15217 1 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15217 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15217 1 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15217 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15217 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.17 MM PROTEIN, 0.02 MM SODIUM AZIDE, 20mM MES, 100mM DTT, 100mM NaCl, 5mM CaCl2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'YKVR PROTEIN' '[U-100% 13C; U-100% 15N]' . . 1 $YKVR_PROTEIN . . 1.17 . . mM 0.2 . . . 15217 2 2 'SODIUM AZIDE' 'natural abundance' . . . . . . 0.02 . . mM . . . . 15217 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15217 2 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15217 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15217 2 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15217 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15217 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.17 MM PROTEIN, 0.02 MM SODIUM AZIDE, 20mM MES, 100mM DTT, 100mM NaCl, 5mM CaCl2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'YKVR PROTEIN' '[U-100% 13C; U-100% 15N]' . . 1 $YKVR_PROTEIN . . 1.17 . . mM 0.2 . . . 15217 3 2 'SODIUM AZIDE' 'natural abundance' . . . . . . 0.02 . . mM . . . . 15217 3 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15217 3 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15217 3 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15217 3 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15217 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15217 _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' 105 . mM 15217 1 pH 6.5 . pH 15217 1 pressure 1 . atm 15217 1 temperature 293 . K 15217 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS_1.1_X-PLOR _Software.Sf_category software _Software.Sf_framecode CNS_1.1_X-PLOR _Software.Entry_ID 15217 _Software.ID 1 _Software.Name CNS_1.1,_X-PLOR _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15217 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15217 1 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 15217 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski, Montelione' . . 15217 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15217 2 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15217 _Software.ID 3 _Software.Name AVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Moseley and Montelione' . . 15217 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'validation of assignments' 15217 3 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 15217 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details ; PROTEINS: Struc. Funct. Bioinfomatics 2006, 62:587-603 J. Amer. Chem. Soc., 2006 127:1665-74 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang,Y-J.,Powers,R.,Montelione, G.T.' 'CABM, Rutgers University' . 15217 4 'Huang,Y-J, Tejero,R.,Powers,R.,Montelione, G.T.' 'CABM, Rutgers University' . 15217 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15217 4 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 15217 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15217 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 15217 _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 . . . 15217 1 2 spectrometer_2 BRUKER AVANCE . 600 . . . 15217 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 15217 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' yes 1 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15217 1 2 '3D HNCACB' yes 2 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15217 1 3 '2D 1H-15N HSQC' yes 3 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 4 '2D 1H-13C HSQC' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 5 '3D HNCO' yes 5 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15217 1 6 '3D HBHA(CO)NH' yes 6 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15217 1 7 '3D HBHANH' yes 7 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15217 1 8 '3D HCCH-TOCSY' yes 8 . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 9 '3D 1H-15N NOESY' yes 9 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 10 '3D 1H-13C NOESY (aliph)' yes 10 . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 11 '3D HcccoNH-TOCSY' yes 11 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 12 '3D CccoNH-TOCSY' yes 12 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 13 '3D 1H-13C NOESY (arom)' yes 13 . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15217 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_CBCAcoNH.fid/' . . . . . . . 15217 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_CBCAcoNH.fid/pdata/1/' . . . . . . . 15217 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_CBCAcoNH.fid/' . . . . . . . 15217 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_CBCAcoNH.fid/' . . . . . . . 15217 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_CBCAcoNH.fid/' . . . . . . . 15217 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCACB.fid/' . . . . . . . 15217 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCACB.fid/pdata/1/' . . . . . . . 15217 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCACB.fid/' . . . . . . . 15217 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCACB.fid/' . . . . . . . 15217 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCACB.fid/' . . . . . . . 15217 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_gNhsqc.fid/' . . . . . . . 15217 3 gNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_gNhsqc.fid/' . . . . . . . 15217 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_gNhsqc.fid/' . . . . . . . 15217 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_gNhsqc.fid/' . . . . . . . 15217 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_NC5_gChsqc.fid/' . . . . . . . 15217 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_NC5_gChsqc.fid/' . . . . . . . 15217 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_2D_NC5_gChsqc.fid/' . . . . . . . 15217 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCO.fid/' . . . . . . . 15217 5 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCO.fid/pdata/1/' . . . . . . . 15217 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCO.fid/' . . . . . . . 15217 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCO.fid/' . . . . . . . 15217 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HNCO.fid/' . . . . . . . 15217 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHAcoNH.fid/' . . . . . . . 15217 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHAcoNH.fid/pdata/1/' . . . . . . . 15217 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHAcoNH.fid/' . . . . . . . 15217 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHAcoNH.fid/' . . . . . . . 15217 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHAcoNH.fid/' . . . . . . . 15217 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HBHANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHANH.fid/' . . . . . . . 15217 7 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHANH.fid/pdata/1/' . . . . . . . 15217 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHANH.fid/' . . . . . . . 15217 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHANH.fid/' . . . . . . . 15217 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_B600_3D_HBHANH.fid/' . . . . . . . 15217 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_D2O_HCCHTOCSY.fid/' . . . . . . . 15217 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_D2O_HCCHTOCSY.fid/' . . . . . . . 15217 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_D2O_HCCHTOCSY.fid/' . . . . . . . 15217 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_gnoesyNhsqc.fid/' . . . . . . . 15217 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_gnoesyNhsqc.fid/' . . . . . . . 15217 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_gnoesyNhsqc.fid/' . . . . . . . 15217 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 1H-13C NOESY (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d20_aliph_gnoesyChsqc.fid/' . . . . . . . 15217 10 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d20_aliph_gnoesyChsqc.fid/' . . . . . . . 15217 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d20_aliph_gnoesyChsqc.fid/' . . . . . . . 15217 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d20_aliph_gnoesyChsqc.fid/' . . . . . . . 15217 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HcccoNH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_ghc_co_nh.fid/' . . . . . . . 15217 11 ghc_co_nh.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_ghc_co_nh.fid/' . . . . . . . 15217 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_ghc_co_nh.fid/' . . . . . . . 15217 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_ghc_co_nh.fid/' . . . . . . . 15217 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D CccoNH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_gc_co_nh.fid/' . . . . . . . 15217 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_gc_co_nh.fid/' . . . . . . . 15217 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_3D_gc_co_nh.fid/' . . . . . . . 15217 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 15217 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 1H-13C NOESY (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d2o_arom_gnoesyChsqc.fid/' . . . . . . . 15217 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d2o_arom_gnoesyChsqc.fid/' . . . . . . . 15217 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15217/timedomain_data/SR358_V600_d2o_arom_gnoesyChsqc.fid/' . . . . . . . 15217 13 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 15217 _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 protons . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 15217 1 H 1 DSS protons . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 15217 1 N 15 DSS protons . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 15217 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 15217 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 15217 1 2 '3D HNCACB' . . . 15217 1 4 '2D 1H-13C HSQC' . . . 15217 1 6 '3D HBHA(CO)NH' . . . 15217 1 7 '3D HBHANH' . . . 15217 1 8 '3D HCCH-TOCSY' . . . 15217 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 1 1 MET HA H 1 4.11 0.02 . 1 . . . . 1 MET HA . 15217 1 2 . 1 1 1 1 MET HB2 H 1 2.12 0.02 . 1 . . . . 1 MET HB2 . 15217 1 3 . 1 1 1 1 MET HB3 H 1 2.12 0.02 . 1 . . . . 1 MET HB3 . 15217 1 4 . 1 1 1 1 MET HG2 H 1 2.59 0.02 . 1 . . . . 1 MET HG2 . 15217 1 5 . 1 1 1 1 MET HG3 H 1 2.59 0.02 . 1 . . . . 1 MET HG3 . 15217 1 6 . 1 1 1 1 MET HE1 H 1 2.16 0.02 . 1 . . . . 1 MET HE . 15217 1 7 . 1 1 1 1 MET HE2 H 1 2.16 0.02 . 1 . . . . 1 MET HE . 15217 1 8 . 1 1 1 1 MET HE3 H 1 2.16 0.02 . 1 . . . . 1 MET HE . 15217 1 9 . 1 1 1 1 MET CA C 13 55.03 0.2 . 1 . . . . 1 MET CA . 15217 1 10 . 1 1 1 1 MET CB C 13 33.8 0.2 . 1 . . . . 1 MET CB . 15217 1 11 . 1 1 1 1 MET CG C 13 30.9 0.2 . 1 . . . . 1 MET CG . 15217 1 12 . 1 1 1 1 MET CE C 13 16.9 0.2 . 1 . . . . 1 MET CE . 15217 1 13 . 1 1 2 2 VAL H H 1 8.44 0.02 . 1 . . . . 2 VAL H . 15217 1 14 . 1 1 2 2 VAL HA H 1 3.79 0.02 . 1 . . . . 2 VAL HA . 15217 1 15 . 1 1 2 2 VAL HB H 1 1.56 0.02 . 1 . . . . 2 VAL HB . 15217 1 16 . 1 1 2 2 VAL HG11 H 1 0.11 0.02 . 2 . . . . 2 VAL HG1 . 15217 1 17 . 1 1 2 2 VAL HG12 H 1 0.11 0.02 . 2 . . . . 2 VAL HG1 . 15217 1 18 . 1 1 2 2 VAL HG13 H 1 0.11 0.02 . 2 . . . . 2 VAL HG1 . 15217 1 19 . 1 1 2 2 VAL HG21 H 1 0.63 0.02 . 2 . . . . 2 VAL HG2 . 15217 1 20 . 1 1 2 2 VAL HG22 H 1 0.63 0.02 . 2 . . . . 2 VAL HG2 . 15217 1 21 . 1 1 2 2 VAL HG23 H 1 0.63 0.02 . 2 . . . . 2 VAL HG2 . 15217 1 22 . 1 1 2 2 VAL CA C 13 62.9 0.2 . 1 . . . . 2 VAL CA . 15217 1 23 . 1 1 2 2 VAL CB C 13 32.1 0.2 . 1 . . . . 2 VAL CB . 15217 1 24 . 1 1 2 2 VAL CG1 C 13 21.3 0.2 . 2 . . . . 2 VAL CG1 . 15217 1 25 . 1 1 2 2 VAL CG2 C 13 21.1 0.2 . 2 . . . . 2 VAL CG2 . 15217 1 26 . 1 1 2 2 VAL N N 15 125.8 0.2 . 1 . . . . 2 VAL N . 15217 1 27 . 1 1 3 3 LYS H H 1 8.98 0.02 . 1 . . . . 3 LYS H . 15217 1 28 . 1 1 3 3 LYS HA H 1 4.65 0.02 . 1 . . . . 3 LYS HA . 15217 1 29 . 1 1 3 3 LYS HB2 H 1 1.83 0.02 . 1 . . . . 3 LYS HB2 . 15217 1 30 . 1 1 3 3 LYS HB3 H 1 1.83 0.02 . 1 . . . . 3 LYS HB3 . 15217 1 31 . 1 1 3 3 LYS HG2 H 1 1.45 0.02 . 1 . . . . 3 LYS HG2 . 15217 1 32 . 1 1 3 3 LYS HG3 H 1 1.45 0.02 . 1 . . . . 3 LYS HG3 . 15217 1 33 . 1 1 3 3 LYS HD2 H 1 1.67 0.02 . 2 . . . . 3 LYS HD2 . 15217 1 34 . 1 1 3 3 LYS HD3 H 1 1.635 0.02 . 2 . . . . 3 LYS HD3 . 15217 1 35 . 1 1 3 3 LYS HE2 H 1 2.98 0.02 . 1 . . . . 3 LYS HE2 . 15217 1 36 . 1 1 3 3 LYS HE3 H 1 2.98 0.02 . 1 . . . . 3 LYS HE3 . 15217 1 37 . 1 1 3 3 LYS CA C 13 57.1 0.2 . 1 . . . . 3 LYS CA . 15217 1 38 . 1 1 3 3 LYS CB C 13 36.4 0.2 . 1 . . . . 3 LYS CB . 15217 1 39 . 1 1 3 3 LYS CG C 13 24.7 0.2 . 1 . . . . 3 LYS CG . 15217 1 40 . 1 1 3 3 LYS CD C 13 29.3 0.2 . 1 . . . . 3 LYS CD . 15217 1 41 . 1 1 3 3 LYS CE C 13 41.8 0.2 . 1 . . . . 3 LYS CE . 15217 1 42 . 1 1 3 3 LYS N N 15 124.6 0.2 . 1 . . . . 3 LYS N . 15217 1 43 . 1 1 4 4 THR H H 1 7.74 0.02 . 1 . . . . 4 THR H . 15217 1 44 . 1 1 4 4 THR HA H 1 4.31 0.02 . 1 . . . . 4 THR HA . 15217 1 45 . 1 1 4 4 THR HB H 1 4.02 0.02 . 1 . . . . 4 THR HB . 15217 1 46 . 1 1 4 4 THR HG21 H 1 1.07 0.02 . 1 . . . . 4 THR HG2 . 15217 1 47 . 1 1 4 4 THR HG22 H 1 1.07 0.02 . 1 . . . . 4 THR HG2 . 15217 1 48 . 1 1 4 4 THR HG23 H 1 1.07 0.02 . 1 . . . . 4 THR HG2 . 15217 1 49 . 1 1 4 4 THR CA C 13 64.99 0.2 . 1 . . . . 4 THR CA . 15217 1 50 . 1 1 4 4 THR CB C 13 68.7 0.2 . 1 . . . . 4 THR CB . 15217 1 51 . 1 1 4 4 THR CG2 C 13 22.2 0.2 . 1 . . . . 4 THR CG2 . 15217 1 52 . 1 1 4 4 THR N N 15 117.9 0.2 . 1 . . . . 4 THR N . 15217 1 53 . 1 1 5 5 LEU H H 1 8.46 0.02 . 1 . . . . 5 LEU H . 15217 1 54 . 1 1 5 5 LEU HA H 1 4.85 0.02 . 1 . . . . 5 LEU HA . 15217 1 55 . 1 1 5 5 LEU HB2 H 1 1.41 0.02 . 2 . . . . 5 LEU HB2 . 15217 1 56 . 1 1 5 5 LEU HB3 H 1 1.25 0.02 . 2 . . . . 5 LEU HB3 . 15217 1 57 . 1 1 5 5 LEU HG H 1 0.93 0.02 . 1 . . . . 5 LEU HG . 15217 1 58 . 1 1 5 5 LEU HD11 H 1 0.51 0.02 . 1 . . . . 5 LEU HD1 . 15217 1 59 . 1 1 5 5 LEU HD12 H 1 0.51 0.02 . 1 . . . . 5 LEU HD1 . 15217 1 60 . 1 1 5 5 LEU HD13 H 1 0.51 0.02 . 1 . . . . 5 LEU HD1 . 15217 1 61 . 1 1 5 5 LEU HD21 H 1 -0.12 0.02 . 1 . . . . 5 LEU HD2 . 15217 1 62 . 1 1 5 5 LEU HD22 H 1 -0.12 0.02 . 1 . . . . 5 LEU HD2 . 15217 1 63 . 1 1 5 5 LEU HD23 H 1 -0.12 0.02 . 1 . . . . 5 LEU HD2 . 15217 1 64 . 1 1 5 5 LEU CA C 13 52.7 0.2 . 1 . . . . 5 LEU CA . 15217 1 65 . 1 1 5 5 LEU CB C 13 45.19 0.2 . 1 . . . . 5 LEU CB . 15217 1 66 . 1 1 5 5 LEU CG C 13 27.61 0.2 . 1 . . . . 5 LEU CG . 15217 1 67 . 1 1 5 5 LEU CD1 C 13 22.99 0.2 . 1 . . . . 5 LEU CD1 . 15217 1 68 . 1 1 5 5 LEU CD2 C 13 26.2 0.2 . 1 . . . . 5 LEU CD2 . 15217 1 69 . 1 1 5 5 LEU N N 15 130.6 0.2 . 1 . . . . 5 LEU N . 15217 1 70 . 1 1 6 6 ARG H H 1 9.05 0.02 . 1 . . . . 6 ARG H . 15217 1 71 . 1 1 6 6 ARG HA H 1 5.50 0.02 . 1 . . . . 6 ARG HA . 15217 1 72 . 1 1 6 6 ARG HB2 H 1 1.40 0.02 . 2 . . . . 6 ARG HB2 . 15217 1 73 . 1 1 6 6 ARG HB3 H 1 1.68 0.02 . 2 . . . . 6 ARG HB3 . 15217 1 74 . 1 1 6 6 ARG HG2 H 1 1.47 0.02 . 2 . . . . 6 ARG HG2 . 15217 1 75 . 1 1 6 6 ARG HG3 H 1 1.20 0.02 . 2 . . . . 6 ARG HG3 . 15217 1 76 . 1 1 6 6 ARG HD2 H 1 2.99 0.02 . 2 . . . . 6 ARG HD2 . 15217 1 77 . 1 1 6 6 ARG HD3 H 1 3.06 0.02 . 2 . . . . 6 ARG HD3 . 15217 1 78 . 1 1 6 6 ARG HE H 1 7.07 0.02 . 1 . . . . 6 ARG HE . 15217 1 79 . 1 1 6 6 ARG CA C 13 54.35 0.2 . 1 . . . . 6 ARG CA . 15217 1 80 . 1 1 6 6 ARG CB C 13 33.08 0.2 . 1 . . . . 6 ARG CB . 15217 1 81 . 1 1 6 6 ARG CG C 13 28.2 0.2 . 1 . . . . 6 ARG CG . 15217 1 82 . 1 1 6 6 ARG CD C 13 43.5 0.2 . 1 . . . . 6 ARG CD . 15217 1 83 . 1 1 6 6 ARG N N 15 123.1 0.2 . 1 . . . . 6 ARG N . 15217 1 84 . 1 1 6 6 ARG NE N 15 84.3 0.2 . 1 . . . . 6 ARG NE . 15217 1 85 . 1 1 7 7 LEU H H 1 8.29 0.02 . 1 . . . . 7 LEU H . 15217 1 86 . 1 1 7 7 LEU HA H 1 4.87 0.02 . 1 . . . . 7 LEU HA . 15217 1 87 . 1 1 7 7 LEU HB2 H 1 1.586 0.02 . 2 . . . . 7 LEU HB2 . 15217 1 88 . 1 1 7 7 LEU HB3 H 1 0.93 0.02 . 2 . . . . 7 LEU HB3 . 15217 1 89 . 1 1 7 7 LEU HG H 1 1.19 0.02 . 1 . . . . 7 LEU HG . 15217 1 90 . 1 1 7 7 LEU HD11 H 1 0.23 0.02 . 1 . . . . 7 LEU HD1 . 15217 1 91 . 1 1 7 7 LEU HD12 H 1 0.23 0.02 . 1 . . . . 7 LEU HD1 . 15217 1 92 . 1 1 7 7 LEU HD13 H 1 0.23 0.02 . 1 . . . . 7 LEU HD1 . 15217 1 93 . 1 1 7 7 LEU HD21 H 1 0.496 0.02 . 1 . . . . 7 LEU HD2 . 15217 1 94 . 1 1 7 7 LEU HD22 H 1 0.496 0.02 . 1 . . . . 7 LEU HD2 . 15217 1 95 . 1 1 7 7 LEU HD23 H 1 0.496 0.02 . 1 . . . . 7 LEU HD2 . 15217 1 96 . 1 1 7 7 LEU CA C 13 52.27 0.2 . 1 . . . . 7 LEU CA . 15217 1 97 . 1 1 7 7 LEU CB C 13 43.8 0.2 . 1 . . . . 7 LEU CB . 15217 1 98 . 1 1 7 7 LEU CG C 13 25.97 0.2 . 1 . . . . 7 LEU CG . 15217 1 99 . 1 1 7 7 LEU CD1 C 13 24.5 0.2 . 1 . . . . 7 LEU CD1 . 15217 1 100 . 1 1 7 7 LEU CD2 C 13 24.9 0.2 . 1 . . . . 7 LEU CD2 . 15217 1 101 . 1 1 7 7 LEU N N 15 121.3 0.2 . 1 . . . . 7 LEU N . 15217 1 102 . 1 1 8 8 ASN H H 1 9.22 0.02 . 1 . . . . 8 ASN H . 15217 1 103 . 1 1 8 8 ASN HA H 1 4.58 0.02 . 1 . . . . 8 ASN HA . 15217 1 104 . 1 1 8 8 ASN HB2 H 1 3.14 0.02 . 2 . . . . 8 ASN HB2 . 15217 1 105 . 1 1 8 8 ASN HB3 H 1 3.07 0.02 . 2 . . . . 8 ASN HB3 . 15217 1 106 . 1 1 8 8 ASN HD21 H 1 7.02 0.02 . 2 . . . . 8 ASN HD21 . 15217 1 107 . 1 1 8 8 ASN HD22 H 1 7.78 0.02 . 2 . . . . 8 ASN HD22 . 15217 1 108 . 1 1 8 8 ASN CA C 13 54.18 0.2 . 1 . . . . 8 ASN CA . 15217 1 109 . 1 1 8 8 ASN CB C 13 36.4 0.2 . 1 . . . . 8 ASN CB . 15217 1 110 . 1 1 8 8 ASN N N 15 121.7 0.2 . 1 . . . . 8 ASN N . 15217 1 111 . 1 1 8 8 ASN ND2 N 15 115.1 0.2 . 1 . . . . 8 ASN ND2 . 15217 1 112 . 1 1 9 9 ASN HA H 1 4.18 0.02 . 1 . . . . 9 ASN HA . 15217 1 113 . 1 1 9 9 ASN HB2 H 1 3.00 0.02 . 2 . . . . 9 ASN HB2 . 15217 1 114 . 1 1 9 9 ASN HB3 H 1 3.10 0.02 . 2 . . . . 9 ASN HB3 . 15217 1 115 . 1 1 9 9 ASN HD21 H 1 6.89 0.02 . 2 . . . . 9 ASN HD21 . 15217 1 116 . 1 1 9 9 ASN HD22 H 1 7.61 0.02 . 2 . . . . 9 ASN HD22 . 15217 1 117 . 1 1 9 9 ASN CA C 13 54.8 0.2 . 1 . . . . 9 ASN CA . 15217 1 118 . 1 1 9 9 ASN CB C 13 38.2 0.2 . 1 . . . . 9 ASN CB . 15217 1 119 . 1 1 9 9 ASN ND2 N 15 113.0 0.2 . 1 . . . . 9 ASN ND2 . 15217 1 120 . 1 1 10 10 VAL H H 1 8.22 0.02 . 1 . . . . 10 VAL H . 15217 1 121 . 1 1 10 10 VAL HA H 1 4.09 0.02 . 1 . . . . 10 VAL HA . 15217 1 122 . 1 1 10 10 VAL HB H 1 2.34 0.02 . 1 . . . . 10 VAL HB . 15217 1 123 . 1 1 10 10 VAL HG11 H 1 0.87 0.02 . 1 . . . . 10 VAL HG1 . 15217 1 124 . 1 1 10 10 VAL HG12 H 1 0.87 0.02 . 1 . . . . 10 VAL HG1 . 15217 1 125 . 1 1 10 10 VAL HG13 H 1 0.87 0.02 . 1 . . . . 10 VAL HG1 . 15217 1 126 . 1 1 10 10 VAL HG21 H 1 1.00 0.02 . 1 . . . . 10 VAL HG2 . 15217 1 127 . 1 1 10 10 VAL HG22 H 1 1.00 0.02 . 1 . . . . 10 VAL HG2 . 15217 1 128 . 1 1 10 10 VAL HG23 H 1 1.00 0.02 . 1 . . . . 10 VAL HG2 . 15217 1 129 . 1 1 10 10 VAL CA C 13 62.82 0.2 . 1 . . . . 10 VAL CA . 15217 1 130 . 1 1 10 10 VAL CB C 13 32.45 0.2 . 1 . . . . 10 VAL CB . 15217 1 131 . 1 1 10 10 VAL CG1 C 13 20.95 0.2 . 1 . . . . 10 VAL CG1 . 15217 1 132 . 1 1 10 10 VAL CG2 C 13 21.54 0.2 . 1 . . . . 10 VAL CG2 . 15217 1 133 . 1 1 10 10 VAL N N 15 124.5 0.2 . 1 . . . . 10 VAL N . 15217 1 134 . 1 1 11 11 THR H H 1 8.496 0.02 . 1 . . . . 11 THR H . 15217 1 135 . 1 1 11 11 THR HA H 1 4.67 0.02 . 1 . . . . 11 THR HA . 15217 1 136 . 1 1 11 11 THR HB H 1 4.006 0.02 . 1 . . . . 11 THR HB . 15217 1 137 . 1 1 11 11 THR HG21 H 1 1.15 0.02 . 1 . . . . 11 THR HG2 . 15217 1 138 . 1 1 11 11 THR HG22 H 1 1.15 0.02 . 1 . . . . 11 THR HG2 . 15217 1 139 . 1 1 11 11 THR HG23 H 1 1.15 0.02 . 1 . . . . 11 THR HG2 . 15217 1 140 . 1 1 11 11 THR CA C 13 63.83 0.2 . 1 . . . . 11 THR CA . 15217 1 141 . 1 1 11 11 THR CB C 13 68.98 0.2 . 1 . . . . 11 THR CB . 15217 1 142 . 1 1 11 11 THR CG2 C 13 22.26 0.2 . 1 . . . . 11 THR CG2 . 15217 1 143 . 1 1 11 11 THR N N 15 123.6 0.2 . 1 . . . . 11 THR N . 15217 1 144 . 1 1 12 12 LEU H H 1 9.70 0.02 . 1 . . . . 12 LEU H . 15217 1 145 . 1 1 12 12 LEU HA H 1 4.67 0.02 . 1 . . . . 12 LEU HA . 15217 1 146 . 1 1 12 12 LEU HB2 H 1 1.34 0.02 . 2 . . . . 12 LEU HB2 . 15217 1 147 . 1 1 12 12 LEU HB3 H 1 1.41 0.02 . 2 . . . . 12 LEU HB3 . 15217 1 148 . 1 1 12 12 LEU HG H 1 1.483 0.02 . 1 . . . . 12 LEU HG . 15217 1 149 . 1 1 12 12 LEU HD11 H 1 0.676 0.02 . 1 . . . . 12 LEU HD1 . 15217 1 150 . 1 1 12 12 LEU HD12 H 1 0.676 0.02 . 1 . . . . 12 LEU HD1 . 15217 1 151 . 1 1 12 12 LEU HD13 H 1 0.676 0.02 . 1 . . . . 12 LEU HD1 . 15217 1 152 . 1 1 12 12 LEU HD21 H 1 0.83 0.02 . 1 . . . . 12 LEU HD2 . 15217 1 153 . 1 1 12 12 LEU HD22 H 1 0.83 0.02 . 1 . . . . 12 LEU HD2 . 15217 1 154 . 1 1 12 12 LEU HD23 H 1 0.83 0.02 . 1 . . . . 12 LEU HD2 . 15217 1 155 . 1 1 12 12 LEU CA C 13 53.48 0.2 . 1 . . . . 12 LEU CA . 15217 1 156 . 1 1 12 12 LEU CB C 13 46.06 0.2 . 1 . . . . 12 LEU CB . 15217 1 157 . 1 1 12 12 LEU CG C 13 26.87 0.2 . 1 . . . . 12 LEU CG . 15217 1 158 . 1 1 12 12 LEU CD1 C 13 26.04 0.2 . 1 . . . . 12 LEU CD1 . 15217 1 159 . 1 1 12 12 LEU CD2 C 13 23.69 0.2 . 1 . . . . 12 LEU CD2 . 15217 1 160 . 1 1 12 12 LEU N N 15 129.9 0.2 . 1 . . . . 12 LEU N . 15217 1 161 . 1 1 13 13 GLU H H 1 8.50 0.02 . 1 . . . . 13 GLU H . 15217 1 162 . 1 1 13 13 GLU HA H 1 4.85 0.02 . 1 . . . . 13 GLU HA . 15217 1 163 . 1 1 13 13 GLU HB2 H 1 1.87 0.02 . 1 . . . . 13 GLU HB2 . 15217 1 164 . 1 1 13 13 GLU HB3 H 1 1.87 0.02 . 1 . . . . 13 GLU HB3 . 15217 1 165 . 1 1 13 13 GLU HG2 H 1 2.00 0.02 . 2 . . . . 13 GLU HG2 . 15217 1 166 . 1 1 13 13 GLU HG3 H 1 2.18 0.02 . 2 . . . . 13 GLU HG3 . 15217 1 167 . 1 1 13 13 GLU CA C 13 54.5 0.2 . 1 . . . . 13 GLU CA . 15217 1 168 . 1 1 13 13 GLU CB C 13 31.6 0.2 . 1 . . . . 13 GLU CB . 15217 1 169 . 1 1 13 13 GLU CG C 13 36.96 0.2 . 1 . . . . 13 GLU CG . 15217 1 170 . 1 1 13 13 GLU N N 15 121.1 0.2 . 1 . . . . 13 GLU N . 15217 1 171 . 1 1 14 14 MET H H 1 9.34 0.02 . 1 . . . . 14 MET H . 15217 1 172 . 1 1 14 14 MET HA H 1 4.75 0.02 . 1 . . . . 14 MET HA . 15217 1 173 . 1 1 14 14 MET HB2 H 1 1.89 0.02 . 2 . . . . 14 MET HB2 . 15217 1 174 . 1 1 14 14 MET HB3 H 1 2.186 0.02 . 2 . . . . 14 MET HB3 . 15217 1 175 . 1 1 14 14 MET HG2 H 1 2.17 0.02 . 2 . . . . 14 MET HG2 . 15217 1 176 . 1 1 14 14 MET HG3 H 1 1.79 0.02 . 2 . . . . 14 MET HG3 . 15217 1 177 . 1 1 14 14 MET HE1 H 1 1.288 0.02 . 1 . . . . 14 MET HE . 15217 1 178 . 1 1 14 14 MET HE2 H 1 1.288 0.02 . 1 . . . . 14 MET HE . 15217 1 179 . 1 1 14 14 MET HE3 H 1 1.288 0.02 . 1 . . . . 14 MET HE . 15217 1 180 . 1 1 14 14 MET CA C 13 55.38 0.2 . 1 . . . . 14 MET CA . 15217 1 181 . 1 1 14 14 MET CB C 13 33.823 0.2 . 1 . . . . 14 MET CB . 15217 1 182 . 1 1 14 14 MET CG C 13 31.71 0.2 . 1 . . . . 14 MET CG . 15217 1 183 . 1 1 14 14 MET CE C 13 16.31 0.2 . 1 . . . . 14 MET CE . 15217 1 184 . 1 1 14 14 MET N N 15 124.3 0.2 . 1 . . . . 14 MET N . 15217 1 185 . 1 1 15 15 ALA H H 1 9.04 0.02 . 1 . . . . 15 ALA H . 15217 1 186 . 1 1 15 15 ALA HA H 1 4.49 0.02 . 1 . . . . 15 ALA HA . 15217 1 187 . 1 1 15 15 ALA HB1 H 1 1.402 0.02 . 1 . . . . 15 ALA HB . 15217 1 188 . 1 1 15 15 ALA HB2 H 1 1.402 0.02 . 1 . . . . 15 ALA HB . 15217 1 189 . 1 1 15 15 ALA HB3 H 1 1.402 0.02 . 1 . . . . 15 ALA HB . 15217 1 190 . 1 1 15 15 ALA CA C 13 52.57 0.2 . 1 . . . . 15 ALA CA . 15217 1 191 . 1 1 15 15 ALA CB C 13 19.87 0.2 . 1 . . . . 15 ALA CB . 15217 1 192 . 1 1 15 15 ALA N N 15 125.9 0.2 . 1 . . . . 15 ALA N . 15217 1 193 . 1 1 16 16 ALA H H 1 7.88 0.02 . 1 . . . . 16 ALA H . 15217 1 194 . 1 1 16 16 ALA HA H 1 4.526 0.02 . 1 . . . . 16 ALA HA . 15217 1 195 . 1 1 16 16 ALA HB1 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 15217 1 196 . 1 1 16 16 ALA HB2 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 15217 1 197 . 1 1 16 16 ALA HB3 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 15217 1 198 . 1 1 16 16 ALA CA C 13 52.58 0.2 . 1 . . . . 16 ALA CA . 15217 1 199 . 1 1 16 16 ALA CB C 13 21.4 0.2 . 1 . . . . 16 ALA CB . 15217 1 200 . 1 1 16 16 ALA N N 15 119.4 0.2 . 1 . . . . 16 ALA N . 15217 1 201 . 1 1 17 17 TYR H H 1 8.27 0.02 . 1 . . . . 17 TYR H . 15217 1 202 . 1 1 17 17 TYR HA H 1 5.29 0.02 . 1 . . . . 17 TYR HA . 15217 1 203 . 1 1 17 17 TYR HB2 H 1 3.23 0.02 . 2 . . . . 17 TYR HB2 . 15217 1 204 . 1 1 17 17 TYR HB3 H 1 2.68 0.02 . 2 . . . . 17 TYR HB3 . 15217 1 205 . 1 1 17 17 TYR HD1 H 1 7.17 0.02 . 1 . . . . 17 TYR HD1 . 15217 1 206 . 1 1 17 17 TYR HD2 H 1 7.17 0.02 . 1 . . . . 17 TYR HD2 . 15217 1 207 . 1 1 17 17 TYR HE1 H 1 6.64 0.02 . 1 . . . . 17 TYR HE1 . 15217 1 208 . 1 1 17 17 TYR HE2 H 1 6.64 0.02 . 1 . . . . 17 TYR HE2 . 15217 1 209 . 1 1 17 17 TYR CA C 13 59.16 0.2 . 1 . . . . 17 TYR CA . 15217 1 210 . 1 1 17 17 TYR CB C 13 41.7 0.2 . 1 . . . . 17 TYR CB . 15217 1 211 . 1 1 17 17 TYR CD1 C 13 133.1 0.2 . 1 . . . . 17 TYR CD1 . 15217 1 212 . 1 1 17 17 TYR CD2 C 13 133.1 0.2 . 1 . . . . 17 TYR CD2 . 15217 1 213 . 1 1 17 17 TYR CE1 C 13 118.0 0.2 . 1 . . . . 17 TYR CE1 . 15217 1 214 . 1 1 17 17 TYR CE2 C 13 118.0 0.2 . 1 . . . . 17 TYR CE2 . 15217 1 215 . 1 1 17 17 TYR N N 15 120.3 0.2 . 1 . . . . 17 TYR N . 15217 1 216 . 1 1 18 18 GLN H H 1 8.61 0.02 . 1 . . . . 18 GLN H . 15217 1 217 . 1 1 18 18 GLN HA H 1 4.35 0.02 . 1 . . . . 18 GLN HA . 15217 1 218 . 1 1 18 18 GLN HB2 H 1 2.02 0.02 . 2 . . . . 18 GLN HB2 . 15217 1 219 . 1 1 18 18 GLN HB3 H 1 1.89 0.02 . 2 . . . . 18 GLN HB3 . 15217 1 220 . 1 1 18 18 GLN HG2 H 1 2.32 0.02 . 1 . . . . 18 GLN HG2 . 15217 1 221 . 1 1 18 18 GLN HG3 H 1 2.32 0.02 . 1 . . . . 18 GLN HG3 . 15217 1 222 . 1 1 18 18 GLN HE21 H 1 7.583 0.02 . 2 . . . . 18 GLN HE21 . 15217 1 223 . 1 1 18 18 GLN HE22 H 1 6.80 0.02 . 2 . . . . 18 GLN HE22 . 15217 1 224 . 1 1 18 18 GLN CA C 13 54.92 0.2 . 1 . . . . 18 GLN CA . 15217 1 225 . 1 1 18 18 GLN CB C 13 32.57 0.2 . 1 . . . . 18 GLN CB . 15217 1 226 . 1 1 18 18 GLN CG C 13 33.91 0.2 . 1 . . . . 18 GLN CG . 15217 1 227 . 1 1 18 18 GLN N N 15 128.0 0.2 . 1 . . . . 18 GLN N . 15217 1 228 . 1 1 18 18 GLN NE2 N 15 112.3 0.2 . 1 . . . . 18 GLN NE2 . 15217 1 229 . 1 1 19 19 GLU H H 1 8.37 0.02 . 1 . . . . 19 GLU H . 15217 1 230 . 1 1 19 19 GLU HA H 1 5.015 0.02 . 1 . . . . 19 GLU HA . 15217 1 231 . 1 1 19 19 GLU HB2 H 1 2.05 0.02 . 2 . . . . 19 GLU HB2 . 15217 1 232 . 1 1 19 19 GLU HB3 H 1 2.00 0.02 . 2 . . . . 19 GLU HB3 . 15217 1 233 . 1 1 19 19 GLU HG2 H 1 2.05 0.02 . 2 . . . . 19 GLU HG2 . 15217 1 234 . 1 1 19 19 GLU HG3 H 1 2.17 0.02 . 2 . . . . 19 GLU HG3 . 15217 1 235 . 1 1 19 19 GLU CA C 13 54.7 0.2 . 1 . . . . 19 GLU CA . 15217 1 236 . 1 1 19 19 GLU CB C 13 34.8 0.2 . 1 . . . . 19 GLU CB . 15217 1 237 . 1 1 19 19 GLU CG C 13 36.5 0.2 . 1 . . . . 19 GLU CG . 15217 1 238 . 1 1 19 19 GLU N N 15 122.9 0.2 . 1 . . . . 19 GLU N . 15217 1 239 . 1 1 20 20 GLU H H 1 8.92 0.02 . 1 . . . . 20 GLU H . 15217 1 240 . 1 1 20 20 GLU HA H 1 4.74 0.02 . 1 . . . . 20 GLU HA . 15217 1 241 . 1 1 20 20 GLU HB2 H 1 1.87 0.02 . 2 . . . . 20 GLU HB2 . 15217 1 242 . 1 1 20 20 GLU HB3 H 1 2.165 0.02 . 2 . . . . 20 GLU HB3 . 15217 1 243 . 1 1 20 20 GLU HG2 H 1 2.25 0.02 . 2 . . . . 20 GLU HG2 . 15217 1 244 . 1 1 20 20 GLU HG3 H 1 2.28 0.02 . 2 . . . . 20 GLU HG3 . 15217 1 245 . 1 1 20 20 GLU CA C 13 55.1 0.2 . 1 . . . . 20 GLU CA . 15217 1 246 . 1 1 20 20 GLU CB C 13 33.8 0.2 . 1 . . . . 20 GLU CB . 15217 1 247 . 1 1 20 20 GLU CG C 13 36.2 0.2 . 1 . . . . 20 GLU CG . 15217 1 248 . 1 1 20 20 GLU N N 15 123.3 0.2 . 1 . . . . 20 GLU N . 15217 1 249 . 1 1 21 21 SER H H 1 9.07 0.02 . 1 . . . . 21 SER H . 15217 1 250 . 1 1 21 21 SER HA H 1 4.43 0.02 . 1 . . . . 21 SER HA . 15217 1 251 . 1 1 21 21 SER HB2 H 1 3.76 0.02 . 2 . . . . 21 SER HB2 . 15217 1 252 . 1 1 21 21 SER HB3 H 1 3.83 0.02 . 2 . . . . 21 SER HB3 . 15217 1 253 . 1 1 21 21 SER CA C 13 59.3 0.2 . 1 . . . . 21 SER CA . 15217 1 254 . 1 1 21 21 SER CB C 13 65.0 0.2 . 1 . . . . 21 SER CB . 15217 1 255 . 1 1 21 21 SER N N 15 114.8 0.2 . 1 . . . . 21 SER N . 15217 1 256 . 1 1 22 22 GLU H H 1 7.67 0.02 . 1 . . . . 22 GLU H . 15217 1 257 . 1 1 22 22 GLU HA H 1 4.50 0.02 . 1 . . . . 22 GLU HA . 15217 1 258 . 1 1 22 22 GLU HB2 H 1 1.95 0.02 . 2 . . . . 22 GLU HB2 . 15217 1 259 . 1 1 22 22 GLU HB3 H 1 1.81 0.02 . 2 . . . . 22 GLU HB3 . 15217 1 260 . 1 1 22 22 GLU HG2 H 1 2.16 0.02 . 1 . . . . 22 GLU HG2 . 15217 1 261 . 1 1 22 22 GLU HG3 H 1 2.16 0.02 . 1 . . . . 22 GLU HG3 . 15217 1 262 . 1 1 22 22 GLU CA C 13 53.1 0.2 . 1 . . . . 22 GLU CA . 15217 1 263 . 1 1 22 22 GLU CB C 13 31.75 0.2 . 1 . . . . 22 GLU CB . 15217 1 264 . 1 1 22 22 GLU CG C 13 35.4 0.2 . 1 . . . . 22 GLU CG . 15217 1 265 . 1 1 22 22 GLU N N 15 119.913 0.2 . 1 . . . . 22 GLU N . 15217 1 266 . 1 1 23 23 PRO HA H 1 4.636 0.02 . 1 . . . . 23 PRO HA . 15217 1 267 . 1 1 23 23 PRO HB2 H 1 2.16 0.02 . 2 . . . . 23 PRO HB2 . 15217 1 268 . 1 1 23 23 PRO HB3 H 1 2.42 0.02 . 2 . . . . 23 PRO HB3 . 15217 1 269 . 1 1 23 23 PRO HG2 H 1 1.81 0.02 . 2 . . . . 23 PRO HG2 . 15217 1 270 . 1 1 23 23 PRO HG3 H 1 2.05 0.02 . 2 . . . . 23 PRO HG3 . 15217 1 271 . 1 1 23 23 PRO HD2 H 1 3.84 0.02 . 2 . . . . 23 PRO HD2 . 15217 1 272 . 1 1 23 23 PRO HD3 H 1 3.48 0.02 . 2 . . . . 23 PRO HD3 . 15217 1 273 . 1 1 23 23 PRO CA C 13 64.2 0.2 . 1 . . . . 23 PRO CA . 15217 1 274 . 1 1 23 23 PRO CB C 13 34.2 0.2 . 1 . . . . 23 PRO CB . 15217 1 275 . 1 1 23 23 PRO CG C 13 25.07 0.2 . 1 . . . . 23 PRO CG . 15217 1 276 . 1 1 23 23 PRO CD C 13 50.03 0.2 . 1 . . . . 23 PRO CD . 15217 1 277 . 1 1 24 24 LYS H H 1 7.37 0.02 . 1 . . . . 24 LYS H . 15217 1 278 . 1 1 24 24 LYS HA H 1 4.48 0.02 . 1 . . . . 24 LYS HA . 15217 1 279 . 1 1 24 24 LYS HB2 H 1 1.48 0.02 . 2 . . . . 24 LYS HB2 . 15217 1 280 . 1 1 24 24 LYS HB3 H 1 1.77 0.02 . 2 . . . . 24 LYS HB3 . 15217 1 281 . 1 1 24 24 LYS HG2 H 1 1.25 0.02 . 2 . . . . 24 LYS HG2 . 15217 1 282 . 1 1 24 24 LYS HG3 H 1 1.34 0.02 . 2 . . . . 24 LYS HG3 . 15217 1 283 . 1 1 24 24 LYS HD2 H 1 1.63 0.02 . 2 . . . . 24 LYS HD2 . 15217 1 284 . 1 1 24 24 LYS HD3 H 1 1.71 0.02 . 2 . . . . 24 LYS HD3 . 15217 1 285 . 1 1 24 24 LYS HE2 H 1 2.97 0.02 . 1 . . . . 24 LYS HE2 . 15217 1 286 . 1 1 24 24 LYS HE3 H 1 2.97 0.02 . 1 . . . . 24 LYS HE3 . 15217 1 287 . 1 1 24 24 LYS CA C 13 54.2 0.2 . 1 . . . . 24 LYS CA . 15217 1 288 . 1 1 24 24 LYS CB C 13 36.4 0.2 . 1 . . . . 24 LYS CB . 15217 1 289 . 1 1 24 24 LYS CG C 13 24.7 0.2 . 1 . . . . 24 LYS CG . 15217 1 290 . 1 1 24 24 LYS CD C 13 29.4 0.2 . 1 . . . . 24 LYS CD . 15217 1 291 . 1 1 24 24 LYS CE C 13 42.0 0.2 . 1 . . . . 24 LYS CE . 15217 1 292 . 1 1 24 24 LYS N N 15 119.4 0.2 . 1 . . . . 24 LYS N . 15217 1 293 . 1 1 25 25 ARG H H 1 8.73 0.02 . 1 . . . . 25 ARG H . 15217 1 294 . 1 1 25 25 ARG HA H 1 4.47 0.02 . 1 . . . . 25 ARG HA . 15217 1 295 . 1 1 25 25 ARG HB2 H 1 1.17 0.02 . 2 . . . . 25 ARG HB2 . 15217 1 296 . 1 1 25 25 ARG HB3 H 1 1.443 0.02 . 2 . . . . 25 ARG HB3 . 15217 1 297 . 1 1 25 25 ARG HG2 H 1 1.135 0.02 . 2 . . . . 25 ARG HG2 . 15217 1 298 . 1 1 25 25 ARG HG3 H 1 1.37 0.02 . 2 . . . . 25 ARG HG3 . 15217 1 299 . 1 1 25 25 ARG HD2 H 1 2.75 0.02 . 2 . . . . 25 ARG HD2 . 15217 1 300 . 1 1 25 25 ARG HD3 H 1 3.08 0.02 . 2 . . . . 25 ARG HD3 . 15217 1 301 . 1 1 25 25 ARG HE H 1 7.44 0.02 . 1 . . . . 25 ARG HE . 15217 1 302 . 1 1 25 25 ARG CA C 13 57.0 0.2 . 1 . . . . 25 ARG CA . 15217 1 303 . 1 1 25 25 ARG CB C 13 28.9 0.2 . 1 . . . . 25 ARG CB . 15217 1 304 . 1 1 25 25 ARG CG C 13 26.7 0.2 . 1 . . . . 25 ARG CG . 15217 1 305 . 1 1 25 25 ARG CD C 13 43.23 0.2 . 1 . . . . 25 ARG CD . 15217 1 306 . 1 1 25 25 ARG N N 15 121.9 0.2 . 1 . . . . 25 ARG N . 15217 1 307 . 1 1 25 25 ARG NE N 15 83.6 0.2 . 1 . . . . 25 ARG NE . 15217 1 308 . 1 1 26 26 LYS H H 1 8.22 0.02 . 1 . . . . 26 LYS H . 15217 1 309 . 1 1 26 26 LYS HA H 1 5.27 0.02 . 1 . . . . 26 LYS HA . 15217 1 310 . 1 1 26 26 LYS HB2 H 1 1.64 0.02 . 2 . . . . 26 LYS HB2 . 15217 1 311 . 1 1 26 26 LYS HB3 H 1 1.54 0.02 . 2 . . . . 26 LYS HB3 . 15217 1 312 . 1 1 26 26 LYS HG2 H 1 1.09 0.02 . 2 . . . . 26 LYS HG2 . 15217 1 313 . 1 1 26 26 LYS HG3 H 1 1.43 0.02 . 2 . . . . 26 LYS HG3 . 15217 1 314 . 1 1 26 26 LYS HD2 H 1 1.466 0.02 . 1 . . . . 26 LYS HD2 . 15217 1 315 . 1 1 26 26 LYS HD3 H 1 1.466 0.02 . 1 . . . . 26 LYS HD3 . 15217 1 316 . 1 1 26 26 LYS HE2 H 1 2.719 0.02 . 2 . . . . 26 LYS HE2 . 15217 1 317 . 1 1 26 26 LYS HE3 H 1 2.74 0.02 . 2 . . . . 26 LYS HE3 . 15217 1 318 . 1 1 26 26 LYS CA C 13 55.0 0.2 . 1 . . . . 26 LYS CA . 15217 1 319 . 1 1 26 26 LYS CB C 13 36.9 0.2 . 1 . . . . 26 LYS CB . 15217 1 320 . 1 1 26 26 LYS CG C 13 24.0 0.2 . 1 . . . . 26 LYS CG . 15217 1 321 . 1 1 26 26 LYS CD C 13 29.86 0.2 . 1 . . . . 26 LYS CD . 15217 1 322 . 1 1 26 26 LYS CE C 13 41.9 0.2 . 1 . . . . 26 LYS CE . 15217 1 323 . 1 1 26 26 LYS N N 15 124.5 0.2 . 1 . . . . 26 LYS N . 15217 1 324 . 1 1 27 27 ILE H H 1 9.10 0.02 . 1 . . . . 27 ILE H . 15217 1 325 . 1 1 27 27 ILE HA H 1 5.32 0.02 . 1 . . . . 27 ILE HA . 15217 1 326 . 1 1 27 27 ILE HB H 1 2.04 0.02 . 1 . . . . 27 ILE HB . 15217 1 327 . 1 1 27 27 ILE HG12 H 1 1.93 0.02 . 2 . . . . 27 ILE HG12 . 15217 1 328 . 1 1 27 27 ILE HG13 H 1 1.35 0.02 . 2 . . . . 27 ILE HG13 . 15217 1 329 . 1 1 27 27 ILE HG21 H 1 1.18 0.02 . 1 . . . . 27 ILE HG2 . 15217 1 330 . 1 1 27 27 ILE HG22 H 1 1.18 0.02 . 1 . . . . 27 ILE HG2 . 15217 1 331 . 1 1 27 27 ILE HG23 H 1 1.18 0.02 . 1 . . . . 27 ILE HG2 . 15217 1 332 . 1 1 27 27 ILE HD11 H 1 0.89 0.02 . 1 . . . . 27 ILE HD1 . 15217 1 333 . 1 1 27 27 ILE HD12 H 1 0.89 0.02 . 1 . . . . 27 ILE HD1 . 15217 1 334 . 1 1 27 27 ILE HD13 H 1 0.89 0.02 . 1 . . . . 27 ILE HD1 . 15217 1 335 . 1 1 27 27 ILE CA C 13 59.0 0.2 . 1 . . . . 27 ILE CA . 15217 1 336 . 1 1 27 27 ILE CB C 13 42.48 0.2 . 1 . . . . 27 ILE CB . 15217 1 337 . 1 1 27 27 ILE CG1 C 13 26.1 0.2 . 1 . . . . 27 ILE CG1 . 15217 1 338 . 1 1 27 27 ILE CG2 C 13 18.6 0.2 . 1 . . . . 27 ILE CG2 . 15217 1 339 . 1 1 27 27 ILE CD1 C 13 15.33 0.2 . 1 . . . . 27 ILE CD1 . 15217 1 340 . 1 1 27 27 ILE N N 15 116.4 0.2 . 1 . . . . 27 ILE N . 15217 1 341 . 1 1 28 28 ALA H H 1 8.73 0.02 . 1 . . . . 28 ALA H . 15217 1 342 . 1 1 28 28 ALA HA H 1 5.46 0.02 . 1 . . . . 28 ALA HA . 15217 1 343 . 1 1 28 28 ALA HB1 H 1 1.313 0.02 . 1 . . . . 28 ALA HB . 15217 1 344 . 1 1 28 28 ALA HB2 H 1 1.313 0.02 . 1 . . . . 28 ALA HB . 15217 1 345 . 1 1 28 28 ALA HB3 H 1 1.313 0.02 . 1 . . . . 28 ALA HB . 15217 1 346 . 1 1 28 28 ALA CA C 13 50.6 0.2 . 1 . . . . 28 ALA CA . 15217 1 347 . 1 1 28 28 ALA CB C 13 21.96 0.2 . 1 . . . . 28 ALA CB . 15217 1 348 . 1 1 28 28 ALA N N 15 124.9 0.2 . 1 . . . . 28 ALA N . 15217 1 349 . 1 1 29 29 PHE H H 1 8.75 0.02 . 1 . . . . 29 PHE H . 15217 1 350 . 1 1 29 29 PHE HA H 1 5.42 0.02 . 1 . . . . 29 PHE HA . 15217 1 351 . 1 1 29 29 PHE HB2 H 1 3.45 0.02 . 2 . . . . 29 PHE HB2 . 15217 1 352 . 1 1 29 29 PHE HB3 H 1 3.59 0.02 . 2 . . . . 29 PHE HB3 . 15217 1 353 . 1 1 29 29 PHE HD1 H 1 6.78 0.02 . 1 . . . . 29 PHE HD1 . 15217 1 354 . 1 1 29 29 PHE HD2 H 1 6.78 0.02 . 1 . . . . 29 PHE HD2 . 15217 1 355 . 1 1 29 29 PHE CA C 13 55.68 0.2 . 1 . . . . 29 PHE CA . 15217 1 356 . 1 1 29 29 PHE CB C 13 43.1 0.2 . 1 . . . . 29 PHE CB . 15217 1 357 . 1 1 29 29 PHE CD1 C 13 132.4 0.2 . 1 . . . . 29 PHE CD1 . 15217 1 358 . 1 1 29 29 PHE CD2 C 13 132.4 0.2 . 1 . . . . 29 PHE CD2 . 15217 1 359 . 1 1 29 29 PHE N N 15 118.8 0.2 . 1 . . . . 29 PHE N . 15217 1 360 . 1 1 30 30 THR H H 1 7.98 0.02 . 1 . . . . 30 THR H . 15217 1 361 . 1 1 30 30 THR HA H 1 5.69 0.02 . 1 . . . . 30 THR HA . 15217 1 362 . 1 1 30 30 THR HB H 1 3.965 0.02 . 1 . . . . 30 THR HB . 15217 1 363 . 1 1 30 30 THR HG21 H 1 1.15 0.02 . 1 . . . . 30 THR HG2 . 15217 1 364 . 1 1 30 30 THR HG22 H 1 1.15 0.02 . 1 . . . . 30 THR HG2 . 15217 1 365 . 1 1 30 30 THR HG23 H 1 1.15 0.02 . 1 . . . . 30 THR HG2 . 15217 1 366 . 1 1 30 30 THR CA C 13 59.9 0.2 . 1 . . . . 30 THR CA . 15217 1 367 . 1 1 30 30 THR CB C 13 71.13 0.2 . 1 . . . . 30 THR CB . 15217 1 368 . 1 1 30 30 THR CG2 C 13 22.6 0.2 . 1 . . . . 30 THR CG2 . 15217 1 369 . 1 1 30 30 THR N N 15 114.1 0.2 . 1 . . . . 30 THR N . 15217 1 370 . 1 1 31 31 LEU H H 1 9.36 0.02 . 1 . . . . 31 LEU H . 15217 1 371 . 1 1 31 31 LEU HA H 1 5.02 0.02 . 1 . . . . 31 LEU HA . 15217 1 372 . 1 1 31 31 LEU HB2 H 1 1.58 0.02 . 2 . . . . 31 LEU HB2 . 15217 1 373 . 1 1 31 31 LEU HB3 H 1 1.67 0.02 . 2 . . . . 31 LEU HB3 . 15217 1 374 . 1 1 31 31 LEU HG H 1 1.835 0.02 . 1 . . . . 31 LEU HG . 15217 1 375 . 1 1 31 31 LEU HD11 H 1 0.96 0.02 . 1 . . . . 31 LEU HD1 . 15217 1 376 . 1 1 31 31 LEU HD12 H 1 0.96 0.02 . 1 . . . . 31 LEU HD1 . 15217 1 377 . 1 1 31 31 LEU HD13 H 1 0.96 0.02 . 1 . . . . 31 LEU HD1 . 15217 1 378 . 1 1 31 31 LEU HD21 H 1 1.01 0.02 . 1 . . . . 31 LEU HD2 . 15217 1 379 . 1 1 31 31 LEU HD22 H 1 1.01 0.02 . 1 . . . . 31 LEU HD2 . 15217 1 380 . 1 1 31 31 LEU HD23 H 1 1.01 0.02 . 1 . . . . 31 LEU HD2 . 15217 1 381 . 1 1 31 31 LEU CA C 13 52.99 0.2 . 1 . . . . 31 LEU CA . 15217 1 382 . 1 1 31 31 LEU CB C 13 45.4 0.2 . 1 . . . . 31 LEU CB . 15217 1 383 . 1 1 31 31 LEU CG C 13 26.81 0.2 . 1 . . . . 31 LEU CG . 15217 1 384 . 1 1 31 31 LEU CD1 C 13 26.4 0.2 . 1 . . . . 31 LEU CD1 . 15217 1 385 . 1 1 31 31 LEU CD2 C 13 24.06 0.2 . 1 . . . . 31 LEU CD2 . 15217 1 386 . 1 1 31 31 LEU N N 15 125.3 0.2 . 1 . . . . 31 LEU N . 15217 1 387 . 1 1 32 32 ASN H H 1 9.16 0.02 . 1 . . . . 32 ASN H . 15217 1 388 . 1 1 32 32 ASN HA H 1 5.21 0.02 . 1 . . . . 32 ASN HA . 15217 1 389 . 1 1 32 32 ASN HB2 H 1 2.542 0.02 . 2 . . . . 32 ASN HB2 . 15217 1 390 . 1 1 32 32 ASN HB3 H 1 2.722 0.02 . 2 . . . . 32 ASN HB3 . 15217 1 391 . 1 1 32 32 ASN HD21 H 1 7.30 0.02 . 2 . . . . 32 ASN HD21 . 15217 1 392 . 1 1 32 32 ASN HD22 H 1 6.63 0.02 . 2 . . . . 32 ASN HD22 . 15217 1 393 . 1 1 32 32 ASN CA C 13 52.66 0.2 . 1 . . . . 32 ASN CA . 15217 1 394 . 1 1 32 32 ASN CB C 13 38.6 0.2 . 1 . . . . 32 ASN CB . 15217 1 395 . 1 1 32 32 ASN N N 15 123.6 0.2 . 1 . . . . 32 ASN N . 15217 1 396 . 1 1 32 32 ASN ND2 N 15 109.1 0.2 . 1 . . . . 32 ASN ND2 . 15217 1 397 . 1 1 33 33 VAL H H 1 8.88 0.02 . 1 . . . . 33 VAL H . 15217 1 398 . 1 1 33 33 VAL HA H 1 4.08 0.02 . 1 . . . . 33 VAL HA . 15217 1 399 . 1 1 33 33 VAL HB H 1 1.67 0.02 . 1 . . . . 33 VAL HB . 15217 1 400 . 1 1 33 33 VAL HG11 H 1 0.73 0.02 . 1 . . . . 33 VAL HG1 . 15217 1 401 . 1 1 33 33 VAL HG12 H 1 0.73 0.02 . 1 . . . . 33 VAL HG1 . 15217 1 402 . 1 1 33 33 VAL HG13 H 1 0.73 0.02 . 1 . . . . 33 VAL HG1 . 15217 1 403 . 1 1 33 33 VAL HG21 H 1 0.195 0.02 . 1 . . . . 33 VAL HG2 . 15217 1 404 . 1 1 33 33 VAL HG22 H 1 0.195 0.02 . 1 . . . . 33 VAL HG2 . 15217 1 405 . 1 1 33 33 VAL HG23 H 1 0.195 0.02 . 1 . . . . 33 VAL HG2 . 15217 1 406 . 1 1 33 33 VAL CA C 13 61.94 0.2 . 1 . . . . 33 VAL CA . 15217 1 407 . 1 1 33 33 VAL CB C 13 34.6 0.2 . 1 . . . . 33 VAL CB . 15217 1 408 . 1 1 33 33 VAL CG1 C 13 21.68 0.2 . 1 . . . . 33 VAL CG1 . 15217 1 409 . 1 1 33 33 VAL CG2 C 13 20.68 0.2 . 1 . . . . 33 VAL CG2 . 15217 1 410 . 1 1 33 33 VAL N N 15 124.5 0.2 . 1 . . . . 33 VAL N . 15217 1 411 . 1 1 34 34 THR H H 1 7.65 0.02 . 1 . . . . 34 THR H . 15217 1 412 . 1 1 34 34 THR HA H 1 5.13 0.02 . 1 . . . . 34 THR HA . 15217 1 413 . 1 1 34 34 THR HB H 1 4.792 0.02 . 1 . . . . 34 THR HB . 15217 1 414 . 1 1 34 34 THR HG21 H 1 1.25 0.02 . 1 . . . . 34 THR HG2 . 15217 1 415 . 1 1 34 34 THR HG22 H 1 1.25 0.02 . 1 . . . . 34 THR HG2 . 15217 1 416 . 1 1 34 34 THR HG23 H 1 1.25 0.02 . 1 . . . . 34 THR HG2 . 15217 1 417 . 1 1 34 34 THR CA C 13 59.2 0.2 . 1 . . . . 34 THR CA . 15217 1 418 . 1 1 34 34 THR CB C 13 72.83 0.2 . 1 . . . . 34 THR CB . 15217 1 419 . 1 1 34 34 THR CG2 C 13 21.780 0.2 . 1 . . . . 34 THR CG2 . 15217 1 420 . 1 1 34 34 THR N N 15 114.3 0.2 . 1 . . . . 34 THR N . 15217 1 421 . 1 1 35 35 SER H H 1 9.33 0.02 . 1 . . . . 35 SER H . 15217 1 422 . 1 1 35 35 SER HA H 1 4.02 0.02 . 1 . . . . 35 SER HA . 15217 1 423 . 1 1 35 35 SER HB2 H 1 3.88 0.02 . 2 . . . . 35 SER HB2 . 15217 1 424 . 1 1 35 35 SER HB3 H 1 3.97 0.02 . 2 . . . . 35 SER HB3 . 15217 1 425 . 1 1 35 35 SER CA C 13 62.0 0.2 . 1 . . . . 35 SER CA . 15217 1 426 . 1 1 35 35 SER CB C 13 62.4 0.2 . 1 . . . . 35 SER CB . 15217 1 427 . 1 1 35 35 SER N N 15 116.2 0.2 . 1 . . . . 35 SER N . 15217 1 428 . 1 1 36 36 GLU H H 1 8.36 0.02 . 1 . . . . 36 GLU H . 15217 1 429 . 1 1 36 36 GLU HA H 1 4.33 0.02 . 1 . . . . 36 GLU HA . 15217 1 430 . 1 1 36 36 GLU HB2 H 1 2.05 0.02 . 2 . . . . 36 GLU HB2 . 15217 1 431 . 1 1 36 36 GLU HB3 H 1 2.11 0.02 . 2 . . . . 36 GLU HB3 . 15217 1 432 . 1 1 36 36 GLU HG2 H 1 2.365 0.02 . 1 . . . . 36 GLU HG2 . 15217 1 433 . 1 1 36 36 GLU HG3 H 1 2.365 0.02 . 1 . . . . 36 GLU HG3 . 15217 1 434 . 1 1 36 36 GLU CA C 13 58.9 0.2 . 1 . . . . 36 GLU CA . 15217 1 435 . 1 1 36 36 GLU CB C 13 30.2 0.2 . 1 . . . . 36 GLU CB . 15217 1 436 . 1 1 36 36 GLU CG C 13 36.96 0.2 . 1 . . . . 36 GLU CG . 15217 1 437 . 1 1 36 36 GLU N N 15 119.2 0.2 . 1 . . . . 36 GLU N . 15217 1 438 . 1 1 37 37 THR H H 1 7.58 0.02 . 1 . . . . 37 THR H . 15217 1 439 . 1 1 37 37 THR HA H 1 4.65 0.02 . 1 . . . . 37 THR HA . 15217 1 440 . 1 1 37 37 THR HB H 1 4.6 0.02 . 1 . . . . 37 THR HB . 15217 1 441 . 1 1 37 37 THR HG21 H 1 1.24 0.02 . 1 . . . . 37 THR HG2 . 15217 1 442 . 1 1 37 37 THR HG22 H 1 1.24 0.02 . 1 . . . . 37 THR HG2 . 15217 1 443 . 1 1 37 37 THR HG23 H 1 1.24 0.02 . 1 . . . . 37 THR HG2 . 15217 1 444 . 1 1 37 37 THR CA C 13 61.62 0.2 . 1 . . . . 37 THR CA . 15217 1 445 . 1 1 37 37 THR CB C 13 70.63 0.2 . 1 . . . . 37 THR CB . 15217 1 446 . 1 1 37 37 THR CG2 C 13 22.52 0.2 . 1 . . . . 37 THR CG2 . 15217 1 447 . 1 1 37 37 THR N N 15 108.8 0.2 . 1 . . . . 37 THR N . 15217 1 448 . 1 1 38 38 TYR H H 1 7.99 0.02 . 1 . . . . 38 TYR H . 15217 1 449 . 1 1 38 38 TYR HA H 1 3.89 0.02 . 1 . . . . 38 TYR HA . 15217 1 450 . 1 1 38 38 TYR HB2 H 1 3.12 0.02 . 2 . . . . 38 TYR HB2 . 15217 1 451 . 1 1 38 38 TYR HB3 H 1 2.86 0.02 . 2 . . . . 38 TYR HB3 . 15217 1 452 . 1 1 38 38 TYR HD1 H 1 6.88 0.02 . 1 . . . . 38 TYR HD1 . 15217 1 453 . 1 1 38 38 TYR HD2 H 1 6.88 0.02 . 1 . . . . 38 TYR HD2 . 15217 1 454 . 1 1 38 38 TYR HE1 H 1 6.78 0.02 . 1 . . . . 38 TYR HE1 . 15217 1 455 . 1 1 38 38 TYR HE2 H 1 6.78 0.02 . 1 . . . . 38 TYR HE2 . 15217 1 456 . 1 1 38 38 TYR CA C 13 61.98 0.2 . 1 . . . . 38 TYR CA . 15217 1 457 . 1 1 38 38 TYR CB C 13 38.6 0.2 . 1 . . . . 38 TYR CB . 15217 1 458 . 1 1 38 38 TYR CD1 C 13 133.0 0.2 . 1 . . . . 38 TYR CD1 . 15217 1 459 . 1 1 38 38 TYR CD2 C 13 133.0 0.2 . 1 . . . . 38 TYR CD2 . 15217 1 460 . 1 1 38 38 TYR CE1 C 13 118.2 0.2 . 1 . . . . 38 TYR CE1 . 15217 1 461 . 1 1 38 38 TYR CE2 C 13 118.2 0.2 . 1 . . . . 38 TYR CE2 . 15217 1 462 . 1 1 38 38 TYR N N 15 121.7 0.2 . 1 . . . . 38 TYR N . 15217 1 463 . 1 1 39 39 HIS H H 1 8.77 0.02 . 1 . . . . 39 HIS H . 15217 1 464 . 1 1 39 39 HIS HA H 1 3.95 0.02 . 1 . . . . 39 HIS HA . 15217 1 465 . 1 1 39 39 HIS HB2 H 1 3.246 0.02 . 2 . . . . 39 HIS HB2 . 15217 1 466 . 1 1 39 39 HIS HB3 H 1 3.21 0.02 . 2 . . . . 39 HIS HB3 . 15217 1 467 . 1 1 39 39 HIS HE1 H 1 8.46 0.02 . 1 . . . . 39 HIS HE1 . 15217 1 468 . 1 1 39 39 HIS CA C 13 60.45 0.2 . 1 . . . . 39 HIS CA . 15217 1 469 . 1 1 39 39 HIS CB C 13 28.35 0.2 . 1 . . . . 39 HIS CB . 15217 1 470 . 1 1 39 39 HIS CE1 C 13 136.2 0.2 . 1 . . . . 39 HIS CE1 . 15217 1 471 . 1 1 39 39 HIS N N 15 116.4 0.2 . 1 . . . . 39 HIS N . 15217 1 472 . 1 1 40 40 ASP H H 1 8.18 0.02 . 1 . . . . 40 ASP H . 15217 1 473 . 1 1 40 40 ASP HA H 1 4.28 0.02 . 1 . . . . 40 ASP HA . 15217 1 474 . 1 1 40 40 ASP HB2 H 1 2.66 0.02 . 2 . . . . 40 ASP HB2 . 15217 1 475 . 1 1 40 40 ASP HB3 H 1 2.78 0.02 . 2 . . . . 40 ASP HB3 . 15217 1 476 . 1 1 40 40 ASP CA C 13 57.23 0.2 . 1 . . . . 40 ASP CA . 15217 1 477 . 1 1 40 40 ASP CB C 13 39.98 0.2 . 1 . . . . 40 ASP CB . 15217 1 478 . 1 1 40 40 ASP N N 15 117.2 0.2 . 1 . . . . 40 ASP N . 15217 1 479 . 1 1 41 41 ILE H H 1 7.70 0.02 . 1 . . . . 41 ILE H . 15217 1 480 . 1 1 41 41 ILE HA H 1 3.74 0.02 . 1 . . . . 41 ILE HA . 15217 1 481 . 1 1 41 41 ILE HB H 1 1.80 0.02 . 1 . . . . 41 ILE HB . 15217 1 482 . 1 1 41 41 ILE HG12 H 1 1.56 0.02 . 2 . . . . 41 ILE HG12 . 15217 1 483 . 1 1 41 41 ILE HG13 H 1 1.21 0.02 . 2 . . . . 41 ILE HG13 . 15217 1 484 . 1 1 41 41 ILE HG21 H 1 0.63 0.02 . 1 . . . . 41 ILE HG2 . 15217 1 485 . 1 1 41 41 ILE HG22 H 1 0.63 0.02 . 1 . . . . 41 ILE HG2 . 15217 1 486 . 1 1 41 41 ILE HG23 H 1 0.63 0.02 . 1 . . . . 41 ILE HG2 . 15217 1 487 . 1 1 41 41 ILE HD11 H 1 0.75 0.02 . 1 . . . . 41 ILE HD1 . 15217 1 488 . 1 1 41 41 ILE HD12 H 1 0.75 0.02 . 1 . . . . 41 ILE HD1 . 15217 1 489 . 1 1 41 41 ILE HD13 H 1 0.75 0.02 . 1 . . . . 41 ILE HD1 . 15217 1 490 . 1 1 41 41 ILE CA C 13 63.4 0.2 . 1 . . . . 41 ILE CA . 15217 1 491 . 1 1 41 41 ILE CB C 13 37.0 0.2 . 1 . . . . 41 ILE CB . 15217 1 492 . 1 1 41 41 ILE CG1 C 13 29.14 0.2 . 1 . . . . 41 ILE CG1 . 15217 1 493 . 1 1 41 41 ILE CG2 C 13 17.75 0.2 . 1 . . . . 41 ILE CG2 . 15217 1 494 . 1 1 41 41 ILE CD1 C 13 12.06 0.2 . 1 . . . . 41 ILE CD1 . 15217 1 495 . 1 1 41 41 ILE N N 15 120.6 0.2 . 1 . . . . 41 ILE N . 15217 1 496 . 1 1 42 42 ALA H H 1 8.63 0.02 . 1 . . . . 42 ALA H . 15217 1 497 . 1 1 42 42 ALA HA H 1 3.79 0.02 . 1 . . . . 42 ALA HA . 15217 1 498 . 1 1 42 42 ALA HB1 H 1 1.13 0.02 . 1 . . . . 42 ALA HB . 15217 1 499 . 1 1 42 42 ALA HB2 H 1 1.13 0.02 . 1 . . . . 42 ALA HB . 15217 1 500 . 1 1 42 42 ALA HB3 H 1 1.13 0.02 . 1 . . . . 42 ALA HB . 15217 1 501 . 1 1 42 42 ALA CA C 13 55.78 0.2 . 1 . . . . 42 ALA CA . 15217 1 502 . 1 1 42 42 ALA CB C 13 17.4 0.2 . 1 . . . . 42 ALA CB . 15217 1 503 . 1 1 42 42 ALA N N 15 122.9 0.2 . 1 . . . . 42 ALA N . 15217 1 504 . 1 1 43 43 VAL H H 1 7.65 0.02 . 1 . . . . 43 VAL H . 15217 1 505 . 1 1 43 43 VAL HA H 1 3.39 0.02 . 1 . . . . 43 VAL HA . 15217 1 506 . 1 1 43 43 VAL HB H 1 1.96 0.02 . 1 . . . . 43 VAL HB . 15217 1 507 . 1 1 43 43 VAL HG11 H 1 0.86 0.02 . 1 . . . . 43 VAL HG1 . 15217 1 508 . 1 1 43 43 VAL HG12 H 1 0.86 0.02 . 1 . . . . 43 VAL HG1 . 15217 1 509 . 1 1 43 43 VAL HG13 H 1 0.86 0.02 . 1 . . . . 43 VAL HG1 . 15217 1 510 . 1 1 43 43 VAL HG21 H 1 0.79 0.02 . 1 . . . . 43 VAL HG2 . 15217 1 511 . 1 1 43 43 VAL HG22 H 1 0.79 0.02 . 1 . . . . 43 VAL HG2 . 15217 1 512 . 1 1 43 43 VAL HG23 H 1 0.79 0.02 . 1 . . . . 43 VAL HG2 . 15217 1 513 . 1 1 43 43 VAL CA C 13 65.7 0.2 . 1 . . . . 43 VAL CA . 15217 1 514 . 1 1 43 43 VAL CB C 13 31.74 0.2 . 1 . . . . 43 VAL CB . 15217 1 515 . 1 1 43 43 VAL CG1 C 13 21.45 0.2 . 1 . . . . 43 VAL CG1 . 15217 1 516 . 1 1 43 43 VAL CG2 C 13 22.28 0.2 . 1 . . . . 43 VAL CG2 . 15217 1 517 . 1 1 43 43 VAL N N 15 114.6 0.2 . 1 . . . . 43 VAL N . 15217 1 518 . 1 1 44 44 LEU H H 1 7.25 0.02 . 1 . . . . 44 LEU H . 15217 1 519 . 1 1 44 44 LEU HA H 1 4.30 0.02 . 1 . . . . 44 LEU HA . 15217 1 520 . 1 1 44 44 LEU HB2 H 1 2.10 0.02 . 2 . . . . 44 LEU HB2 . 15217 1 521 . 1 1 44 44 LEU HB3 H 1 1.726 0.02 . 2 . . . . 44 LEU HB3 . 15217 1 522 . 1 1 44 44 LEU HG H 1 1.61 0.02 . 1 . . . . 44 LEU HG . 15217 1 523 . 1 1 44 44 LEU HD11 H 1 1.04 0.02 . 1 . . . . 44 LEU HD1 . 15217 1 524 . 1 1 44 44 LEU HD12 H 1 1.04 0.02 . 1 . . . . 44 LEU HD1 . 15217 1 525 . 1 1 44 44 LEU HD13 H 1 1.04 0.02 . 1 . . . . 44 LEU HD1 . 15217 1 526 . 1 1 44 44 LEU HD21 H 1 0.91 0.02 . 1 . . . . 44 LEU HD2 . 15217 1 527 . 1 1 44 44 LEU HD22 H 1 0.91 0.02 . 1 . . . . 44 LEU HD2 . 15217 1 528 . 1 1 44 44 LEU HD23 H 1 0.91 0.02 . 1 . . . . 44 LEU HD2 . 15217 1 529 . 1 1 44 44 LEU CA C 13 57.9 0.2 . 1 . . . . 44 LEU CA . 15217 1 530 . 1 1 44 44 LEU CB C 13 42.25 0.2 . 1 . . . . 44 LEU CB . 15217 1 531 . 1 1 44 44 LEU CG C 13 27.1 0.2 . 1 . . . . 44 LEU CG . 15217 1 532 . 1 1 44 44 LEU CD1 C 13 23.57 0.2 . 1 . . . . 44 LEU CD1 . 15217 1 533 . 1 1 44 44 LEU CD2 C 13 26.04 0.2 . 1 . . . . 44 LEU CD2 . 15217 1 534 . 1 1 44 44 LEU N N 15 122.8 0.2 . 1 . . . . 44 LEU N . 15217 1 535 . 1 1 45 45 LEU H H 1 8.06 0.02 . 1 . . . . 45 LEU H . 15217 1 536 . 1 1 45 45 LEU HA H 1 4.43 0.02 . 1 . . . . 45 LEU HA . 15217 1 537 . 1 1 45 45 LEU HB2 H 1 1.67 0.02 . 2 . . . . 45 LEU HB2 . 15217 1 538 . 1 1 45 45 LEU HB3 H 1 1.60 0.02 . 2 . . . . 45 LEU HB3 . 15217 1 539 . 1 1 45 45 LEU HG H 1 1.58 0.02 . 1 . . . . 45 LEU HG . 15217 1 540 . 1 1 45 45 LEU HD11 H 1 0.90 0.02 . 1 . . . . 45 LEU HD1 . 15217 1 541 . 1 1 45 45 LEU HD12 H 1 0.90 0.02 . 1 . . . . 45 LEU HD1 . 15217 1 542 . 1 1 45 45 LEU HD13 H 1 0.90 0.02 . 1 . . . . 45 LEU HD1 . 15217 1 543 . 1 1 45 45 LEU HD21 H 1 0.84 0.02 . 1 . . . . 45 LEU HD2 . 15217 1 544 . 1 1 45 45 LEU HD22 H 1 0.84 0.02 . 1 . . . . 45 LEU HD2 . 15217 1 545 . 1 1 45 45 LEU HD23 H 1 0.84 0.02 . 1 . . . . 45 LEU HD2 . 15217 1 546 . 1 1 45 45 LEU CA C 13 55.2 0.2 . 1 . . . . 45 LEU CA . 15217 1 547 . 1 1 45 45 LEU CB C 13 41.6 0.2 . 1 . . . . 45 LEU CB . 15217 1 548 . 1 1 45 45 LEU CG C 13 26.9 0.2 . 1 . . . . 45 LEU CG . 15217 1 549 . 1 1 45 45 LEU CD1 C 13 25.06 0.2 . 1 . . . . 45 LEU CD1 . 15217 1 550 . 1 1 45 45 LEU CD2 C 13 23.7 0.2 . 1 . . . . 45 LEU CD2 . 15217 1 551 . 1 1 46 46 TYR H H 1 8.04 0.02 . 1 . . . . 46 TYR H . 15217 1 552 . 1 1 46 46 TYR HA H 1 5.38 0.02 . 1 . . . . 46 TYR HA . 15217 1 553 . 1 1 46 46 TYR HB2 H 1 3.42 0.02 . 2 . . . . 46 TYR HB2 . 15217 1 554 . 1 1 46 46 TYR HB3 H 1 2.90 0.02 . 2 . . . . 46 TYR HB3 . 15217 1 555 . 1 1 46 46 TYR HD1 H 1 6.96 0.02 . 1 . . . . 46 TYR HD1 . 15217 1 556 . 1 1 46 46 TYR HD2 H 1 6.96 0.02 . 1 . . . . 46 TYR HD2 . 15217 1 557 . 1 1 46 46 TYR HE1 H 1 6.48 0.02 . 1 . . . . 46 TYR HE1 . 15217 1 558 . 1 1 46 46 TYR HE2 H 1 6.48 0.02 . 1 . . . . 46 TYR HE2 . 15217 1 559 . 1 1 46 46 TYR CA C 13 56.9 0.2 . 1 . . . . 46 TYR CA . 15217 1 560 . 1 1 46 46 TYR CB C 13 40.5 0.2 . 1 . . . . 46 TYR CB . 15217 1 561 . 1 1 46 46 TYR CD1 C 13 132.8 0.2 . 1 . . . . 46 TYR CD1 . 15217 1 562 . 1 1 46 46 TYR CD2 C 13 132.8 0.2 . 1 . . . . 46 TYR CD2 . 15217 1 563 . 1 1 46 46 TYR CE1 C 13 117.6 0.2 . 1 . . . . 46 TYR CE1 . 15217 1 564 . 1 1 46 46 TYR CE2 C 13 117.6 0.2 . 1 . . . . 46 TYR CE2 . 15217 1 565 . 1 1 46 46 TYR N N 15 122.7 0.2 . 1 . . . . 46 TYR N . 15217 1 566 . 1 1 47 47 GLU HA H 1 4.00 0.02 . 1 . . . . 47 GLU HA . 15217 1 567 . 1 1 47 47 GLU HB2 H 1 1.94 0.02 . 2 . . . . 47 GLU HB2 . 15217 1 568 . 1 1 47 47 GLU HB3 H 1 2.06 0.02 . 2 . . . . 47 GLU HB3 . 15217 1 569 . 1 1 47 47 GLU HG2 H 1 2.36 0.02 . 2 . . . . 47 GLU HG2 . 15217 1 570 . 1 1 47 47 GLU HG3 H 1 2.57 0.02 . 2 . . . . 47 GLU HG3 . 15217 1 571 . 1 1 47 47 GLU CA C 13 57.7 0.2 . 1 . . . . 47 GLU CA . 15217 1 572 . 1 1 47 47 GLU CB C 13 29.8 0.2 . 1 . . . . 47 GLU CB . 15217 1 573 . 1 1 47 47 GLU CG C 13 36.9 0.2 . 1 . . . . 47 GLU CG . 15217 1 574 . 1 1 48 48 LYS HA H 1 4.66 0.02 . 1 . . . . 48 LYS HA . 15217 1 575 . 1 1 48 48 LYS HB2 H 1 1.79 0.02 . 1 . . . . 48 LYS HB2 . 15217 1 576 . 1 1 48 48 LYS HB3 H 1 1.79 0.02 . 1 . . . . 48 LYS HB3 . 15217 1 577 . 1 1 48 48 LYS HG2 H 1 1.44 0.02 . 2 . . . . 48 LYS HG2 . 15217 1 578 . 1 1 48 48 LYS HG3 H 1 1.49 0.02 . 2 . . . . 48 LYS HG3 . 15217 1 579 . 1 1 48 48 LYS HD2 H 1 1.65 0.02 . 1 . . . . 48 LYS HD2 . 15217 1 580 . 1 1 48 48 LYS HD3 H 1 1.65 0.02 . 1 . . . . 48 LYS HD3 . 15217 1 581 . 1 1 48 48 LYS HE2 H 1 2.93 0.02 . 1 . . . . 48 LYS HE2 . 15217 1 582 . 1 1 48 48 LYS HE3 H 1 2.93 0.02 . 1 . . . . 48 LYS HE3 . 15217 1 583 . 1 1 48 48 LYS CA C 13 57.45 0.2 . 1 . . . . 48 LYS CA . 15217 1 584 . 1 1 48 48 LYS CB C 13 36.8 0.2 . 1 . . . . 48 LYS CB . 15217 1 585 . 1 1 48 48 LYS CG C 13 25.6 0.2 . 1 . . . . 48 LYS CG . 15217 1 586 . 1 1 48 48 LYS CD C 13 29.28 0.2 . 1 . . . . 48 LYS CD . 15217 1 587 . 1 1 48 48 LYS CE C 13 41.9 0.2 . 1 . . . . 48 LYS CE . 15217 1 588 . 1 1 49 49 THR H H 1 7.54 0.02 . 1 . . . . 49 THR H . 15217 1 589 . 1 1 49 49 THR HA H 1 4.83 0.02 . 1 . . . . 49 THR HA . 15217 1 590 . 1 1 49 49 THR HB H 1 3.785 0.02 . 1 . . . . 49 THR HB . 15217 1 591 . 1 1 49 49 THR HG21 H 1 1.096 0.02 . 1 . . . . 49 THR HG2 . 15217 1 592 . 1 1 49 49 THR HG22 H 1 1.096 0.02 . 1 . . . . 49 THR HG2 . 15217 1 593 . 1 1 49 49 THR HG23 H 1 1.096 0.02 . 1 . . . . 49 THR HG2 . 15217 1 594 . 1 1 49 49 THR CA C 13 60.36 0.2 . 1 . . . . 49 THR CA . 15217 1 595 . 1 1 49 49 THR CB C 13 70.85 0.2 . 1 . . . . 49 THR CB . 15217 1 596 . 1 1 49 49 THR CG2 C 13 22.11 0.2 . 1 . . . . 49 THR CG2 . 15217 1 597 . 1 1 49 49 THR N N 15 115.8 0.2 . 1 . . . . 49 THR N . 15217 1 598 . 1 1 50 50 PHE H H 1 9.03 0.02 . 1 . . . . 50 PHE H . 15217 1 599 . 1 1 50 50 PHE HA H 1 5.15 0.02 . 1 . . . . 50 PHE HA . 15217 1 600 . 1 1 50 50 PHE HB2 H 1 2.76 0.02 . 2 . . . . 50 PHE HB2 . 15217 1 601 . 1 1 50 50 PHE HB3 H 1 2.32 0.02 . 2 . . . . 50 PHE HB3 . 15217 1 602 . 1 1 50 50 PHE HD1 H 1 6.82 0.02 . 1 . . . . 50 PHE HD1 . 15217 1 603 . 1 1 50 50 PHE HD2 H 1 6.82 0.02 . 1 . . . . 50 PHE HD2 . 15217 1 604 . 1 1 50 50 PHE HE1 H 1 7.32 0.02 . 1 . . . . 50 PHE HE1 . 15217 1 605 . 1 1 50 50 PHE HE2 H 1 7.32 0.02 . 1 . . . . 50 PHE HE2 . 15217 1 606 . 1 1 50 50 PHE CA C 13 55.68 0.2 . 1 . . . . 50 PHE CA . 15217 1 607 . 1 1 50 50 PHE CB C 13 44.22 0.2 . 1 . . . . 50 PHE CB . 15217 1 608 . 1 1 50 50 PHE CD1 C 13 132.3 0.2 . 1 . . . . 50 PHE CD1 . 15217 1 609 . 1 1 50 50 PHE CD2 C 13 132.3 0.2 . 1 . . . . 50 PHE CD2 . 15217 1 610 . 1 1 50 50 PHE CE1 C 13 131.1 0.2 . 1 . . . . 50 PHE CE1 . 15217 1 611 . 1 1 50 50 PHE CE2 C 13 131.1 0.2 . 1 . . . . 50 PHE CE2 . 15217 1 612 . 1 1 50 50 PHE N N 15 118.3 0.2 . 1 . . . . 50 PHE N . 15217 1 613 . 1 1 51 51 ASN H H 1 8.81 0.02 . 1 . . . . 51 ASN H . 15217 1 614 . 1 1 51 51 ASN HA H 1 4.92 0.02 . 1 . . . . 51 ASN HA . 15217 1 615 . 1 1 51 51 ASN HB2 H 1 2.83 0.02 . 1 . . . . 51 ASN HB2 . 15217 1 616 . 1 1 51 51 ASN HB3 H 1 2.83 0.02 . 1 . . . . 51 ASN HB3 . 15217 1 617 . 1 1 51 51 ASN HD21 H 1 7.77 0.02 . 2 . . . . 51 ASN HD21 . 15217 1 618 . 1 1 51 51 ASN HD22 H 1 7.00 0.02 . 2 . . . . 51 ASN HD22 . 15217 1 619 . 1 1 51 51 ASN CA C 13 53.96 0.2 . 1 . . . . 51 ASN CA . 15217 1 620 . 1 1 51 51 ASN CB C 13 37.9 0.2 . 1 . . . . 51 ASN CB . 15217 1 621 . 1 1 51 51 ASN N N 15 121.1 0.2 . 1 . . . . 51 ASN N . 15217 1 622 . 1 1 51 51 ASN ND2 N 15 114.9 0.2 . 1 . . . . 51 ASN ND2 . 15217 1 623 . 1 1 52 52 VAL H H 1 9.14 0.02 . 1 . . . . 52 VAL H . 15217 1 624 . 1 1 52 52 VAL HA H 1 4.37 0.02 . 1 . . . . 52 VAL HA . 15217 1 625 . 1 1 52 52 VAL HB H 1 0.94 0.02 . 1 . . . . 52 VAL HB . 15217 1 626 . 1 1 52 52 VAL HG11 H 1 0.36 0.02 . 1 . . . . 52 VAL HG1 . 15217 1 627 . 1 1 52 52 VAL HG12 H 1 0.36 0.02 . 1 . . . . 52 VAL HG1 . 15217 1 628 . 1 1 52 52 VAL HG13 H 1 0.36 0.02 . 1 . . . . 52 VAL HG1 . 15217 1 629 . 1 1 52 52 VAL HG21 H 1 0.504 0.02 . 1 . . . . 52 VAL HG2 . 15217 1 630 . 1 1 52 52 VAL HG22 H 1 0.504 0.02 . 1 . . . . 52 VAL HG2 . 15217 1 631 . 1 1 52 52 VAL HG23 H 1 0.504 0.02 . 1 . . . . 52 VAL HG2 . 15217 1 632 . 1 1 52 52 VAL CA C 13 61.66 0.2 . 1 . . . . 52 VAL CA . 15217 1 633 . 1 1 52 52 VAL CB C 13 32.59 0.2 . 1 . . . . 52 VAL CB . 15217 1 634 . 1 1 52 52 VAL CG1 C 13 21.95 0.2 . 1 . . . . 52 VAL CG1 . 15217 1 635 . 1 1 52 52 VAL CG2 C 13 21.49 0.2 . 1 . . . . 52 VAL CG2 . 15217 1 636 . 1 1 52 52 VAL N N 15 129.3 0.2 . 1 . . . . 52 VAL N . 15217 1 637 . 1 1 53 53 GLU H H 1 9.02 0.02 . 1 . . . . 53 GLU H . 15217 1 638 . 1 1 53 53 GLU HA H 1 5.09 0.02 . 1 . . . . 53 GLU HA . 15217 1 639 . 1 1 53 53 GLU HB2 H 1 1.847 0.02 . 2 . . . . 53 GLU HB2 . 15217 1 640 . 1 1 53 53 GLU HB3 H 1 1.62 0.02 . 2 . . . . 53 GLU HB3 . 15217 1 641 . 1 1 53 53 GLU HG2 H 1 2.13 0.02 . 2 . . . . 53 GLU HG2 . 15217 1 642 . 1 1 53 53 GLU HG3 H 1 2.25 0.02 . 2 . . . . 53 GLU HG3 . 15217 1 643 . 1 1 53 53 GLU CA C 13 55.5 0.2 . 1 . . . . 53 GLU CA . 15217 1 644 . 1 1 53 53 GLU CB C 13 31.94 0.2 . 1 . . . . 53 GLU CB . 15217 1 645 . 1 1 53 53 GLU CG C 13 36.6 0.2 . 1 . . . . 53 GLU CG . 15217 1 646 . 1 1 53 53 GLU N N 15 125.4 0.2 . 1 . . . . 53 GLU N . 15217 1 647 . 1 1 54 54 VAL H H 1 8.84 0.02 . 1 . . . . 54 VAL H . 15217 1 648 . 1 1 54 54 VAL HA H 1 4.68 0.02 . 1 . . . . 54 VAL HA . 15217 1 649 . 1 1 54 54 VAL HB H 1 2.24 0.02 . 1 . . . . 54 VAL HB . 15217 1 650 . 1 1 54 54 VAL HG11 H 1 0.65 0.02 . 1 . . . . 54 VAL HG1 . 15217 1 651 . 1 1 54 54 VAL HG12 H 1 0.65 0.02 . 1 . . . . 54 VAL HG1 . 15217 1 652 . 1 1 54 54 VAL HG13 H 1 0.65 0.02 . 1 . . . . 54 VAL HG1 . 15217 1 653 . 1 1 54 54 VAL HG21 H 1 0.86 0.02 . 1 . . . . 54 VAL HG2 . 15217 1 654 . 1 1 54 54 VAL HG22 H 1 0.86 0.02 . 1 . . . . 54 VAL HG2 . 15217 1 655 . 1 1 54 54 VAL HG23 H 1 0.86 0.02 . 1 . . . . 54 VAL HG2 . 15217 1 656 . 1 1 54 54 VAL CA C 13 58.9 0.2 . 1 . . . . 54 VAL CA . 15217 1 657 . 1 1 54 54 VAL CB C 13 31.9 0.2 . 1 . . . . 54 VAL CB . 15217 1 658 . 1 1 54 54 VAL CG1 C 13 22.53 0.2 . 1 . . . . 54 VAL CG1 . 15217 1 659 . 1 1 54 54 VAL CG2 C 13 19.6 0.2 . 1 . . . . 54 VAL CG2 . 15217 1 660 . 1 1 54 54 VAL N N 15 123.1 0.2 . 1 . . . . 54 VAL N . 15217 1 661 . 1 1 55 55 PRO HA H 1 4.48 0.02 . 1 . . . . 55 PRO HA . 15217 1 662 . 1 1 55 55 PRO HB2 H 1 2.035 0.02 . 2 . . . . 55 PRO HB2 . 15217 1 663 . 1 1 55 55 PRO HB3 H 1 2.37 0.02 . 2 . . . . 55 PRO HB3 . 15217 1 664 . 1 1 55 55 PRO HG2 H 1 2.025 0.02 . 2 . . . . 55 PRO HG2 . 15217 1 665 . 1 1 55 55 PRO HG3 H 1 1.875 0.02 . 2 . . . . 55 PRO HG3 . 15217 1 666 . 1 1 55 55 PRO HD2 H 1 3.24 0.02 . 2 . . . . 55 PRO HD2 . 15217 1 667 . 1 1 55 55 PRO HD3 H 1 3.77 0.02 . 2 . . . . 55 PRO HD3 . 15217 1 668 . 1 1 55 55 PRO CA C 13 65.72 0.2 . 1 . . . . 55 PRO CA . 15217 1 669 . 1 1 55 55 PRO CB C 13 32.04 0.2 . 1 . . . . 55 PRO CB . 15217 1 670 . 1 1 55 55 PRO CG C 13 27.26 0.2 . 1 . . . . 55 PRO CG . 15217 1 671 . 1 1 55 55 PRO CD C 13 50.52 0.2 . 1 . . . . 55 PRO CD . 15217 1 672 . 1 1 56 56 GLU H H 1 10.05 0.02 . 1 . . . . 56 GLU H . 15217 1 673 . 1 1 56 56 GLU HA H 1 4.145 0.02 . 1 . . . . 56 GLU HA . 15217 1 674 . 1 1 56 56 GLU HB2 H 1 2.22 0.02 . 2 . . . . 56 GLU HB2 . 15217 1 675 . 1 1 56 56 GLU HB3 H 1 1.97 0.02 . 2 . . . . 56 GLU HB3 . 15217 1 676 . 1 1 56 56 GLU HG2 H 1 2.33 0.02 . 1 . . . . 56 GLU HG2 . 15217 1 677 . 1 1 56 56 GLU HG3 H 1 2.33 0.02 . 1 . . . . 56 GLU HG3 . 15217 1 678 . 1 1 56 56 GLU CA C 13 58.58 0.2 . 1 . . . . 56 GLU CA . 15217 1 679 . 1 1 56 56 GLU CB C 13 30.00 0.2 . 1 . . . . 56 GLU CB . 15217 1 680 . 1 1 56 56 GLU CG C 13 37.9 0.2 . 1 . . . . 56 GLU CG . 15217 1 681 . 1 1 56 56 GLU N N 15 118.00 0.2 . 1 . . . . 56 GLU N . 15217 1 682 . 1 1 57 57 ARG H H 1 7.55 0.02 . 1 . . . . 57 ARG H . 15217 1 683 . 1 1 57 57 ARG HA H 1 4.48 0.02 . 1 . . . . 57 ARG HA . 15217 1 684 . 1 1 57 57 ARG HB2 H 1 1.524 0.02 . 2 . . . . 57 ARG HB2 . 15217 1 685 . 1 1 57 57 ARG HB3 H 1 2.346 0.02 . 2 . . . . 57 ARG HB3 . 15217 1 686 . 1 1 57 57 ARG HG2 H 1 1.836 0.02 . 2 . . . . 57 ARG HG2 . 15217 1 687 . 1 1 57 57 ARG HG3 H 1 1.24 0.02 . 2 . . . . 57 ARG HG3 . 15217 1 688 . 1 1 57 57 ARG HD2 H 1 3.22 0.02 . 2 . . . . 57 ARG HD2 . 15217 1 689 . 1 1 57 57 ARG HD3 H 1 3.27 0.02 . 2 . . . . 57 ARG HD3 . 15217 1 690 . 1 1 57 57 ARG HE H 1 8.86 0.02 . 1 . . . . 57 ARG HE . 15217 1 691 . 1 1 57 57 ARG CA C 13 52.56 0.2 . 1 . . . . 57 ARG CA . 15217 1 692 . 1 1 57 57 ARG CB C 13 29.99 0.2 . 1 . . . . 57 ARG CB . 15217 1 693 . 1 1 57 57 ARG CG C 13 26.02 0.2 . 1 . . . . 57 ARG CG . 15217 1 694 . 1 1 57 57 ARG CD C 13 40.5 0.2 . 1 . . . . 57 ARG CD . 15217 1 695 . 1 1 57 57 ARG N N 15 116.4 0.2 . 1 . . . . 57 ARG N . 15217 1 696 . 1 1 57 57 ARG NE N 15 84.7 0.2 . 1 . . . . 57 ARG NE . 15217 1 697 . 1 1 58 58 ASP H H 1 7.92 0.02 . 1 . . . . 58 ASP H . 15217 1 698 . 1 1 58 58 ASP HA H 1 4.25 0.02 . 1 . . . . 58 ASP HA . 15217 1 699 . 1 1 58 58 ASP HB2 H 1 2.54 0.02 . 2 . . . . 58 ASP HB2 . 15217 1 700 . 1 1 58 58 ASP HB3 H 1 3.04 0.02 . 2 . . . . 58 ASP HB3 . 15217 1 701 . 1 1 58 58 ASP CA C 13 55.42 0.2 . 1 . . . . 58 ASP CA . 15217 1 702 . 1 1 58 58 ASP CB C 13 39.86 0.2 . 1 . . . . 58 ASP CB . 15217 1 703 . 1 1 58 58 ASP N N 15 118.4 0.2 . 1 . . . . 58 ASP N . 15217 1 704 . 1 1 59 59 LEU H H 1 6.93 0.02 . 1 . . . . 59 LEU H . 15217 1 705 . 1 1 59 59 LEU HA H 1 4.77 0.02 . 1 . . . . 59 LEU HA . 15217 1 706 . 1 1 59 59 LEU HB2 H 1 1.64 0.02 . 2 . . . . 59 LEU HB2 . 15217 1 707 . 1 1 59 59 LEU HB3 H 1 1.43 0.02 . 2 . . . . 59 LEU HB3 . 15217 1 708 . 1 1 59 59 LEU HG H 1 1.502 0.02 . 1 . . . . 59 LEU HG . 15217 1 709 . 1 1 59 59 LEU HD11 H 1 0.93 0.02 . 1 . . . . 59 LEU HD1 . 15217 1 710 . 1 1 59 59 LEU HD12 H 1 0.93 0.02 . 1 . . . . 59 LEU HD1 . 15217 1 711 . 1 1 59 59 LEU HD13 H 1 0.93 0.02 . 1 . . . . 59 LEU HD1 . 15217 1 712 . 1 1 59 59 LEU HD21 H 1 0.901 0.02 . 1 . . . . 59 LEU HD2 . 15217 1 713 . 1 1 59 59 LEU HD22 H 1 0.901 0.02 . 1 . . . . 59 LEU HD2 . 15217 1 714 . 1 1 59 59 LEU HD23 H 1 0.901 0.02 . 1 . . . . 59 LEU HD2 . 15217 1 715 . 1 1 59 59 LEU CA C 13 53.83 0.2 . 1 . . . . 59 LEU CA . 15217 1 716 . 1 1 59 59 LEU CB C 13 45.8 0.2 . 1 . . . . 59 LEU CB . 15217 1 717 . 1 1 59 59 LEU CG C 13 27.17 0.2 . 1 . . . . 59 LEU CG . 15217 1 718 . 1 1 59 59 LEU CD1 C 13 23.98 0.2 . 1 . . . . 59 LEU CD1 . 15217 1 719 . 1 1 59 59 LEU CD2 C 13 25.06 0.2 . 1 . . . . 59 LEU CD2 . 15217 1 720 . 1 1 59 59 LEU N N 15 116.5 0.2 . 1 . . . . 59 LEU N . 15217 1 721 . 1 1 60 60 ALA H H 1 8.69 0.02 . 1 . . . . 60 ALA H . 15217 1 722 . 1 1 60 60 ALA HA H 1 5.353 0.02 . 1 . . . . 60 ALA HA . 15217 1 723 . 1 1 60 60 ALA HB1 H 1 1.392 0.02 . 1 . . . . 60 ALA HB . 15217 1 724 . 1 1 60 60 ALA HB2 H 1 1.392 0.02 . 1 . . . . 60 ALA HB . 15217 1 725 . 1 1 60 60 ALA HB3 H 1 1.392 0.02 . 1 . . . . 60 ALA HB . 15217 1 726 . 1 1 60 60 ALA CA C 13 52.02 0.2 . 1 . . . . 60 ALA CA . 15217 1 727 . 1 1 60 60 ALA CB C 13 21.06 0.2 . 1 . . . . 60 ALA CB . 15217 1 728 . 1 1 60 60 ALA N N 15 130.0 0.2 . 1 . . . . 60 ALA N . 15217 1 729 . 1 1 61 61 PHE H H 1 8.47 0.02 . 1 . . . . 61 PHE H . 15217 1 730 . 1 1 61 61 PHE HA H 1 4.933 0.02 . 1 . . . . 61 PHE HA . 15217 1 731 . 1 1 61 61 PHE HB2 H 1 3.18 0.02 . 2 . . . . 61 PHE HB2 . 15217 1 732 . 1 1 61 61 PHE HB3 H 1 3.379 0.02 . 2 . . . . 61 PHE HB3 . 15217 1 733 . 1 1 61 61 PHE HD1 H 1 6.89 0.02 . 1 . . . . 61 PHE HD1 . 15217 1 734 . 1 1 61 61 PHE HD2 H 1 6.89 0.02 . 1 . . . . 61 PHE HD2 . 15217 1 735 . 1 1 61 61 PHE HE1 H 1 6.91 0.02 . 1 . . . . 61 PHE HE1 . 15217 1 736 . 1 1 61 61 PHE HE2 H 1 6.91 0.02 . 1 . . . . 61 PHE HE2 . 15217 1 737 . 1 1 61 61 PHE CA C 13 56.5 0.2 . 1 . . . . 61 PHE CA . 15217 1 738 . 1 1 61 61 PHE CB C 13 39.72 0.2 . 1 . . . . 61 PHE CB . 15217 1 739 . 1 1 61 61 PHE CD1 C 13 132.6 0.2 . 1 . . . . 61 PHE CD1 . 15217 1 740 . 1 1 61 61 PHE CD2 C 13 132.6 0.2 . 1 . . . . 61 PHE CD2 . 15217 1 741 . 1 1 61 61 PHE CE1 C 13 129.8 0.2 . 1 . . . . 61 PHE CE1 . 15217 1 742 . 1 1 61 61 PHE CE2 C 13 129.8 0.2 . 1 . . . . 61 PHE CE2 . 15217 1 743 . 1 1 61 61 PHE N N 15 117.5 0.2 . 1 . . . . 61 PHE N . 15217 1 744 . 1 1 62 62 ARG H H 1 9.27 0.02 . 1 . . . . 62 ARG H . 15217 1 745 . 1 1 62 62 ARG HA H 1 5.29 0.02 . 1 . . . . 62 ARG HA . 15217 1 746 . 1 1 62 62 ARG HB2 H 1 1.86 0.02 . 2 . . . . 62 ARG HB2 . 15217 1 747 . 1 1 62 62 ARG HB3 H 1 2.03 0.02 . 2 . . . . 62 ARG HB3 . 15217 1 748 . 1 1 62 62 ARG HG2 H 1 1.66 0.02 . 2 . . . . 62 ARG HG2 . 15217 1 749 . 1 1 62 62 ARG HG3 H 1 1.59 0.02 . 2 . . . . 62 ARG HG3 . 15217 1 750 . 1 1 62 62 ARG HD2 H 1 3.26 0.02 . 2 . . . . 62 ARG HD2 . 15217 1 751 . 1 1 62 62 ARG HD3 H 1 3.17 0.02 . 2 . . . . 62 ARG HD3 . 15217 1 752 . 1 1 62 62 ARG HE H 1 7.35 0.02 . 1 . . . . 62 ARG HE . 15217 1 753 . 1 1 62 62 ARG CA C 13 54.95 0.2 . 1 . . . . 62 ARG CA . 15217 1 754 . 1 1 62 62 ARG CB C 13 30.8 0.2 . 1 . . . . 62 ARG CB . 15217 1 755 . 1 1 62 62 ARG CG C 13 27.51 0.2 . 1 . . . . 62 ARG CG . 15217 1 756 . 1 1 62 62 ARG CD C 13 43.3 0.2 . 1 . . . . 62 ARG CD . 15217 1 757 . 1 1 62 62 ARG N N 15 122.5 0.2 . 1 . . . . 62 ARG N . 15217 1 758 . 1 1 62 62 ARG NE N 15 84.5 0.2 . 1 . . . . 62 ARG NE . 15217 1 759 . 1 1 63 63 GLY H H 1 9.37 0.02 . 1 . . . . 63 GLY H . 15217 1 760 . 1 1 63 63 GLY HA2 H 1 5.44 0.02 . 2 . . . . 63 GLY HA2 . 15217 1 761 . 1 1 63 63 GLY HA3 H 1 3.46 0.02 . 2 . . . . 63 GLY HA3 . 15217 1 762 . 1 1 63 63 GLY CA C 13 45.0 0.2 . 1 . . . . 63 GLY CA . 15217 1 763 . 1 1 63 63 GLY N N 15 112.7 0.2 . 1 . . . . 63 GLY N . 15217 1 764 . 1 1 64 64 GLU H H 1 9.09 0.02 . 1 . . . . 64 GLU H . 15217 1 765 . 1 1 64 64 GLU HA H 1 5.41 0.02 . 1 . . . . 64 GLU HA . 15217 1 766 . 1 1 64 64 GLU HB2 H 1 1.97 0.02 . 2 . . . . 64 GLU HB2 . 15217 1 767 . 1 1 64 64 GLU HB3 H 1 2.06 0.02 . 2 . . . . 64 GLU HB3 . 15217 1 768 . 1 1 64 64 GLU HG2 H 1 2.18 0.02 . 2 . . . . 64 GLU HG2 . 15217 1 769 . 1 1 64 64 GLU HG3 H 1 2.20 0.02 . 2 . . . . 64 GLU HG3 . 15217 1 770 . 1 1 64 64 GLU CA C 13 53.16 0.2 . 1 . . . . 64 GLU CA . 15217 1 771 . 1 1 64 64 GLU CB C 13 33.5 0.2 . 1 . . . . 64 GLU CB . 15217 1 772 . 1 1 64 64 GLU CG C 13 35.0 0.2 . 1 . . . . 64 GLU CG . 15217 1 773 . 1 1 64 64 GLU N N 15 118.4 0.2 . 1 . . . . 64 GLU N . 15217 1 774 . 1 1 65 65 MET H H 1 9.32 0.02 . 1 . . . . 65 MET H . 15217 1 775 . 1 1 65 65 MET HA H 1 5.07 0.02 . 1 . . . . 65 MET HA . 15217 1 776 . 1 1 65 65 MET HB2 H 1 2.04 0.02 . 2 . . . . 65 MET HB2 . 15217 1 777 . 1 1 65 65 MET HB3 H 1 2.50 0.02 . 2 . . . . 65 MET HB3 . 15217 1 778 . 1 1 65 65 MET HG2 H 1 2.66 0.02 . 2 . . . . 65 MET HG2 . 15217 1 779 . 1 1 65 65 MET HG3 H 1 2.46 0.02 . 2 . . . . 65 MET HG3 . 15217 1 780 . 1 1 65 65 MET HE1 H 1 2.0 0.02 . 1 . . . . 65 MET HE . 15217 1 781 . 1 1 65 65 MET HE2 H 1 2.0 0.02 . 1 . . . . 65 MET HE . 15217 1 782 . 1 1 65 65 MET HE3 H 1 2.0 0.02 . 1 . . . . 65 MET HE . 15217 1 783 . 1 1 65 65 MET CA C 13 56.7 0.2 . 1 . . . . 65 MET CA . 15217 1 784 . 1 1 65 65 MET CB C 13 34.5 0.2 . 1 . . . . 65 MET CB . 15217 1 785 . 1 1 65 65 MET CG C 13 31.48 0.2 . 1 . . . . 65 MET CG . 15217 1 786 . 1 1 65 65 MET CE C 13 16.87 0.2 . 1 . . . . 65 MET CE . 15217 1 787 . 1 1 65 65 MET N N 15 124.9 0.2 . 1 . . . . 65 MET N . 15217 1 788 . 1 1 66 66 THR H H 1 8.97 0.02 . 1 . . . . 66 THR H . 15217 1 789 . 1 1 66 66 THR HA H 1 4.48 0.02 . 1 . . . . 66 THR HA . 15217 1 790 . 1 1 66 66 THR HB H 1 4.44 0.02 . 1 . . . . 66 THR HB . 15217 1 791 . 1 1 66 66 THR HG21 H 1 1.24 0.02 . 1 . . . . 66 THR HG2 . 15217 1 792 . 1 1 66 66 THR HG22 H 1 1.24 0.02 . 1 . . . . 66 THR HG2 . 15217 1 793 . 1 1 66 66 THR HG23 H 1 1.24 0.02 . 1 . . . . 66 THR HG2 . 15217 1 794 . 1 1 66 66 THR CA C 13 61.97 0.2 . 1 . . . . 66 THR CA . 15217 1 795 . 1 1 66 66 THR CB C 13 69.16 0.2 . 1 . . . . 66 THR CB . 15217 1 796 . 1 1 66 66 THR CG2 C 13 23.4 0.2 . 1 . . . . 66 THR CG2 . 15217 1 797 . 1 1 66 66 THR N N 15 120.3 0.2 . 1 . . . . 66 THR N . 15217 1 798 . 1 1 67 67 ASN H H 1 7.85 0.02 . 1 . . . . 67 ASN H . 15217 1 799 . 1 1 67 67 ASN HA H 1 4.85 0.02 . 1 . . . . 67 ASN HA . 15217 1 800 . 1 1 67 67 ASN HB2 H 1 2.54 0.02 . 2 . . . . 67 ASN HB2 . 15217 1 801 . 1 1 67 67 ASN HB3 H 1 2.70 0.02 . 2 . . . . 67 ASN HB3 . 15217 1 802 . 1 1 67 67 ASN HD21 H 1 6.80 0.02 . 2 . . . . 67 ASN HD21 . 15217 1 803 . 1 1 67 67 ASN HD22 H 1 7.43 0.02 . 2 . . . . 67 ASN HD22 . 15217 1 804 . 1 1 67 67 ASN CA C 13 54.24 0.2 . 1 . . . . 67 ASN CA . 15217 1 805 . 1 1 67 67 ASN CB C 13 41.9 0.2 . 1 . . . . 67 ASN CB . 15217 1 806 . 1 1 67 67 ASN N N 15 119.2 0.2 . 1 . . . . 67 ASN N . 15217 1 807 . 1 1 67 67 ASN ND2 N 15 111.7 0.2 . 1 . . . . 67 ASN ND2 . 15217 1 808 . 1 1 68 68 TYR H H 1 8.72 0.02 . 1 . . . . 68 TYR H . 15217 1 809 . 1 1 68 68 TYR HA H 1 4.611 0.02 . 1 . . . . 68 TYR HA . 15217 1 810 . 1 1 68 68 TYR HB2 H 1 2.688 0.02 . 1 . . . . 68 TYR HB2 . 15217 1 811 . 1 1 68 68 TYR HB3 H 1 2.688 0.02 . 1 . . . . 68 TYR HB3 . 15217 1 812 . 1 1 68 68 TYR CA C 13 54.6 0.2 . 1 . . . . 68 TYR CA . 15217 1 813 . 1 1 68 68 TYR CB C 13 41.18 0.2 . 1 . . . . 68 TYR CB . 15217 1 814 . 1 1 68 68 TYR N N 15 123.2 0.2 . 1 . . . . 68 TYR N . 15217 1 815 . 1 1 69 69 SER H H 1 8.16 0.02 . 1 . . . . 69 SER H . 15217 1 816 . 1 1 69 69 SER HA H 1 4.45 0.02 . 1 . . . . 69 SER HA . 15217 1 817 . 1 1 69 69 SER HB2 H 1 3.88 0.02 . 2 . . . . 69 SER HB2 . 15217 1 818 . 1 1 69 69 SER HB3 H 1 3.96 0.02 . 2 . . . . 69 SER HB2 . 15217 1 819 . 1 1 69 69 SER CA C 13 58.913 0.2 . 1 . . . . 69 SER CA . 15217 1 820 . 1 1 69 69 SER CB C 13 65.0 0.2 . 1 . . . . 69 SER CB . 15217 1 821 . 1 1 69 69 SER N N 15 115.0 0.2 . 1 . . . . 69 SER N . 15217 1 822 . 1 1 70 70 THR H H 1 8.25 0.02 . 1 . . . . 70 THR H . 15217 1 823 . 1 1 70 70 THR HA H 1 4.20 0.02 . 1 . . . . 70 THR HA . 15217 1 824 . 1 1 70 70 THR HB H 1 4.045 0.02 . 1 . . . . 70 THR HB . 15217 1 825 . 1 1 70 70 THR HG21 H 1 1.12 0.02 . 1 . . . . 70 THR HG2 . 15217 1 826 . 1 1 70 70 THR HG22 H 1 1.12 0.02 . 1 . . . . 70 THR HG2 . 15217 1 827 . 1 1 70 70 THR HG23 H 1 1.12 0.02 . 1 . . . . 70 THR HG2 . 15217 1 828 . 1 1 70 70 THR CA C 13 62.2 0.2 . 1 . . . . 70 THR CA . 15217 1 829 . 1 1 70 70 THR CB C 13 70.06 0.2 . 1 . . . . 70 THR CB . 15217 1 830 . 1 1 70 70 THR CG2 C 13 21.263 0.2 . 1 . . . . 70 THR CG2 . 15217 1 831 . 1 1 70 70 THR N N 15 111.0 0.2 . 1 . . . . 70 THR N . 15217 1 832 . 1 1 71 71 SER HA H 1 4.61 0.02 . 1 . . . . 71 SER HA . 15217 1 833 . 1 1 71 71 SER HB2 H 1 4.11 0.02 . 2 . . . . 71 SER HB2 . 15217 1 834 . 1 1 71 71 SER HB3 H 1 4.14 0.02 . 2 . . . . 71 SER HB3 . 15217 1 835 . 1 1 71 71 SER CA C 13 58.1 0.2 . 1 . . . . 71 SER CA . 15217 1 836 . 1 1 71 71 SER CB C 13 63.6 0.2 . 1 . . . . 71 SER CB . 15217 1 837 . 1 1 72 72 LEU H H 1 8.29 0.02 . 1 . . . . 72 LEU H . 15217 1 838 . 1 1 72 72 LEU HA H 1 4.30 0.02 . 1 . . . . 72 LEU HA . 15217 1 839 . 1 1 72 72 LEU HB2 H 1 1.73 0.02 . 2 . . . . 72 LEU HB2 . 15217 1 840 . 1 1 72 72 LEU HB3 H 1 1.41 0.02 . 2 . . . . 72 LEU HB3 . 15217 1 841 . 1 1 72 72 LEU HD11 H 1 0.67 0.02 . 2 . . . . 72 LEU HD1 . 15217 1 842 . 1 1 72 72 LEU HD12 H 1 0.67 0.02 . 2 . . . . 72 LEU HD1 . 15217 1 843 . 1 1 72 72 LEU HD13 H 1 0.67 0.02 . 2 . . . . 72 LEU HD1 . 15217 1 844 . 1 1 72 72 LEU HD21 H 1 0.60 0.02 . 2 . . . . 72 LEU HD2 . 15217 1 845 . 1 1 72 72 LEU HD22 H 1 0.60 0.02 . 2 . . . . 72 LEU HD2 . 15217 1 846 . 1 1 72 72 LEU HD23 H 1 0.60 0.02 . 2 . . . . 72 LEU HD2 . 15217 1 847 . 1 1 72 72 LEU CA C 13 56.5 0.2 . 1 . . . . 72 LEU CA . 15217 1 848 . 1 1 72 72 LEU CB C 13 40.6 0.2 . 1 . . . . 72 LEU CB . 15217 1 849 . 1 1 72 72 LEU CG C 13 26.5 0.2 . 1 . . . . 72 LEU CG . 15217 1 850 . 1 1 72 72 LEU CD1 C 13 26.5 0.2 . 2 . . . . 72 LEU CD1 . 15217 1 851 . 1 1 72 72 LEU CD2 C 13 21.1 0.2 . 2 . . . . 72 LEU CD2 . 15217 1 852 . 1 1 72 72 LEU N N 15 122.3 0.2 . 1 . . . . 72 LEU N . 15217 1 853 . 1 1 73 73 THR H H 1 8.00 0.02 . 1 . . . . 73 THR H . 15217 1 854 . 1 1 73 73 THR HA H 1 5.11 0.02 . 1 . . . . 73 THR HA . 15217 1 855 . 1 1 73 73 THR HB H 1 4.05 0.02 . 1 . . . . 73 THR HB . 15217 1 856 . 1 1 73 73 THR HG21 H 1 0.51 0.02 . 1 . . . . 73 THR HG2 . 15217 1 857 . 1 1 73 73 THR HG22 H 1 0.51 0.02 . 1 . . . . 73 THR HG2 . 15217 1 858 . 1 1 73 73 THR HG23 H 1 0.51 0.02 . 1 . . . . 73 THR HG2 . 15217 1 859 . 1 1 73 73 THR CA C 13 59.3 0.2 . 1 . . . . 73 THR CA . 15217 1 860 . 1 1 73 73 THR CB C 13 71.95 0.2 . 1 . . . . 73 THR CB . 15217 1 861 . 1 1 73 73 THR CG2 C 13 20.6 0.2 . 1 . . . . 73 THR CG2 . 15217 1 862 . 1 1 74 74 ASN H H 1 8.37 0.02 . 1 . . . . 74 ASN H . 15217 1 863 . 1 1 74 74 ASN HA H 1 4.66 0.02 . 1 . . . . 74 ASN HA . 15217 1 864 . 1 1 74 74 ASN HB2 H 1 2.80 0.02 . 2 . . . . 74 ASN HB2 . 15217 1 865 . 1 1 74 74 ASN HB3 H 1 2.70 0.02 . 2 . . . . 74 ASN HB3 . 15217 1 866 . 1 1 74 74 ASN HD21 H 1 6.97 0.02 . 2 . . . . 74 ASN HD21 . 15217 1 867 . 1 1 74 74 ASN HD22 H 1 7.64 0.02 . 2 . . . . 74 ASN HD22 . 15217 1 868 . 1 1 74 74 ASN CA C 13 52.78 0.2 . 1 . . . . 74 ASN CA . 15217 1 869 . 1 1 74 74 ASN CB C 13 38.36 0.2 . 1 . . . . 74 ASN CB . 15217 1 870 . 1 1 74 74 ASN N N 15 121.5 0.2 . 1 . . . . 74 ASN N . 15217 1 871 . 1 1 74 74 ASN ND2 N 15 112.1 0.2 . 1 . . . . 74 ASN ND2 . 15217 1 872 . 1 1 75 75 LEU H H 1 8.02 0.02 . 1 . . . . 75 LEU H . 15217 1 873 . 1 1 75 75 LEU HA H 1 3.97 0.02 . 1 . . . . 75 LEU HA . 15217 1 874 . 1 1 75 75 LEU HB2 H 1 1.12 0.02 . 2 . . . . 75 LEU HB2 . 15217 1 875 . 1 1 75 75 LEU HB3 H 1 1.17 0.02 . 2 . . . . 75 LEU HB3 . 15217 1 876 . 1 1 75 75 LEU HG H 1 1.24 0.02 . 1 . . . . 75 LEU HG . 15217 1 877 . 1 1 75 75 LEU HD11 H 1 0.52 0.02 . 1 . . . . 75 LEU HD1 . 15217 1 878 . 1 1 75 75 LEU HD12 H 1 0.52 0.02 . 1 . . . . 75 LEU HD1 . 15217 1 879 . 1 1 75 75 LEU HD13 H 1 0.52 0.02 . 1 . . . . 75 LEU HD1 . 15217 1 880 . 1 1 75 75 LEU HD21 H 1 0.50 0.02 . 1 . . . . 75 LEU HD2 . 15217 1 881 . 1 1 75 75 LEU HD22 H 1 0.50 0.02 . 1 . . . . 75 LEU HD2 . 15217 1 882 . 1 1 75 75 LEU HD23 H 1 0.50 0.02 . 1 . . . . 75 LEU HD2 . 15217 1 883 . 1 1 75 75 LEU CA C 13 55.5 0.2 . 1 . . . . 75 LEU CA . 15217 1 884 . 1 1 75 75 LEU CB C 13 41.8 0.2 . 1 . . . . 75 LEU CB . 15217 1 885 . 1 1 75 75 LEU CG C 13 26.7 0.2 . 1 . . . . 75 LEU CG . 15217 1 886 . 1 1 75 75 LEU CD1 C 13 24.9 0.2 . 1 . . . . 75 LEU CD1 . 15217 1 887 . 1 1 75 75 LEU CD2 C 13 23.7 0.2 . 1 . . . . 75 LEU CD2 . 15217 1 888 . 1 1 75 75 LEU N N 15 123.2 0.2 . 1 . . . . 75 LEU N . 15217 1 889 . 1 1 76 76 TYR H H 1 7.93 0.02 . 1 . . . . 76 TYR H . 15217 1 890 . 1 1 76 76 TYR HA H 1 4.45 0.02 . 1 . . . . 76 TYR HA . 15217 1 891 . 1 1 76 76 TYR HB2 H 1 3.16 0.02 . 2 . . . . 76 TYR HB2 . 15217 1 892 . 1 1 76 76 TYR HB3 H 1 2.90 0.02 . 2 . . . . 76 TYR HB3 . 15217 1 893 . 1 1 76 76 TYR HD1 H 1 7.06 0.02 . 1 . . . . 76 TYR HD1 . 15217 1 894 . 1 1 76 76 TYR HD2 H 1 7.06 0.02 . 1 . . . . 76 TYR HD2 . 15217 1 895 . 1 1 76 76 TYR HE1 H 1 6.77 0.02 . 1 . . . . 76 TYR HE1 . 15217 1 896 . 1 1 76 76 TYR HE2 H 1 6.77 0.02 . 1 . . . . 76 TYR HE2 . 15217 1 897 . 1 1 76 76 TYR CA C 13 58.0 0.2 . 1 . . . . 76 TYR CA . 15217 1 898 . 1 1 76 76 TYR CB C 13 37.7 0.2 . 1 . . . . 76 TYR CB . 15217 1 899 . 1 1 76 76 TYR CD1 C 13 133.1 0.2 . 1 . . . . 76 TYR CD1 . 15217 1 900 . 1 1 76 76 TYR CD2 C 13 133.1 0.2 . 1 . . . . 76 TYR CD2 . 15217 1 901 . 1 1 76 76 TYR CE1 C 13 118.0 0.2 . 1 . . . . 76 TYR CE1 . 15217 1 902 . 1 1 76 76 TYR CE2 C 13 118.0 0.2 . 1 . . . . 76 TYR CE2 . 15217 1 903 . 1 1 76 76 TYR N N 15 116.1 0.2 . 1 . . . . 76 TYR N . 15217 1 904 . 1 1 77 77 GLU H H 1 7.41 0.02 . 1 . . . . 77 GLU H . 15217 1 905 . 1 1 77 77 GLU HA H 1 4.65 0.02 . 1 . . . . 77 GLU HA . 15217 1 906 . 1 1 77 77 GLU HB2 H 1 2.02 0.02 . 2 . . . . 77 GLU HB2 . 15217 1 907 . 1 1 77 77 GLU HB3 H 1 1.88 0.02 . 2 . . . . 77 GLU HB3 . 15217 1 908 . 1 1 77 77 GLU HG2 H 1 2.216 0.02 . 1 . . . . 77 GLU HG2 . 15217 1 909 . 1 1 77 77 GLU HG3 H 1 2.216 0.02 . 1 . . . . 77 GLU HG3 . 15217 1 910 . 1 1 77 77 GLU CA C 13 53.7 0.2 . 1 . . . . 77 GLU CA . 15217 1 911 . 1 1 77 77 GLU CB C 13 30.2 0.2 . 1 . . . . 77 GLU CB . 15217 1 912 . 1 1 77 77 GLU CG C 13 35.8 0.2 . 1 . . . . 77 GLU CG . 15217 1 913 . 1 1 77 77 GLU N N 15 122.3 0.2 . 1 . . . . 77 GLU N . 15217 1 914 . 1 1 78 78 PRO HA H 1 4.34 0.02 . 1 . . . . 78 PRO HA . 15217 1 915 . 1 1 78 78 PRO HB2 H 1 2.27 0.02 . 2 . . . . 78 PRO HB2 . 15217 1 916 . 1 1 78 78 PRO HB3 H 1 1.93 0.02 . 2 . . . . 78 PRO HB3 . 15217 1 917 . 1 1 78 78 PRO HG2 H 1 1.99 0.02 . 2 . . . . 78 PRO HG2 . 15217 1 918 . 1 1 78 78 PRO HG3 H 1 2.13 0.02 . 2 . . . . 78 PRO HG3 . 15217 1 919 . 1 1 78 78 PRO HD2 H 1 3.71 0.02 . 2 . . . . 78 PRO HD2 . 15217 1 920 . 1 1 78 78 PRO HD3 H 1 3.92 0.02 . 2 . . . . 78 PRO HD3 . 15217 1 921 . 1 1 78 78 PRO CA C 13 64.0 0.2 . 1 . . . . 78 PRO CA . 15217 1 922 . 1 1 78 78 PRO CB C 13 31.74 0.2 . 1 . . . . 78 PRO CB . 15217 1 923 . 1 1 78 78 PRO CG C 13 27.77 0.2 . 1 . . . . 78 PRO CG . 15217 1 924 . 1 1 78 78 PRO CD C 13 50.88 0.2 . 1 . . . . 78 PRO CD . 15217 1 925 . 1 1 79 79 GLY H H 1 8.98 0.02 . 1 . . . . 79 GLY H . 15217 1 926 . 1 1 79 79 GLY HA2 H 1 3.822 0.02 . 2 . . . . 79 GLY HA2 . 15217 1 927 . 1 1 79 79 GLY HA3 H 1 4.09 0.02 . 2 . . . . 79 GLY HA3 . 15217 1 928 . 1 1 79 79 GLY CA C 13 45.57 0.2 . 1 . . . . 79 GLY CA . 15217 1 929 . 1 1 79 79 GLY N N 15 112.3 0.2 . 1 . . . . 79 GLY N . 15217 1 930 . 1 1 80 80 ALA H H 1 7.67 0.02 . 1 . . . . 80 ALA H . 15217 1 931 . 1 1 80 80 ALA HA H 1 4.30 0.02 . 1 . . . . 80 ALA HA . 15217 1 932 . 1 1 80 80 ALA HB1 H 1 1.41 0.02 . 1 . . . . 80 ALA HB . 15217 1 933 . 1 1 80 80 ALA HB2 H 1 1.41 0.02 . 1 . . . . 80 ALA HB . 15217 1 934 . 1 1 80 80 ALA HB3 H 1 1.41 0.02 . 1 . . . . 80 ALA HB . 15217 1 935 . 1 1 80 80 ALA CA C 13 52.88 0.2 . 1 . . . . 80 ALA CA . 15217 1 936 . 1 1 80 80 ALA CB C 13 20.67 0.2 . 1 . . . . 80 ALA CB . 15217 1 937 . 1 1 80 80 ALA N N 15 123.2 0.2 . 1 . . . . 80 ALA N . 15217 1 938 . 1 1 81 81 VAL H H 1 8.28 0.02 . 1 . . . . 81 VAL H . 15217 1 939 . 1 1 81 81 VAL HA H 1 4.41 0.02 . 1 . . . . 81 VAL HA . 15217 1 940 . 1 1 81 81 VAL HB H 1 1.905 0.02 . 1 . . . . 81 VAL HB . 15217 1 941 . 1 1 81 81 VAL HG11 H 1 0.88 0.02 . 2 . . . . 81 VAL HG1 . 15217 1 942 . 1 1 81 81 VAL HG12 H 1 0.88 0.02 . 2 . . . . 81 VAL HG1 . 15217 1 943 . 1 1 81 81 VAL HG13 H 1 0.88 0.02 . 2 . . . . 81 VAL HG1 . 15217 1 944 . 1 1 81 81 VAL HG21 H 1 0.81 0.02 . 2 . . . . 81 VAL HG2 . 15217 1 945 . 1 1 81 81 VAL HG22 H 1 0.81 0.02 . 2 . . . . 81 VAL HG2 . 15217 1 946 . 1 1 81 81 VAL HG23 H 1 0.81 0.02 . 2 . . . . 81 VAL HG2 . 15217 1 947 . 1 1 81 81 VAL CA C 13 61.54 0.2 . 1 . . . . 81 VAL CA . 15217 1 948 . 1 1 81 81 VAL CB C 13 34.0 0.2 . 1 . . . . 81 VAL CB . 15217 1 949 . 1 1 81 81 VAL CG1 C 13 20.97 0.2 . 2 . . . . 81 VAL CG1 . 15217 1 950 . 1 1 81 81 VAL CG2 C 13 21.34 0.2 . 2 . . . . 81 VAL CG2 . 15217 1 951 . 1 1 82 82 SER H H 1 8.97 0.02 . 1 . . . . 82 SER H . 15217 1 952 . 1 1 82 82 SER HA H 1 4.685 0.02 . 1 . . . . 82 SER HA . 15217 1 953 . 1 1 82 82 SER HB2 H 1 3.62 0.02 . 2 . . . . 82 SER HB2 . 15217 1 954 . 1 1 82 82 SER HB3 H 1 3.69 0.02 . 2 . . . . 82 SER HB3 . 15217 1 955 . 1 1 82 82 SER CA C 13 57.18 0.2 . 1 . . . . 82 SER CA . 15217 1 956 . 1 1 82 82 SER CB C 13 65.2 0.2 . 1 . . . . 82 SER CB . 15217 1 957 . 1 1 82 82 SER N N 15 122.0 0.2 . 1 . . . . 82 SER N . 15217 1 958 . 1 1 83 83 GLU H H 1 8.36 0.02 . 1 . . . . 83 GLU H . 15217 1 959 . 1 1 83 83 GLU HA H 1 4.50 0.02 . 1 . . . . 83 GLU HA . 15217 1 960 . 1 1 83 83 GLU HB2 H 1 1.95 0.02 . 2 . . . . 83 GLU HB2 . 15217 1 961 . 1 1 83 83 GLU HB3 H 1 1.81 0.02 . 2 . . . . 83 GLU HB3 . 15217 1 962 . 1 1 83 83 GLU HG2 H 1 2.15 0.02 . 1 . . . . 83 GLU HG2 . 15217 1 963 . 1 1 83 83 GLU HG3 H 1 2.15 0.02 . 1 . . . . 83 GLU HG3 . 15217 1 964 . 1 1 83 83 GLU CA C 13 53.02 0.2 . 1 . . . . 83 GLU CA . 15217 1 965 . 1 1 83 83 GLU CB C 13 31.8 0.2 . 1 . . . . 83 GLU CB . 15217 1 966 . 1 1 83 83 GLU CG C 13 35.4 0.2 . 1 . . . . 83 GLU CG . 15217 1 967 . 1 1 83 83 GLU N N 15 122.8 0.2 . 1 . . . . 83 GLU N . 15217 1 968 . 1 1 84 84 PHE H H 1 9.16 0.02 . 1 . . . . 84 PHE H . 15217 1 969 . 1 1 84 84 PHE HA H 1 4.92 0.02 . 1 . . . . 84 PHE HA . 15217 1 970 . 1 1 84 84 PHE HB2 H 1 2.80 0.02 . 2 . . . . 84 PHE HB2 . 15217 1 971 . 1 1 84 84 PHE HB3 H 1 3.12 0.02 . 2 . . . . 84 PHE HB3 . 15217 1 972 . 1 1 84 84 PHE HD1 H 1 7.03 0.02 . 1 . . . . 84 PHE HD1 . 15217 1 973 . 1 1 84 84 PHE HD2 H 1 7.03 0.02 . 1 . . . . 84 PHE HD2 . 15217 1 974 . 1 1 84 84 PHE HE1 H 1 7.20 0.02 . 1 . . . . 84 PHE HE1 . 15217 1 975 . 1 1 84 84 PHE HE2 H 1 7.20 0.02 . 1 . . . . 84 PHE HE2 . 15217 1 976 . 1 1 84 84 PHE HZ H 1 7.03 0.02 . 1 . . . . 84 PHE HZ . 15217 1 977 . 1 1 84 84 PHE CA C 13 54.84 0.2 . 1 . . . . 84 PHE CA . 15217 1 978 . 1 1 84 84 PHE CB C 13 40.69 0.2 . 1 . . . . 84 PHE CB . 15217 1 979 . 1 1 84 84 PHE CD1 C 13 130.0 0.2 . 1 . . . . 84 PHE CD1 . 15217 1 980 . 1 1 84 84 PHE CD2 C 13 130.0 0.2 . 1 . . . . 84 PHE CD2 . 15217 1 981 . 1 1 84 84 PHE CE1 C 13 131.3 0.2 . 1 . . . . 84 PHE CE1 . 15217 1 982 . 1 1 84 84 PHE CE2 C 13 131.3 0.2 . 1 . . . . 84 PHE CE2 . 15217 1 983 . 1 1 84 84 PHE CZ C 13 130.6 0.2 . 1 . . . . 84 PHE CZ . 15217 1 984 . 1 1 84 84 PHE N N 15 123.8 0.2 . 1 . . . . 84 PHE N . 15217 1 985 . 1 1 85 85 TYR H H 1 8.81 0.02 . 1 . . . . 85 TYR H . 15217 1 986 . 1 1 85 85 TYR HA H 1 5.05 0.02 . 1 . . . . 85 TYR HA . 15217 1 987 . 1 1 85 85 TYR HB2 H 1 2.83 0.02 . 1 . . . . 85 TYR HB2 . 15217 1 988 . 1 1 85 85 TYR HB3 H 1 2.83 0.02 . 1 . . . . 85 TYR HB3 . 15217 1 989 . 1 1 85 85 TYR HD1 H 1 6.95 0.02 . 1 . . . . 85 TYR HD1 . 15217 1 990 . 1 1 85 85 TYR HD2 H 1 6.95 0.02 . 1 . . . . 85 TYR HD2 . 15217 1 991 . 1 1 85 85 TYR HE1 H 1 6.55 0.02 . 1 . . . . 85 TYR HE1 . 15217 1 992 . 1 1 85 85 TYR HE2 H 1 6.55 0.02 . 1 . . . . 85 TYR HE2 . 15217 1 993 . 1 1 85 85 TYR CA C 13 56.19 0.2 . 1 . . . . 85 TYR CA . 15217 1 994 . 1 1 85 85 TYR CB C 13 37.8 0.2 . 1 . . . . 85 TYR CB . 15217 1 995 . 1 1 85 85 TYR CD1 C 13 133.2 0.2 . 1 . . . . 85 TYR CD1 . 15217 1 996 . 1 1 85 85 TYR CD2 C 13 133.2 0.2 . 1 . . . . 85 TYR CD2 . 15217 1 997 . 1 1 85 85 TYR CE1 C 13 118.2 0.2 . 1 . . . . 85 TYR CE1 . 15217 1 998 . 1 1 85 85 TYR CE2 C 13 118.2 0.2 . 1 . . . . 85 TYR CE2 . 15217 1 999 . 1 1 85 85 TYR N N 15 123.6 0.2 . 1 . . . . 85 TYR N . 15217 1 1000 . 1 1 86 86 ILE H H 1 8.34 0.02 . 1 . . . . 86 ILE H . 15217 1 1001 . 1 1 86 86 ILE HA H 1 4.52 0.02 . 1 . . . . 86 ILE HA . 15217 1 1002 . 1 1 86 86 ILE HB H 1 0.36 0.02 . 1 . . . . 86 ILE HB . 15217 1 1003 . 1 1 86 86 ILE HG12 H 1 1.13 0.02 . 2 . . . . 86 ILE HG12 . 15217 1 1004 . 1 1 86 86 ILE HG13 H 1 1.22 0.02 . 2 . . . . 86 ILE HG13 . 15217 1 1005 . 1 1 86 86 ILE HG21 H 1 0.69 0.02 . 1 . . . . 86 ILE HG2 . 15217 1 1006 . 1 1 86 86 ILE HG22 H 1 0.69 0.02 . 1 . . . . 86 ILE HG2 . 15217 1 1007 . 1 1 86 86 ILE HG23 H 1 0.69 0.02 . 1 . . . . 86 ILE HG2 . 15217 1 1008 . 1 1 86 86 ILE HD11 H 1 0.83 0.02 . 1 . . . . 86 ILE HD1 . 15217 1 1009 . 1 1 86 86 ILE HD12 H 1 0.83 0.02 . 1 . . . . 86 ILE HD1 . 15217 1 1010 . 1 1 86 86 ILE HD13 H 1 0.83 0.02 . 1 . . . . 86 ILE HD1 . 15217 1 1011 . 1 1 86 86 ILE CA C 13 59.34 0.2 . 1 . . . . 86 ILE CA . 15217 1 1012 . 1 1 86 86 ILE CB C 13 40.3 0.2 . 1 . . . . 86 ILE CB . 15217 1 1013 . 1 1 86 86 ILE CG1 C 13 28.02 0.2 . 1 . . . . 86 ILE CG1 . 15217 1 1014 . 1 1 86 86 ILE CG2 C 13 19.66 0.2 . 1 . . . . 86 ILE CG2 . 15217 1 1015 . 1 1 86 86 ILE CD1 C 13 14.8 0.2 . 1 . . . . 86 ILE CD1 . 15217 1 1016 . 1 1 86 86 ILE N N 15 126.2 0.2 . 1 . . . . 86 ILE N . 15217 1 1017 . 1 1 87 87 GLU H H 1 8.20 0.02 . 1 . . . . 87 GLU H . 15217 1 1018 . 1 1 87 87 GLU HA H 1 5.33 0.02 . 1 . . . . 87 GLU HA . 15217 1 1019 . 1 1 87 87 GLU HB2 H 1 1.81 0.02 . 1 . . . . 87 GLU HB2 . 15217 1 1020 . 1 1 87 87 GLU HB3 H 1 1.81 0.02 . 1 . . . . 87 GLU HB3 . 15217 1 1021 . 1 1 87 87 GLU HG2 H 1 2.08 0.02 . 2 . . . . 87 GLU HG2 . 15217 1 1022 . 1 1 87 87 GLU HG3 H 1 2.00 0.02 . 2 . . . . 87 GLU HG3 . 15217 1 1023 . 1 1 87 87 GLU CA C 13 54.5 0.2 . 1 . . . . 87 GLU CA . 15217 1 1024 . 1 1 87 87 GLU CB C 13 34.1 0.2 . 1 . . . . 87 GLU CB . 15217 1 1025 . 1 1 87 87 GLU CG C 13 36.93 0.2 . 1 . . . . 87 GLU CG . 15217 1 1026 . 1 1 87 87 GLU N N 15 124.6 0.2 . 1 . . . . 87 GLU N . 15217 1 1027 . 1 1 88 88 ILE H H 1 9.25 0.02 . 1 . . . . 88 ILE H . 15217 1 1028 . 1 1 88 88 ILE HA H 1 5.08 0.02 . 1 . . . . 88 ILE HA . 15217 1 1029 . 1 1 88 88 ILE HB H 1 1.725 0.02 . 1 . . . . 88 ILE HB . 15217 1 1030 . 1 1 88 88 ILE HG12 H 1 0.89 0.02 . 2 . . . . 88 ILE HG12 . 15217 1 1031 . 1 1 88 88 ILE HG13 H 1 1.72 0.02 . 2 . . . . 88 ILE HG13 . 15217 1 1032 . 1 1 88 88 ILE HG21 H 1 0.92 0.02 . 1 . . . . 88 ILE HG2 . 15217 1 1033 . 1 1 88 88 ILE HG22 H 1 0.92 0.02 . 1 . . . . 88 ILE HG2 . 15217 1 1034 . 1 1 88 88 ILE HG23 H 1 0.92 0.02 . 1 . . . . 88 ILE HG2 . 15217 1 1035 . 1 1 88 88 ILE HD11 H 1 0.69 0.02 . 1 . . . . 88 ILE HD1 . 15217 1 1036 . 1 1 88 88 ILE HD12 H 1 0.69 0.02 . 1 . . . . 88 ILE HD1 . 15217 1 1037 . 1 1 88 88 ILE HD13 H 1 0.69 0.02 . 1 . . . . 88 ILE HD1 . 15217 1 1038 . 1 1 88 88 ILE CA C 13 59.9 0.2 . 1 . . . . 88 ILE CA . 15217 1 1039 . 1 1 88 88 ILE CB C 13 42.1 0.2 . 1 . . . . 88 ILE CB . 15217 1 1040 . 1 1 88 88 ILE CG1 C 13 28.5 0.2 . 1 . . . . 88 ILE CG1 . 15217 1 1041 . 1 1 88 88 ILE CG2 C 13 17.95 0.2 . 1 . . . . 88 ILE CG2 . 15217 1 1042 . 1 1 88 88 ILE CD1 C 13 14.99 0.2 . 1 . . . . 88 ILE CD1 . 15217 1 1043 . 1 1 88 88 ILE N N 15 124.9 0.2 . 1 . . . . 88 ILE N . 15217 1 1044 . 1 1 89 89 THR H H 1 9.02 0.02 . 1 . . . . 89 THR H . 15217 1 1045 . 1 1 89 89 THR HA H 1 4.96 0.02 . 1 . . . . 89 THR HA . 15217 1 1046 . 1 1 89 89 THR HB H 1 3.98 0.02 . 1 . . . . 89 THR HB . 15217 1 1047 . 1 1 89 89 THR HG21 H 1 1.38 0.02 . 1 . . . . 89 THR HG2 . 15217 1 1048 . 1 1 89 89 THR HG22 H 1 1.38 0.02 . 1 . . . . 89 THR HG2 . 15217 1 1049 . 1 1 89 89 THR HG23 H 1 1.38 0.02 . 1 . . . . 89 THR HG2 . 15217 1 1050 . 1 1 89 89 THR CA C 13 61.6 0.2 . 1 . . . . 89 THR CA . 15217 1 1051 . 1 1 89 89 THR CB C 13 70.0 0.2 . 1 . . . . 89 THR CB . 15217 1 1052 . 1 1 89 89 THR CG2 C 13 21.6 0.2 . 1 . . . . 89 THR CG2 . 15217 1 1053 . 1 1 89 89 THR N N 15 122.9 0.2 . 1 . . . . 89 THR N . 15217 1 1054 . 1 1 90 90 GLU H H 1 8.91 0.02 . 1 . . . . 90 GLU H . 15217 1 1055 . 1 1 90 90 GLU HA H 1 4.73 0.02 . 1 . . . . 90 GLU HA . 15217 1 1056 . 1 1 90 90 GLU HB2 H 1 1.93 0.02 . 2 . . . . 90 GLU HB2 . 15217 1 1057 . 1 1 90 90 GLU HB3 H 1 1.54 0.02 . 2 . . . . 90 GLU HB3 . 15217 1 1058 . 1 1 90 90 GLU HG2 H 1 2.626 0.02 . 1 . . . . 90 GLU HG2 . 15217 1 1059 . 1 1 90 90 GLU HG3 H 1 2.626 0.02 . 1 . . . . 90 GLU HG3 . 15217 1 1060 . 1 1 90 90 GLU CA C 13 57.3 0.2 . 1 . . . . 90 GLU CA . 15217 1 1061 . 1 1 90 90 GLU CB C 13 30.57 0.2 . 1 . . . . 90 GLU CB . 15217 1 1062 . 1 1 90 90 GLU CG C 13 35.88 0.2 . 1 . . . . 90 GLU CG . 15217 1 1063 . 1 1 90 90 GLU N N 15 128.6 0.2 . 1 . . . . 90 GLU N . 15217 1 1064 . 1 1 91 91 ILE H H 1 8.55 0.02 . 1 . . . . 91 ILE H . 15217 1 1065 . 1 1 91 91 ILE HA H 1 4.23 0.02 . 1 . . . . 91 ILE HA . 15217 1 1066 . 1 1 91 91 ILE HB H 1 1.82 0.02 . 1 . . . . 91 ILE HB . 15217 1 1067 . 1 1 91 91 ILE HG12 H 1 1.49 0.02 . 2 . . . . 91 ILE HG12 . 15217 1 1068 . 1 1 91 91 ILE HG13 H 1 1.06 0.02 . 2 . . . . 91 ILE HG13 . 15217 1 1069 . 1 1 91 91 ILE HG21 H 1 0.96 0.02 . 1 . . . . 91 ILE HG2 . 15217 1 1070 . 1 1 91 91 ILE HG22 H 1 0.96 0.02 . 1 . . . . 91 ILE HG2 . 15217 1 1071 . 1 1 91 91 ILE HG23 H 1 0.96 0.02 . 1 . . . . 91 ILE HG2 . 15217 1 1072 . 1 1 91 91 ILE HD11 H 1 0.835 0.02 . 1 . . . . 91 ILE HD1 . 15217 1 1073 . 1 1 91 91 ILE HD12 H 1 0.835 0.02 . 1 . . . . 91 ILE HD1 . 15217 1 1074 . 1 1 91 91 ILE HD13 H 1 0.835 0.02 . 1 . . . . 91 ILE HD1 . 15217 1 1075 . 1 1 91 91 ILE CA C 13 61.4 0.2 . 1 . . . . 91 ILE CA . 15217 1 1076 . 1 1 91 91 ILE CB C 13 39.8 0.2 . 1 . . . . 91 ILE CB . 15217 1 1077 . 1 1 91 91 ILE CG1 C 13 27.4 0.2 . 1 . . . . 91 ILE CG1 . 15217 1 1078 . 1 1 91 91 ILE CG2 C 13 17.96 0.2 . 1 . . . . 91 ILE CG2 . 15217 1 1079 . 1 1 91 91 ILE CD1 C 13 14.6 0.2 . 1 . . . . 91 ILE CD1 . 15217 1 1080 . 1 1 91 91 ILE N N 15 124.6 0.2 . 1 . . . . 91 ILE N . 15217 1 1081 . 1 1 92 92 ASP H H 1 8.55 0.02 . 1 . . . . 92 ASP H . 15217 1 1082 . 1 1 92 92 ASP HA H 1 4.612 0.02 . 1 . . . . 92 ASP HA . 15217 1 1083 . 1 1 92 92 ASP HB2 H 1 2.65 0.02 . 2 . . . . 92 ASP HB2 . 15217 1 1084 . 1 1 92 92 ASP HB3 H 1 2.75 0.02 . 2 . . . . 92 ASP HB3 . 15217 1 1085 . 1 1 92 92 ASP CA C 13 54.37 0.2 . 1 . . . . 92 ASP CA . 15217 1 1086 . 1 1 92 92 ASP CB C 13 41.57 0.2 . 1 . . . . 92 ASP CB . 15217 1 1087 . 1 1 92 92 ASP N N 15 124.1 0.2 . 1 . . . . 92 ASP N . 15217 1 1088 . 1 1 93 93 LYS H H 1 8.53 0.02 . 1 . . . . 93 LYS H . 15217 1 1089 . 1 1 93 93 LYS HA H 1 4.24 0.02 . 1 . . . . 93 LYS HA . 15217 1 1090 . 1 1 93 93 LYS HB2 H 1 1.86 0.02 . 2 . . . . 93 LYS HB2 . 15217 1 1091 . 1 1 93 93 LYS HB3 H 1 1.85 0.02 . 2 . . . . 93 LYS HB3 . 15217 1 1092 . 1 1 93 93 LYS HG2 H 1 1.506 0.02 . 1 . . . . 93 LYS HG2 . 15217 1 1093 . 1 1 93 93 LYS HG3 H 1 1.506 0.02 . 1 . . . . 93 LYS HG3 . 15217 1 1094 . 1 1 93 93 LYS HD2 H 1 1.72 0.02 . 1 . . . . 93 LYS HD2 . 15217 1 1095 . 1 1 93 93 LYS HD3 H 1 1.72 0.02 . 1 . . . . 93 LYS HD3 . 15217 1 1096 . 1 1 93 93 LYS HE2 H 1 3.03 0.02 . 1 . . . . 93 LYS HE2 . 15217 1 1097 . 1 1 93 93 LYS HE3 H 1 3.03 0.02 . 1 . . . . 93 LYS HE3 . 15217 1 1098 . 1 1 93 93 LYS CA C 13 57.1 0.2 . 1 . . . . 93 LYS CA . 15217 1 1099 . 1 1 93 93 LYS CB C 13 32.9 0.2 . 1 . . . . 93 LYS CB . 15217 1 1100 . 1 1 93 93 LYS CG C 13 24.6 0.2 . 1 . . . . 93 LYS CG . 15217 1 1101 . 1 1 93 93 LYS CD C 13 29.1 0.2 . 1 . . . . 93 LYS CD . 15217 1 1102 . 1 1 93 93 LYS CE C 13 41.9 0.2 . 1 . . . . 93 LYS CE . 15217 1 1103 . 1 1 93 93 LYS N N 15 123.2 0.2 . 1 . . . . 93 LYS N . 15217 1 1104 . 1 1 94 94 ASN H H 1 8.59 0.02 . 1 . . . . 94 ASN H . 15217 1 1105 . 1 1 94 94 ASN HA H 1 4.68 0.02 . 1 . . . . 94 ASN HA . 15217 1 1106 . 1 1 94 94 ASN HB2 H 1 2.87 0.02 . 2 . . . . 94 ASN HB2 . 15217 1 1107 . 1 1 94 94 ASN HB3 H 1 2.80 0.02 . 2 . . . . 94 ASN HB3 . 15217 1 1108 . 1 1 94 94 ASN HD21 H 1 6.98 0.02 . 2 . . . . 94 ASN HD21 . 15217 1 1109 . 1 1 94 94 ASN HD22 H 1 7.76 0.02 . 2 . . . . 94 ASN HD22 . 15217 1 1110 . 1 1 94 94 ASN CA C 13 53.3 0.2 . 1 . . . . 94 ASN CA . 15217 1 1111 . 1 1 94 94 ASN CB C 13 38.7 0.2 . 1 . . . . 94 ASN CB . 15217 1 1112 . 1 1 94 94 ASN N N 15 118.8 0.2 . 1 . . . . 94 ASN N . 15217 1 1113 . 1 1 94 94 ASN ND2 N 15 113.6 0.2 . 1 . . . . 94 ASN ND2 . 15217 1 1114 . 1 1 95 95 ALA H H 1 8.11 0.02 . 1 . . . . 95 ALA H . 15217 1 1115 . 1 1 95 95 ALA HA H 1 4.27 0.02 . 1 . . . . 95 ALA HA . 15217 1 1116 . 1 1 95 95 ALA HB1 H 1 1.43 0.02 . 1 . . . . 95 ALA HB . 15217 1 1117 . 1 1 95 95 ALA HB2 H 1 1.43 0.02 . 1 . . . . 95 ALA HB . 15217 1 1118 . 1 1 95 95 ALA HB3 H 1 1.43 0.02 . 1 . . . . 95 ALA HB . 15217 1 1119 . 1 1 95 95 ALA CA C 13 53.16 0.2 . 1 . . . . 95 ALA CA . 15217 1 1120 . 1 1 95 95 ALA CB C 13 19.1 0.2 . 1 . . . . 95 ALA CB . 15217 1 1121 . 1 1 95 95 ALA N N 15 123.99 0.2 . 1 . . . . 95 ALA N . 15217 1 1122 . 1 1 96 96 ASP H H 1 8.29 0.02 . 1 . . . . 96 ASP H . 15217 1 1123 . 1 1 96 96 ASP HA H 1 4.61 0.02 . 1 . . . . 96 ASP HA . 15217 1 1124 . 1 1 96 96 ASP HB2 H 1 2.65 0.02 . 2 . . . . 96 ASP HB2 . 15217 1 1125 . 1 1 96 96 ASP HB3 H 1 2.73 0.02 . 2 . . . . 96 ASP HB3 . 15217 1 1126 . 1 1 96 96 ASP CA C 13 54.4 0.2 . 1 . . . . 96 ASP CA . 15217 1 1127 . 1 1 96 96 ASP CB C 13 41.3 0.2 . 1 . . . . 96 ASP CB . 15217 1 1128 . 1 1 96 96 ASP N N 15 119.1 0.2 . 1 . . . . 96 ASP N . 15217 1 1129 . 1 1 97 97 SER H H 1 8.15 0.02 . 1 . . . . 97 SER H . 15217 1 1130 . 1 1 97 97 SER HA H 1 4.38 0.02 . 1 . . . . 97 SER HA . 15217 1 1131 . 1 1 97 97 SER HB2 H 1 3.85 0.02 . 2 . . . . 97 SER HB2 . 15217 1 1132 . 1 1 97 97 SER HB3 H 1 3.93 0.02 . 2 . . . . 97 SER HB3 . 15217 1 1133 . 1 1 97 97 SER CA C 13 58.6 0.2 . 1 . . . . 97 SER CA . 15217 1 1134 . 1 1 97 97 SER CB C 13 63.6 0.2 . 1 . . . . 97 SER CB . 15217 1 1135 . 1 1 97 97 SER N N 15 115.8 0.2 . 1 . . . . 97 SER N . 15217 1 1136 . 1 1 98 98 LEU H H 1 8.24 0.02 . 1 . . . . 98 LEU H . 15217 1 1137 . 1 1 98 98 LEU HA H 1 4.26 0.02 . 1 . . . . 98 LEU HA . 15217 1 1138 . 1 1 98 98 LEU HB2 H 1 1.52 0.02 . 2 . . . . 98 LEU HB2 . 15217 1 1139 . 1 1 98 98 LEU HB3 H 1 1.64 0.02 . 2 . . . . 98 LEU HB3 . 15217 1 1140 . 1 1 98 98 LEU HG H 1 1.63 0.02 . 1 . . . . 98 LEU HG . 15217 1 1141 . 1 1 98 98 LEU HD11 H 1 0.89 0.02 . 1 . . . . 98 LEU HD1 . 15217 1 1142 . 1 1 98 98 LEU HD12 H 1 0.89 0.02 . 1 . . . . 98 LEU HD1 . 15217 1 1143 . 1 1 98 98 LEU HD13 H 1 0.89 0.02 . 1 . . . . 98 LEU HD1 . 15217 1 1144 . 1 1 98 98 LEU HD21 H 1 0.83 0.02 . 1 . . . . 98 LEU HD2 . 15217 1 1145 . 1 1 98 98 LEU HD22 H 1 0.83 0.02 . 1 . . . . 98 LEU HD2 . 15217 1 1146 . 1 1 98 98 LEU HD23 H 1 0.83 0.02 . 1 . . . . 98 LEU HD2 . 15217 1 1147 . 1 1 98 98 LEU CA C 13 55.65 0.2 . 1 . . . . 98 LEU CA . 15217 1 1148 . 1 1 98 98 LEU CB C 13 42.19 0.2 . 1 . . . . 98 LEU CB . 15217 1 1149 . 1 1 98 98 LEU CG C 13 26.9 0.2 . 1 . . . . 98 LEU CG . 15217 1 1150 . 1 1 98 98 LEU CD1 C 13 24.98 0.2 . 1 . . . . 98 LEU CD1 . 15217 1 1151 . 1 1 98 98 LEU CD2 C 13 23.3 0.2 . 1 . . . . 98 LEU CD2 . 15217 1 1152 . 1 1 98 98 LEU N N 15 123.5 0.2 . 1 . . . . 98 LEU N . 15217 1 1153 . 1 1 99 99 GLU H H 1 8.19 0.02 . 1 . . . . 99 GLU H . 15217 1 1154 . 1 1 99 99 GLU HA H 1 4.13 0.02 . 1 . . . . 99 GLU HA . 15217 1 1155 . 1 1 99 99 GLU HB2 H 1 1.87 0.02 . 1 . . . . 99 GLU HB2 . 15217 1 1156 . 1 1 99 99 GLU HB3 H 1 1.87 0.02 . 1 . . . . 99 GLU HB3 . 15217 1 1157 . 1 1 99 99 GLU HG2 H 1 2.11 0.02 . 2 . . . . 99 GLU HG2 . 15217 1 1158 . 1 1 99 99 GLU HG3 H 1 2.18 0.02 . 2 . . . . 99 GLU HG3 . 15217 1 1159 . 1 1 99 99 GLU CA C 13 56.85 0.2 . 1 . . . . 99 GLU CA . 15217 1 1160 . 1 1 99 99 GLU CB C 13 29.9 0.2 . 1 . . . . 99 GLU CB . 15217 1 1161 . 1 1 99 99 GLU CG C 13 36.12 0.2 . 1 . . . . 99 GLU CG . 15217 1 1162 . 1 1 99 99 GLU N N 15 119.9 0.2 . 1 . . . . 99 GLU N . 15217 1 1163 . 1 1 100 100 HIS H H 1 8.20 0.02 . 1 . . . . 100 HIS H . 15217 1 1164 . 1 1 100 100 HIS HA H 1 4.56 0.02 . 1 . . . . 100 HIS HA . 15217 1 1165 . 1 1 100 100 HIS HB2 H 1 3.05 0.02 . 2 . . . . 100 HIS HB2 . 15217 1 1166 . 1 1 100 100 HIS HB3 H 1 2.99 0.02 . 2 . . . . 100 HIS HB3 . 15217 1 1167 . 1 1 100 100 HIS HD2 H 1 6.96 0.02 . 1 . . . . 100 HIS HD2 . 15217 1 1168 . 1 1 100 100 HIS CA C 13 55.835 0.2 . 1 . . . . 100 HIS CA . 15217 1 1169 . 1 1 100 100 HIS CB C 13 30.37 0.2 . 1 . . . . 100 HIS CB . 15217 1 1170 . 1 1 100 100 HIS N N 15 118.8 0.2 . 1 . . . . 100 HIS N . 15217 1 stop_ save_