data_15846 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15846 _Entry.Title ; NMR solution Structure of Membrane associated protein from Bacillus cereus: Northeast Structural Genomics Consortium Target: BcR97A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-30 _Entry.Accession_date 2008-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'CASP Target.' _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. V. T.' Swapna . . . 15846 2 Dongyan Wang . . . 15846 3 Leah Owens . . . 15846 4 Rong Xiao . . . 15846 5 Jinfeng Liu . . . 15846 6 Michael Baran . C. . 15846 7 John Everett . . . 15846 8 Thomas Acton . B. . 15846 9 Burkhard Rost . . . 15846 10 Gaetano Montelione . T. . 15846 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' . 15846 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15846 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 15846 '15N chemical shifts' 108 15846 '1H chemical shifts' 726 15846 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 . . 2009-06-09 2008-06-30 update BMRB 'added time domain data' 15846 1 . . 2008-08-25 2008-06-30 original author 'original release' 15846 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15846 _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 Membrane associated protein from Bacillus cereus: Northeast Structural Genomics Consortium Target: BcR97A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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. V. T.' Swapna . . . 15846 1 2 Dongyan Wang . C. . 15846 1 3 Leah Owens . . . 15846 1 4 Rong Xiao . . . 15846 1 5 Jinfeng Liu . . . 15846 1 6 Michael Baran . C. . 15846 1 7 John Everett . . . 15846 1 8 Thomas Acton . B. . 15846 1 9 Burkhard Rost . . . 15846 1 10 Gaetano Montelione . T. . 15846 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacillus cereus' 15846 1 BcR97A 15846 1 'Membrane associated protein' 15846 1 NESG 15846 1 'NMR solution structure' 15846 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15846 _Assembly.ID 1 _Assembly.Name 'Q812L6 PROTEIN' _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 entity 1 $BcR97A A . yes native no no . . . 15846 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BcR97A _Entity.Sf_category entity _Entity.Sf_framecode BcR97A _Entity.Entry_ID 15846 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BcR97A _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 ; MDLNRMGKDEYYVQITVDGK EVHSKADNGQKYKDYEYKLT GFDKDGKEKELEFTAQKNLR KEAFLRVYHSDKKGVSAWEE VKKDELPAKVKEKLGVKLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The sequence used to solve the structure is a construct (21-117aa) of the full length BcR97. The construct has been designed eliminating the first 20 residues based on the disorder-prediction algorithms. The residues 21-117 have been numbered as 1-97 in the current entry. The 8 residues at the C-terminal, LEHHHHHH correspond to the purification tag.' _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12458.204 _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 2K5Q . "Nmr Solution Structure Of Membrane Associated Protein From Bacillus Cereus: Northeast Structural Genomics Consortium Target: Bc" . . . . . 100.00 105 100.00 100.00 2.18e-67 . . . . 15846 1 2 no DBJ BAR81466 . "putative lipoprotein [Bacillus thuringiensis serovar tolworthi]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 3 no EMBL CEX43735 . "Uncharacterized protein conserved in bacteria [Streptococcus pneumoniae]" . . . . . 56.19 59 98.31 100.00 4.28e-31 . . . . 15846 1 4 no EMBL CEY25430 . "Uncharacterized protein conserved in bacteria [Streptococcus pneumoniae]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 5 no EMBL CGF85445 . "Uncharacterized protein conserved in bacteria [Streptococcus pneumoniae]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 6 no EMBL CJA11551 . "Uncharacterized protein conserved in bacteria [Streptococcus pneumoniae]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 7 no EMBL CJA65307 . "Uncharacterized protein conserved in bacteria [Streptococcus pneumoniae]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 8 no GB AAP11805 . "hypothetical Membrane Associated Protein [Bacillus cereus ATCC 14579]" . . . . . 92.38 117 98.97 98.97 4.64e-60 . . . . 15846 1 9 no GB ADH09356 . "hypothetical protein BMB171_C4548 [Bacillus thuringiensis BMB171]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 10 no GB AEA18648 . "hypothetical protein CT43_CH4991 [Bacillus thuringiensis serovar chinensis CT-43]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 11 no GB AFV20811 . "hypothetical protein BTB_c51580 [Bacillus thuringiensis Bt407]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 12 no GB AGG03783 . "hypothetical protein H175_ch5073 [Bacillus thuringiensis serovar thuringiensis str. IS5056]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 13 no REF NP_834604 . "hypothetical protein BC4932 [Bacillus cereus ATCC 14579]" . . . . . 92.38 117 98.97 98.97 4.64e-60 . . . . 15846 1 14 no REF WP_000833148 . "MULTISPECIES: membrane protein [Bacillus cereus group]" . . . . . 92.38 117 97.94 98.97 9.52e-60 . . . . 15846 1 15 no REF WP_000833150 . "membrane protein [Bacillus cereus]" . . . . . 92.38 117 96.91 97.94 6.40e-59 . . . . 15846 1 16 no REF WP_000833151 . "membrane protein [Bacillus cereus]" . . . . . 92.38 117 97.94 98.97 1.62e-59 . . . . 15846 1 17 no REF WP_000833152 . "MULTISPECIES: membrane protein [Bacillus cereus group]" . . . . . 92.38 117 98.97 98.97 4.64e-60 . . . . 15846 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'unknown function' 15846 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 . 15846 1 2 . ASP . 15846 1 3 . LEU . 15846 1 4 . ASN . 15846 1 5 . ARG . 15846 1 6 . MET . 15846 1 7 . GLY . 15846 1 8 . LYS . 15846 1 9 . ASP . 15846 1 10 . GLU . 15846 1 11 . TYR . 15846 1 12 . TYR . 15846 1 13 . VAL . 15846 1 14 . GLN . 15846 1 15 . ILE . 15846 1 16 . THR . 15846 1 17 . VAL . 15846 1 18 . ASP . 15846 1 19 . GLY . 15846 1 20 . LYS . 15846 1 21 . GLU . 15846 1 22 . VAL . 15846 1 23 . HIS . 15846 1 24 . SER . 15846 1 25 . LYS . 15846 1 26 . ALA . 15846 1 27 . ASP . 15846 1 28 . ASN . 15846 1 29 . GLY . 15846 1 30 . GLN . 15846 1 31 . LYS . 15846 1 32 . TYR . 15846 1 33 . LYS . 15846 1 34 . ASP . 15846 1 35 . TYR . 15846 1 36 . GLU . 15846 1 37 . TYR . 15846 1 38 . LYS . 15846 1 39 . LEU . 15846 1 40 . THR . 15846 1 41 . GLY . 15846 1 42 . PHE . 15846 1 43 . ASP . 15846 1 44 . LYS . 15846 1 45 . ASP . 15846 1 46 . GLY . 15846 1 47 . LYS . 15846 1 48 . GLU . 15846 1 49 . LYS . 15846 1 50 . GLU . 15846 1 51 . LEU . 15846 1 52 . GLU . 15846 1 53 . PHE . 15846 1 54 . THR . 15846 1 55 . ALA . 15846 1 56 . GLN . 15846 1 57 . LYS . 15846 1 58 . ASN . 15846 1 59 . LEU . 15846 1 60 . ARG . 15846 1 61 . LYS . 15846 1 62 . GLU . 15846 1 63 . ALA . 15846 1 64 . PHE . 15846 1 65 . LEU . 15846 1 66 . ARG . 15846 1 67 . VAL . 15846 1 68 . TYR . 15846 1 69 . HIS . 15846 1 70 . SER . 15846 1 71 . ASP . 15846 1 72 . LYS . 15846 1 73 . LYS . 15846 1 74 . GLY . 15846 1 75 . VAL . 15846 1 76 . SER . 15846 1 77 . ALA . 15846 1 78 . TRP . 15846 1 79 . GLU . 15846 1 80 . GLU . 15846 1 81 . VAL . 15846 1 82 . LYS . 15846 1 83 . LYS . 15846 1 84 . ASP . 15846 1 85 . GLU . 15846 1 86 . LEU . 15846 1 87 . PRO . 15846 1 88 . ALA . 15846 1 89 . LYS . 15846 1 90 . VAL . 15846 1 91 . LYS . 15846 1 92 . GLU . 15846 1 93 . LYS . 15846 1 94 . LEU . 15846 1 95 . GLY . 15846 1 96 . VAL . 15846 1 97 . LYS . 15846 1 98 . LEU . 15846 1 99 . GLU . 15846 1 100 . HIS . 15846 1 101 . HIS . 15846 1 102 . HIS . 15846 1 103 . HIS . 15846 1 104 . HIS . 15846 1 105 . HIS . 15846 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 15846 1 . ASP 2 2 15846 1 . LEU 3 3 15846 1 . ASN 4 4 15846 1 . ARG 5 5 15846 1 . MET 6 6 15846 1 . GLY 7 7 15846 1 . LYS 8 8 15846 1 . ASP 9 9 15846 1 . GLU 10 10 15846 1 . TYR 11 11 15846 1 . TYR 12 12 15846 1 . VAL 13 13 15846 1 . GLN 14 14 15846 1 . ILE 15 15 15846 1 . THR 16 16 15846 1 . VAL 17 17 15846 1 . ASP 18 18 15846 1 . GLY 19 19 15846 1 . LYS 20 20 15846 1 . GLU 21 21 15846 1 . VAL 22 22 15846 1 . HIS 23 23 15846 1 . SER 24 24 15846 1 . LYS 25 25 15846 1 . ALA 26 26 15846 1 . ASP 27 27 15846 1 . ASN 28 28 15846 1 . GLY 29 29 15846 1 . GLN 30 30 15846 1 . LYS 31 31 15846 1 . TYR 32 32 15846 1 . LYS 33 33 15846 1 . ASP 34 34 15846 1 . TYR 35 35 15846 1 . GLU 36 36 15846 1 . TYR 37 37 15846 1 . LYS 38 38 15846 1 . LEU 39 39 15846 1 . THR 40 40 15846 1 . GLY 41 41 15846 1 . PHE 42 42 15846 1 . ASP 43 43 15846 1 . LYS 44 44 15846 1 . ASP 45 45 15846 1 . GLY 46 46 15846 1 . LYS 47 47 15846 1 . GLU 48 48 15846 1 . LYS 49 49 15846 1 . GLU 50 50 15846 1 . LEU 51 51 15846 1 . GLU 52 52 15846 1 . PHE 53 53 15846 1 . THR 54 54 15846 1 . ALA 55 55 15846 1 . GLN 56 56 15846 1 . LYS 57 57 15846 1 . ASN 58 58 15846 1 . LEU 59 59 15846 1 . ARG 60 60 15846 1 . LYS 61 61 15846 1 . GLU 62 62 15846 1 . ALA 63 63 15846 1 . PHE 64 64 15846 1 . LEU 65 65 15846 1 . ARG 66 66 15846 1 . VAL 67 67 15846 1 . TYR 68 68 15846 1 . HIS 69 69 15846 1 . SER 70 70 15846 1 . ASP 71 71 15846 1 . LYS 72 72 15846 1 . LYS 73 73 15846 1 . GLY 74 74 15846 1 . VAL 75 75 15846 1 . SER 76 76 15846 1 . ALA 77 77 15846 1 . TRP 78 78 15846 1 . GLU 79 79 15846 1 . GLU 80 80 15846 1 . VAL 81 81 15846 1 . LYS 82 82 15846 1 . LYS 83 83 15846 1 . ASP 84 84 15846 1 . GLU 85 85 15846 1 . LEU 86 86 15846 1 . PRO 87 87 15846 1 . ALA 88 88 15846 1 . LYS 89 89 15846 1 . VAL 90 90 15846 1 . LYS 91 91 15846 1 . GLU 92 92 15846 1 . LYS 93 93 15846 1 . LEU 94 94 15846 1 . GLY 95 95 15846 1 . VAL 96 96 15846 1 . LYS 97 97 15846 1 . LEU 98 98 15846 1 . GLU 99 99 15846 1 . HIS 100 100 15846 1 . HIS 101 101 15846 1 . HIS 102 102 15846 1 . HIS 103 103 15846 1 . HIS 104 104 15846 1 . HIS 105 105 15846 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 15846 _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 $BcR97A . 1396 organism . 'Bacillus cereus' 'Bacillus cereus' . . Bacteria . Bacillus cereus . . . . . . . . . . . . . . . . BC_4932 . . . . 15846 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 15846 _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 $BcR97A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+MAGIC . . . . . . . . . . . . Vector . . 'pET 21-23C' . . . . . . 15846 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15846 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.25mM BcR97A, 10mM DTT, 50uM DSS, 10% D2O, 0.02% NaN3, 5mM CaCl2, 100mM NaCl, 20mM MES, protease inhibitors added.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BcR97A protein' '[U-100% 13C; U-100% 15N]' . . 1 $BcR97A . . 1.25 . . mM 0.2 . . . 15846 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15846 1 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15846 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15846 1 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15846 1 6 NaCl 'natural abundance' . . . . . . 100 . . uM . . . . 15846 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15846 1 8 D2O [U-2H] . . . . . . 10 . . % . . . . 15846 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15846 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15846 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.77mM BcR97A, 10mM DTT, 50uM DSS, 10% D2O, 0.02% NaN3, 5mM CaCl2, 100mM NaCl, 20mM MES, protease inhibitors added.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BcR97A protein' '[U-10% 13C; U-100% 15N]' . . 1 $BcR97A . . 0.77 . . mM 0.2 . . . 15846 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15846 2 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15846 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15846 2 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15846 2 6 NaCl 'natural abundance' . . . . . . 100 . . uM . . . . 15846 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15846 2 8 D2O [U-2H] . . . . . . 10 . . % . . . . 15846 2 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15846 2 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 15846 _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 15846 1 pH 6.5 . pH 15846 1 pressure 1 . atm 15846 1 temperature 293 . K 15846 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15846 _Software.ID 1 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details 'Automated Backbone assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15846 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15846 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15846 _Software.ID 2 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details 'Automated NOESY assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15846 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15846 2 'structure solution' 15846 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15846 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15846 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15846 3 'structure solution' 15846 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15846 _Software.ID 4 _Software.Name CNS _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' . . 15846 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15846 4 refinement 15846 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 15846 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a chilli probe' _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 15846 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15846 _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 'Equipped with a chilli probe' . . 15846 1 2 spectrometer_2 Bruker Avance . 600 'TXI probe' . . 15846 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 15846 _Experiment_list.ID 1 _Experiment_list.Details 'GFT (4,3)D data was acquired for backbone assignments.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 2 '2D 1H-13C HSQC' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 3 '3D HNCO' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 4 '3D CBCA(CO)NH' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 5 '3D HNCACB' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 6 '3D HBHA(CO)NH' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 7 '3D C(CO)NH' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 8 '3D HCCH-TOCSY' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 9 '3D HCCH-COSY' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 10 '3D 13C-edited_NOESY (arom)' yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 11 '3D 1H-15N NOESY' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15846 1 12 '3D 13C-edited_NOESY (alpih)' yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15846 1 13 '2D 1H-15N HSQC' yes 13 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 14 '2D 1H-13C HSQC' yes 14 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 1 15 '2D 1H-15N HSQC (NH2 only)' yes 15 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 1 _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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gNhsqc.fid/' . . . . . . . 15846 1 gNhsqc_2002_gvts.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gNhsqc.fid/' . . . . . . . 15846 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gNhsqc.fid/' . . . . . . . 15846 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gNhsqc.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 2 _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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gChsqc.fid/' . . . . . . . 15846 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gChsqc.fid/' . . . . . . . 15846 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_2D_gChsqc.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 3 _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 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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_ghn_co.fid/' . . . . . . . 15846 3 ghn_co_gvts.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_ghn_co.fid/' . . . . . . . 15846 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_ghn_co.fid/' . . . . . . . 15846 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_ghn_co.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 4 _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 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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_CBCACAcoNH_gft/raw/' . . . . . . . 15846 4 GFT_43D_CBCACAcoNHN.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_CBCACAcoNH_gft/raw/' . . . . . . . 15846 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_CBCACAcoNH_gft/raw/' . . . . . . . 15846 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_CBCACAcoNH_gft/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 5 _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 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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HNCACBCA_gft/raw/' . . . . . . . 15846 5 hncacb_gft_jan27_06_scal.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HNCACBCA_gft/raw/' . . . . . . . 15846 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HNCACBCA_gft/raw/' . . . . . . . 15846 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HNCACBCA_gft/' . . . . . . . 15846 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 15846 _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 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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HabCabcoNH_GFT/raw/' . . . . . . . 15846 6 GFT_43D_HabCabcoNHN.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HabCabcoNH_GFT/raw/' . . . . . . . 15846 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HabCabcoNH_GFT/raw/' . . . . . . . 15846 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_HabCabcoNH_GFT/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D C(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 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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_gc_co_nh.fid/' . . . . . . . 15846 7 gc_co_nh_GTM.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_gc_co_nh.fid/' . . . . . . . 15846 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_gc_co_nh.fid/' . . . . . . . 15846 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_gc_co_nh.fid/' . . . . . . . 15846 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 15846 _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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_cch_tocsyA.fid/' . . . . . . . 15846 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_cch_tocsyA.fid/' . . . . . . . 15846 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_cch_tocsyA.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-COSY' _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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_hcch_cosy_gft_arom_cen1.fid/' . . . . . . . 15846 9 hcch_cosy_gft_arom_cen1.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_hcch_cosy_gft_arom_cen1.fid/' . . . . . . . 15846 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_hcch_cosy_gft_arom_cen1.fid/' . . . . . . . 15846 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_hcch_cosy_gft_arom_cen1.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C-edited_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/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_arom_gnoesyChsqc.fid/' . . . . . . . 15846 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_arom_gnoesyChsqc.fid/' . . . . . . . 15846 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_arom_gnoesyChsqc.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 11 _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 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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_N15-NOESY.fid/' . . . . . . . 15846 11 proc 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_N15-NOESY.fid/pdata/1/' . . . . . . . 15846 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_N15-NOESY.fid/' . . . . . . . 15846 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_N15-NOESY.fid/' . . . . . . . 15846 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_N15-NOESY.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C-edited_NOESY (alpih)' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_aliph_C13-NOESY.fid/' . . . . . . . 15846 12 proc 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_aliph_C13-NOESY.fid/pdata/1/' . . . . . . . 15846 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_aliph_C13-NOESY.fid/' . . . . . . . 15846 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_aliph_C13-NOESY.fid/' . . . . . . . 15846 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.009/BcR97A.009_3D_aliph_C13-NOESY.fid/' . . . . . . . 15846 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 15846 _NMR_spec_expt.ID 13 _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/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NHhsqc.fid/' . . . . . . . 15846 13 gNhsqc_2002_gvts.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NHhsqc.fid/' . . . . . . . 15846 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NHhsqc.fid/' . . . . . . . 15846 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NHhsqc.fid/' . . . . . . . 15846 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 15846 _NMR_spec_expt.ID 14 _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/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_CHhsqc.fid/' . . . . . . . 15846 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_CHhsqc.fid/' . . . . . . . 15846 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_CHhsqc.fid/' . . . . . . . 15846 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 15846 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 1H-15N HSQC (NH2 only)' _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/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NH2_hsqc.fid/' . . . . . . . 15846 15 gNhsqc_2002_gvts.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NH2_hsqc.fid/' . . . . . . . 15846 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NH2_hsqc.fid/' . . . . . . . 15846 15 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15846/timedomain_data/BcR97A.011/BcR97A.011_2D_NH2_hsqc.fid/' . . . . . . . 15846 15 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 15846 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal DSS was used to reference the proton spectrum' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15846 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000 . . . 1 $entry_citation . . 1 $entry_citation 15846 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15846 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 15846 _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 '2D 1H-15N HSQC' . . . 15846 1 2 '2D 1H-13C HSQC' . . . 15846 1 3 '3D HNCO' . . . 15846 1 4 '3D CBCA(CO)NH' . . . 15846 1 5 '3D HNCACB' . . . 15846 1 6 '3D HBHA(CO)NH' . . . 15846 1 7 '3D C(CO)NH' . . . 15846 1 8 '3D HCCH-TOCSY' . . . 15846 1 9 '3D HCCH-COSY' . . . 15846 1 13 '2D 1H-15N HSQC' . . . 15846 1 14 '2D 1H-13C HSQC' . . . 15846 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AutoAssign . . 15846 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.67 . . 1 . . . . 2 ASP HA . 15846 1 2 . 1 1 2 2 ASP HB2 H 1 2.53 . . 2 . . . . 2 ASP HB2 . 15846 1 3 . 1 1 2 2 ASP HB3 H 1 2.73 . . 2 . . . . 2 ASP HB3 . 15846 1 4 . 1 1 2 2 ASP C C 13 176.48 . . 1 . . . . 2 ASP C . 15846 1 5 . 1 1 2 2 ASP CA C 13 53.4 . . 1 . . . . 2 ASP CA . 15846 1 6 . 1 1 2 2 ASP CB C 13 41.17 . . 1 . . . . 2 ASP CB . 15846 1 7 . 1 1 3 3 LEU H H 1 8.65 . . 1 . . . . 3 LEU H . 15846 1 8 . 1 1 3 3 LEU HA H 1 4.116 . . 1 . . . . 3 LEU HA . 15846 1 9 . 1 1 3 3 LEU HB2 H 1 1.55 . . 2 . . . . 3 LEU HB2 . 15846 1 10 . 1 1 3 3 LEU HB3 H 1 1.64 . . 2 . . . . 3 LEU HB3 . 15846 1 11 . 1 1 3 3 LEU HD11 H 1 0.88 . . 1 . . . . 3 LEU HD1 . 15846 1 12 . 1 1 3 3 LEU HD12 H 1 0.88 . . 1 . . . . 3 LEU HD1 . 15846 1 13 . 1 1 3 3 LEU HD13 H 1 0.88 . . 1 . . . . 3 LEU HD1 . 15846 1 14 . 1 1 3 3 LEU HD21 H 1 0.82 . . 1 . . . . 3 LEU HD2 . 15846 1 15 . 1 1 3 3 LEU HD22 H 1 0.82 . . 1 . . . . 3 LEU HD2 . 15846 1 16 . 1 1 3 3 LEU HD23 H 1 0.82 . . 1 . . . . 3 LEU HD2 . 15846 1 17 . 1 1 3 3 LEU HG H 1 1.64 . . 1 . . . . 3 LEU HG . 15846 1 18 . 1 1 3 3 LEU C C 13 177.88 . . 1 . . . . 3 LEU C . 15846 1 19 . 1 1 3 3 LEU CA C 13 56.39 . . 1 . . . . 3 LEU CA . 15846 1 20 . 1 1 3 3 LEU CB C 13 41.66 . . 1 . . . . 3 LEU CB . 15846 1 21 . 1 1 3 3 LEU CD1 C 13 24.98 . . 1 . . . . 3 LEU CD1 . 15846 1 22 . 1 1 3 3 LEU CD2 C 13 23.23 . . 1 . . . . 3 LEU CD2 . 15846 1 23 . 1 1 3 3 LEU CG C 13 27.08 . . 1 . . . . 3 LEU CG . 15846 1 24 . 1 1 3 3 LEU N N 15 125.30 . . 1 . . . . 3 LEU N . 15846 1 25 . 1 1 4 4 ASN H H 1 8.37 . . 1 . . . . 4 ASN H . 15846 1 26 . 1 1 4 4 ASN HA H 1 4.49 . . 1 . . . . 4 ASN HA . 15846 1 27 . 1 1 4 4 ASN HB2 H 1 2.79 . . 2 . . . . 4 ASN HB2 . 15846 1 28 . 1 1 4 4 ASN HB3 H 1 2.70 . . 2 . . . . 4 ASN HB3 . 15846 1 29 . 1 1 4 4 ASN HD21 H 1 6.95 . . 2 . . . . 4 ASN HD21 . 15846 1 30 . 1 1 4 4 ASN HD22 H 1 7.776 . . 2 . . . . 4 ASN HD22 . 15846 1 31 . 1 1 4 4 ASN C C 13 175.05 . . 1 . . . . 4 ASN C . 15846 1 32 . 1 1 4 4 ASN CA C 13 54.32 . . 1 . . . . 4 ASN CA . 15846 1 33 . 1 1 4 4 ASN CB C 13 38.24 . . 1 . . . . 4 ASN CB . 15846 1 34 . 1 1 4 4 ASN N N 15 116.55 . . 1 . . . . 4 ASN N . 15846 1 35 . 1 1 4 4 ASN ND2 N 15 113.4 . . 1 . . . . 4 ASN ND2 . 15846 1 36 . 1 1 5 5 ARG H H 1 7.645 . . 1 . . . . 5 ARG H . 15846 1 37 . 1 1 5 5 ARG HA H 1 3.92 . . 1 . . . . 5 ARG HA . 15846 1 38 . 1 1 5 5 ARG HB2 H 1 1.58 . . 2 . . . . 5 ARG HB2 . 15846 1 39 . 1 1 5 5 ARG HB3 H 1 1.32 . . 2 . . . . 5 ARG HB3 . 15846 1 40 . 1 1 5 5 ARG HD2 H 1 2.79 . . 2 . . . . 5 ARG HD2 . 15846 1 41 . 1 1 5 5 ARG HD3 H 1 2.93 . . 2 . . . . 5 ARG HD3 . 15846 1 42 . 1 1 5 5 ARG HE H 1 7.243 . . 1 . . . . 5 ARG HE . 15846 1 43 . 1 1 5 5 ARG HG2 H 1 1.16 . . 2 . . . . 5 ARG HG2 . 15846 1 44 . 1 1 5 5 ARG HG3 H 1 0.27 . . 2 . . . . 5 ARG HG3 . 15846 1 45 . 1 1 5 5 ARG C C 13 176.03 . . 1 . . . . 5 ARG C . 15846 1 46 . 1 1 5 5 ARG CA C 13 56.18 . . 1 . . . . 5 ARG CA . 15846 1 47 . 1 1 5 5 ARG CB C 13 31.57 . . 1 . . . . 5 ARG CB . 15846 1 48 . 1 1 5 5 ARG CD C 13 43.02 . . 2 . . . . 5 ARG CD . 15846 1 49 . 1 1 5 5 ARG CG C 13 27.04 . . 1 . . . . 5 ARG CG . 15846 1 50 . 1 1 5 5 ARG N N 15 118.59 . . 1 . . . . 5 ARG N . 15846 1 51 . 1 1 5 5 ARG NE N 15 84.87 . . 1 . . . . 5 ARG NE . 15846 1 52 . 1 1 6 6 MET H H 1 7.809 . . 1 . . . . 6 MET H . 15846 1 53 . 1 1 6 6 MET HA H 1 4.355 . . 1 . . . . 6 MET HA . 15846 1 54 . 1 1 6 6 MET HB2 H 1 1.95 . . 2 . . . . 6 MET HB2 . 15846 1 55 . 1 1 6 6 MET HB3 H 1 2.03 . . 2 . . . . 6 MET HB3 . 15846 1 56 . 1 1 6 6 MET HG2 H 1 2.48 . . 2 . . . . 6 MET HG2 . 15846 1 57 . 1 1 6 6 MET HG3 H 1 2.56 . . 2 . . . . 6 MET HG3 . 15846 1 58 . 1 1 6 6 MET C C 13 176.94 . . 1 . . . . 6 MET C . 15846 1 59 . 1 1 6 6 MET CA C 13 56.29 . . 1 . . . . 6 MET CA . 15846 1 60 . 1 1 6 6 MET CB C 13 33.02 . . 1 . . . . 6 MET CB . 15846 1 61 . 1 1 6 6 MET CG C 13 31.83 . . 1 . . . . 6 MET CG . 15846 1 62 . 1 1 6 6 MET N N 15 120.18 . . 1 . . . . 6 MET N . 15846 1 63 . 1 1 7 7 GLY H H 1 8.906 . . 1 . . . . 7 GLY H . 15846 1 64 . 1 1 7 7 GLY HA2 H 1 3.87 . . 2 . . . . 7 GLY HA2 . 15846 1 65 . 1 1 7 7 GLY HA3 H 1 3.95 . . 2 . . . . 7 GLY HA3 . 15846 1 66 . 1 1 7 7 GLY C C 13 174.28 . . 1 . . . . 7 GLY C . 15846 1 67 . 1 1 7 7 GLY CA C 13 46.11 . . 1 . . . . 7 GLY CA . 15846 1 68 . 1 1 7 7 GLY N N 15 112.66 . . 1 . . . . 7 GLY N . 15846 1 69 . 1 1 8 8 LYS H H 1 7.819 . . 1 . . . . 8 LYS H . 15846 1 70 . 1 1 8 8 LYS HA H 1 4.55 . . 1 . . . . 8 LYS HA . 15846 1 71 . 1 1 8 8 LYS HB2 H 1 1.92 . . 2 . . . . 8 LYS HB2 . 15846 1 72 . 1 1 8 8 LYS HB3 H 1 1.98 . . 2 . . . . 8 LYS HB3 . 15846 1 73 . 1 1 8 8 LYS HD2 H 1 1.47 . . 2 . . . . 8 LYS HD2 . 15846 1 74 . 1 1 8 8 LYS HD3 H 1 1.47 . . 2 . . . . 8 LYS HD3 . 15846 1 75 . 1 1 8 8 LYS HE2 H 1 2.88 . . 2 . . . . 8 LYS HE2 . 15846 1 76 . 1 1 8 8 LYS HE3 H 1 2.88 . . 2 . . . . 8 LYS HE3 . 15846 1 77 . 1 1 8 8 LYS HG2 H 1 1.374 . . 2 . . . . 8 LYS HG2 . 15846 1 78 . 1 1 8 8 LYS HG3 H 1 1.374 . . 2 . . . . 8 LYS HG3 . 15846 1 79 . 1 1 8 8 LYS C C 13 176.06 . . 1 . . . . 8 LYS C . 15846 1 80 . 1 1 8 8 LYS CA C 13 54.444 . . 1 . . . . 8 LYS CA . 15846 1 81 . 1 1 8 8 LYS CB C 13 33.76 . . 1 . . . . 8 LYS CB . 15846 1 82 . 1 1 8 8 LYS CD C 13 28.45 . . 1 . . . . 8 LYS CD . 15846 1 83 . 1 1 8 8 LYS CE C 13 42.2 . . 1 . . . . 8 LYS CE . 15846 1 84 . 1 1 8 8 LYS CG C 13 24.47 . . 1 . . . . 8 LYS CG . 15846 1 85 . 1 1 8 8 LYS N N 15 119.13 . . 1 . . . . 8 LYS N . 15846 1 86 . 1 1 9 9 ASP H H 1 8.79 . . 1 . . . . 9 ASP H . 15846 1 87 . 1 1 9 9 ASP HA H 1 4.73 . . 1 . . . . 9 ASP HA . 15846 1 88 . 1 1 9 9 ASP HB2 H 1 2.62 . . 2 . . . . 9 ASP HB2 . 15846 1 89 . 1 1 9 9 ASP HB3 H 1 2.89 . . 2 . . . . 9 ASP HB3 . 15846 1 90 . 1 1 9 9 ASP C C 13 174.53 . . 1 . . . . 9 ASP C . 15846 1 91 . 1 1 9 9 ASP CA C 13 54.56 . . 1 . . . . 9 ASP CA . 15846 1 92 . 1 1 9 9 ASP CB C 13 42.53 . . 1 . . . . 9 ASP CB . 15846 1 93 . 1 1 9 9 ASP N N 15 121.55 . . 1 . . . . 9 ASP N . 15846 1 94 . 1 1 10 10 GLU H H 1 7.95 . . 1 . . . . 10 GLU H . 15846 1 95 . 1 1 10 10 GLU HA H 1 4.57 . . 1 . . . . 10 GLU HA . 15846 1 96 . 1 1 10 10 GLU HB2 H 1 1.16 . . 2 . . . . 10 GLU HB2 . 15846 1 97 . 1 1 10 10 GLU HB3 H 1 1.64 . . 2 . . . . 10 GLU HB3 . 15846 1 98 . 1 1 10 10 GLU HG2 H 1 2.04 . . 2 . . . . 10 GLU HG2 . 15846 1 99 . 1 1 10 10 GLU HG3 H 1 1.61 . . 2 . . . . 10 GLU HG3 . 15846 1 100 . 1 1 10 10 GLU C C 13 174.08 . . 1 . . . . 10 GLU C . 15846 1 101 . 1 1 10 10 GLU CA C 13 54.64 . . 1 . . . . 10 GLU CA . 15846 1 102 . 1 1 10 10 GLU CB C 13 31.380 . . 1 . . . . 10 GLU CB . 15846 1 103 . 1 1 10 10 GLU CG C 13 35.9 . . 1 . . . . 10 GLU CG . 15846 1 104 . 1 1 10 10 GLU N N 15 119.64 . . 1 . . . . 10 GLU N . 15846 1 105 . 1 1 11 11 TYR H H 1 8.767 . . 1 . . . . 11 TYR H . 15846 1 106 . 1 1 11 11 TYR HA H 1 4.555 . . 1 . . . . 11 TYR HA . 15846 1 107 . 1 1 11 11 TYR HB2 H 1 2.22 . . 2 . . . . 11 TYR HB2 . 15846 1 108 . 1 1 11 11 TYR HB3 H 1 2.46 . . 2 . . . . 11 TYR HB3 . 15846 1 109 . 1 1 11 11 TYR HD1 H 1 6.61 . . 2 . . . . 11 TYR HD1 . 15846 1 110 . 1 1 11 11 TYR HD2 H 1 6.61 . . 2 . . . . 11 TYR HD2 . 15846 1 111 . 1 1 11 11 TYR HE1 H 1 6.60 . . 2 . . . . 11 TYR HE1 . 15846 1 112 . 1 1 11 11 TYR HE2 H 1 6.60 . . 2 . . . . 11 TYR HE2 . 15846 1 113 . 1 1 11 11 TYR C C 13 173.48 . . 1 . . . . 11 TYR C . 15846 1 114 . 1 1 11 11 TYR CA C 13 56.36 . . 1 . . . . 11 TYR CA . 15846 1 115 . 1 1 11 11 TYR CB C 13 43.86 . . 1 . . . . 11 TYR CB . 15846 1 116 . 1 1 11 11 TYR CD1 C 13 132.0 . . 2 . . . . 11 TYR CD1 . 15846 1 117 . 1 1 11 11 TYR CD2 C 13 132.0 . . 2 . . . . 11 TYR CD2 . 15846 1 118 . 1 1 11 11 TYR CE1 C 13 117.2 . . 2 . . . . 11 TYR CE1 . 15846 1 119 . 1 1 11 11 TYR CE2 C 13 117.2 . . 2 . . . . 11 TYR CE2 . 15846 1 120 . 1 1 11 11 TYR N N 15 120.96 . . 1 . . . . 11 TYR N . 15846 1 121 . 1 1 12 12 TYR H H 1 9.29 . . 1 . . . . 12 TYR H . 15846 1 122 . 1 1 12 12 TYR HA H 1 5.73 . . 1 . . . . 12 TYR HA . 15846 1 123 . 1 1 12 12 TYR HB2 H 1 2.68 . . 2 . . . . 12 TYR HB2 . 15846 1 124 . 1 1 12 12 TYR HB3 H 1 2.98 . . 2 . . . . 12 TYR HB3 . 15846 1 125 . 1 1 12 12 TYR HD1 H 1 7.16 . . 2 . . . . 12 TYR HD1 . 15846 1 126 . 1 1 12 12 TYR HD2 H 1 7.16 . . 2 . . . . 12 TYR HD2 . 15846 1 127 . 1 1 12 12 TYR HE1 H 1 6.62 . . 2 . . . . 12 TYR HE1 . 15846 1 128 . 1 1 12 12 TYR HE2 H 1 6.62 . . 2 . . . . 12 TYR HE2 . 15846 1 129 . 1 1 12 12 TYR C C 13 175.70 . . 1 . . . . 12 TYR C . 15846 1 130 . 1 1 12 12 TYR CA C 13 56.68 . . 1 . . . . 12 TYR CA . 15846 1 131 . 1 1 12 12 TYR CB C 13 42.18 . . 1 . . . . 12 TYR CB . 15846 1 132 . 1 1 12 12 TYR CD1 C 13 133.7 . . 2 . . . . 12 TYR CD1 . 15846 1 133 . 1 1 12 12 TYR CD2 C 13 133.7 . . 2 . . . . 12 TYR CD2 . 15846 1 134 . 1 1 12 12 TYR CE1 C 13 116.1 . . 2 . . . . 12 TYR CE1 . 15846 1 135 . 1 1 12 12 TYR CE2 C 13 116.1 . . 2 . . . . 12 TYR CE2 . 15846 1 136 . 1 1 12 12 TYR N N 15 118.88 . . 1 . . . . 12 TYR N . 15846 1 137 . 1 1 13 13 VAL H H 1 8.67 . . 1 . . . . 13 VAL H . 15846 1 138 . 1 1 13 13 VAL HA H 1 5.05 . . 1 . . . . 13 VAL HA . 15846 1 139 . 1 1 13 13 VAL HB H 1 2.05 . . 1 . . . . 13 VAL HB . 15846 1 140 . 1 1 13 13 VAL HG11 H 1 0.66 . . 1 . . . . 13 VAL HG1 . 15846 1 141 . 1 1 13 13 VAL HG12 H 1 0.66 . . 1 . . . . 13 VAL HG1 . 15846 1 142 . 1 1 13 13 VAL HG13 H 1 0.66 . . 1 . . . . 13 VAL HG1 . 15846 1 143 . 1 1 13 13 VAL HG21 H 1 0.58 . . 1 . . . . 13 VAL HG2 . 15846 1 144 . 1 1 13 13 VAL HG22 H 1 0.58 . . 1 . . . . 13 VAL HG2 . 15846 1 145 . 1 1 13 13 VAL HG23 H 1 0.58 . . 1 . . . . 13 VAL HG2 . 15846 1 146 . 1 1 13 13 VAL C C 13 174.82 . . 1 . . . . 13 VAL C . 15846 1 147 . 1 1 13 13 VAL CA C 13 58.13 . . 1 . . . . 13 VAL CA . 15846 1 148 . 1 1 13 13 VAL CB C 13 35.89 . . 1 . . . . 13 VAL CB . 15846 1 149 . 1 1 13 13 VAL CG1 C 13 22.37 . . 1 . . . . 13 VAL CG1 . 15846 1 150 . 1 1 13 13 VAL CG2 C 13 20.4 . . 1 . . . . 13 VAL CG2 . 15846 1 151 . 1 1 13 13 VAL N N 15 112.28 . . 1 . . . . 13 VAL N . 15846 1 152 . 1 1 14 14 GLN H H 1 8.760 . . 1 . . . . 14 GLN H . 15846 1 153 . 1 1 14 14 GLN HA H 1 5.09 . . 1 . . . . 14 GLN HA . 15846 1 154 . 1 1 14 14 GLN HB2 H 1 1.64 . . 2 . . . . 14 GLN HB2 . 15846 1 155 . 1 1 14 14 GLN HB3 H 1 2.02 . . 2 . . . . 14 GLN HB3 . 15846 1 156 . 1 1 14 14 GLN HE21 H 1 6.746 . . 2 . . . . 14 GLN HE21 . 15846 1 157 . 1 1 14 14 GLN HE22 H 1 6.746 . . 2 . . . . 14 GLN HE22 . 15846 1 158 . 1 1 14 14 GLN HG2 H 1 1.50 . . 2 . . . . 14 GLN HG2 . 15846 1 159 . 1 1 14 14 GLN HG3 H 1 1.20 . . 2 . . . . 14 GLN HG3 . 15846 1 160 . 1 1 14 14 GLN C C 13 175.00 . . 1 . . . . 14 GLN C . 15846 1 161 . 1 1 14 14 GLN CA C 13 53.52 . . 1 . . . . 14 GLN CA . 15846 1 162 . 1 1 14 14 GLN CB C 13 31.25 . . 1 . . . . 14 GLN CB . 15846 1 163 . 1 1 14 14 GLN CG C 13 33.53 . . 1 . . . . 14 GLN CG . 15846 1 164 . 1 1 14 14 GLN N N 15 120.91 . . 1 . . . . 14 GLN N . 15846 1 165 . 1 1 14 14 GLN NE2 N 15 111.3 . . 1 . . . . 14 GLN NE2 . 15846 1 166 . 1 1 15 15 ILE H H 1 8.843 . . 1 . . . . 15 ILE H . 15846 1 167 . 1 1 15 15 ILE HA H 1 3.90 . . 1 . . . . 15 ILE HA . 15846 1 168 . 1 1 15 15 ILE HB H 1 2.29 . . 1 . . . . 15 ILE HB . 15846 1 169 . 1 1 15 15 ILE HD11 H 1 0.17 . . 1 . . . . 15 ILE HD1 . 15846 1 170 . 1 1 15 15 ILE HD12 H 1 0.17 . . 1 . . . . 15 ILE HD1 . 15846 1 171 . 1 1 15 15 ILE HD13 H 1 0.17 . . 1 . . . . 15 ILE HD1 . 15846 1 172 . 1 1 15 15 ILE HG12 H 1 0.875 . . 2 . . . . 15 ILE HG12 . 15846 1 173 . 1 1 15 15 ILE HG13 H 1 1.28 . . 2 . . . . 15 ILE HG13 . 15846 1 174 . 1 1 15 15 ILE HG21 H 1 0.75 . . 1 . . . . 15 ILE HG2 . 15846 1 175 . 1 1 15 15 ILE HG22 H 1 0.75 . . 1 . . . . 15 ILE HG2 . 15846 1 176 . 1 1 15 15 ILE HG23 H 1 0.75 . . 1 . . . . 15 ILE HG2 . 15846 1 177 . 1 1 15 15 ILE C C 13 177.09 . . 1 . . . . 15 ILE C . 15846 1 178 . 1 1 15 15 ILE CA C 13 59.269 . . 1 . . . . 15 ILE CA . 15846 1 179 . 1 1 15 15 ILE CB C 13 34.05 . . 1 . . . . 15 ILE CB . 15846 1 180 . 1 1 15 15 ILE CD1 C 13 8.80 . . 1 . . . . 15 ILE CD1 . 15846 1 181 . 1 1 15 15 ILE CG1 C 13 25.0 . . 1 . . . . 15 ILE CG1 . 15846 1 182 . 1 1 15 15 ILE CG2 C 13 18.3 . . 1 . . . . 15 ILE CG2 . 15846 1 183 . 1 1 15 15 ILE N N 15 125.52 . . 1 . . . . 15 ILE N . 15846 1 184 . 1 1 16 16 THR H H 1 7.996 . . 1 . . . . 16 THR H . 15846 1 185 . 1 1 16 16 THR HA H 1 4.54 . . 1 . . . . 16 THR HA . 15846 1 186 . 1 1 16 16 THR HB H 1 4.48 . . 1 . . . . 16 THR HB . 15846 1 187 . 1 1 16 16 THR HG21 H 1 1.04 . . 1 . . . . 16 THR HG2 . 15846 1 188 . 1 1 16 16 THR HG22 H 1 1.04 . . 1 . . . . 16 THR HG2 . 15846 1 189 . 1 1 16 16 THR HG23 H 1 1.04 . . 1 . . . . 16 THR HG2 . 15846 1 190 . 1 1 16 16 THR C C 13 173.65 . . 1 . . . . 16 THR C . 15846 1 191 . 1 1 16 16 THR CA C 13 61.18 . . 1 . . . . 16 THR CA . 15846 1 192 . 1 1 16 16 THR CB C 13 69.3 . . 1 . . . . 16 THR CB . 15846 1 193 . 1 1 16 16 THR CG2 C 13 21.67 . . 1 . . . . 16 THR CG2 . 15846 1 194 . 1 1 16 16 THR N N 15 118.08 . . 1 . . . . 16 THR N . 15846 1 195 . 1 1 17 17 VAL H H 1 7.24 . . 1 . . . . 17 VAL H . 15846 1 196 . 1 1 17 17 VAL HA H 1 4.659 . . 1 . . . . 17 VAL HA . 15846 1 197 . 1 1 17 17 VAL HB H 1 2.31 . . 1 . . . . 17 VAL HB . 15846 1 198 . 1 1 17 17 VAL HG11 H 1 0.95 . . 1 . . . . 17 VAL HG1 . 15846 1 199 . 1 1 17 17 VAL HG12 H 1 0.95 . . 1 . . . . 17 VAL HG1 . 15846 1 200 . 1 1 17 17 VAL HG13 H 1 0.95 . . 1 . . . . 17 VAL HG1 . 15846 1 201 . 1 1 17 17 VAL HG21 H 1 0.878 . . 1 . . . . 17 VAL HG2 . 15846 1 202 . 1 1 17 17 VAL HG22 H 1 0.878 . . 1 . . . . 17 VAL HG2 . 15846 1 203 . 1 1 17 17 VAL HG23 H 1 0.878 . . 1 . . . . 17 VAL HG2 . 15846 1 204 . 1 1 17 17 VAL C C 13 175.135 . . 1 . . . . 17 VAL C . 15846 1 205 . 1 1 17 17 VAL CA C 13 58.87 . . 1 . . . . 17 VAL CA . 15846 1 206 . 1 1 17 17 VAL CB C 13 36.07 . . 1 . . . . 17 VAL CB . 15846 1 207 . 1 1 17 17 VAL CG1 C 13 21.63 . . 1 . . . . 17 VAL CG1 . 15846 1 208 . 1 1 17 17 VAL CG2 C 13 18.27 . . 1 . . . . 17 VAL CG2 . 15846 1 209 . 1 1 17 17 VAL N N 15 113.23 . . 1 . . . . 17 VAL N . 15846 1 210 . 1 1 18 18 ASP H H 1 8.28 . . 1 . . . . 18 ASP H . 15846 1 211 . 1 1 18 18 ASP HA H 1 5.01 . . 1 . . . . 18 ASP HA . 15846 1 212 . 1 1 18 18 ASP HB2 H 1 2.38 . . 2 . . . . 18 ASP HB2 . 15846 1 213 . 1 1 18 18 ASP HB3 H 1 2.85 . . 2 . . . . 18 ASP HB3 . 15846 1 214 . 1 1 18 18 ASP C C 13 177.35 . . 1 . . . . 18 ASP C . 15846 1 215 . 1 1 18 18 ASP CA C 13 54.765 . . 1 . . . . 18 ASP CA . 15846 1 216 . 1 1 18 18 ASP CB C 13 42.12 . . 1 . . . . 18 ASP CB . 15846 1 217 . 1 1 18 18 ASP N N 15 120.73 . . 1 . . . . 18 ASP N . 15846 1 218 . 1 1 19 19 GLY H H 1 8.951 . . 1 . . . . 19 GLY H . 15846 1 219 . 1 1 19 19 GLY HA2 H 1 2.92 . . 2 . . . . 19 GLY HA2 . 15846 1 220 . 1 1 19 19 GLY HA3 H 1 2.978 . . 2 . . . . 19 GLY HA3 . 15846 1 221 . 1 1 19 19 GLY C C 13 172.45 . . 1 . . . . 19 GLY C . 15846 1 222 . 1 1 19 19 GLY CA C 13 45.370 . . 1 . . . . 19 GLY CA . 15846 1 223 . 1 1 19 19 GLY N N 15 110.58 . . 1 . . . . 19 GLY N . 15846 1 224 . 1 1 20 20 LYS H H 1 8.11 . . 1 . . . . 20 LYS H . 15846 1 225 . 1 1 20 20 LYS HA H 1 4.374 . . 1 . . . . 20 LYS HA . 15846 1 226 . 1 1 20 20 LYS HB2 H 1 1.63 . . 2 . . . . 20 LYS HB2 . 15846 1 227 . 1 1 20 20 LYS HB3 H 1 1.66 . . 2 . . . . 20 LYS HB3 . 15846 1 228 . 1 1 20 20 LYS HD2 H 1 1.56 . . 2 . . . . 20 LYS HD2 . 15846 1 229 . 1 1 20 20 LYS HD3 H 1 1.56 . . 2 . . . . 20 LYS HD3 . 15846 1 230 . 1 1 20 20 LYS HE2 H 1 2.852 . . 2 . . . . 20 LYS HE2 . 15846 1 231 . 1 1 20 20 LYS HE3 H 1 2.852 . . 2 . . . . 20 LYS HE3 . 15846 1 232 . 1 1 20 20 LYS HG2 H 1 1.14 . . 2 . . . . 20 LYS HG2 . 15846 1 233 . 1 1 20 20 LYS HG3 H 1 1.08 . . 2 . . . . 20 LYS HG3 . 15846 1 234 . 1 1 20 20 LYS C C 13 175.71 . . 1 . . . . 20 LYS C . 15846 1 235 . 1 1 20 20 LYS CA C 13 54.8 . . 1 . . . . 20 LYS CA . 15846 1 236 . 1 1 20 20 LYS CB C 13 33.24 . . 1 . . . . 20 LYS CB . 15846 1 237 . 1 1 20 20 LYS CD C 13 29.18 . . 1 . . . . 20 LYS CD . 15846 1 238 . 1 1 20 20 LYS CE C 13 42.11 . . 1 . . . . 20 LYS CE . 15846 1 239 . 1 1 20 20 LYS CG C 13 24.65 . . 1 . . . . 20 LYS CG . 15846 1 240 . 1 1 20 20 LYS N N 15 124.29 . . 1 . . . . 20 LYS N . 15846 1 241 . 1 1 21 21 GLU H H 1 8.71 . . 1 . . . . 21 GLU H . 15846 1 242 . 1 1 21 21 GLU HA H 1 3.93 . . 1 . . . . 21 GLU HA . 15846 1 243 . 1 1 21 21 GLU HB2 H 1 1.80 . . 2 . . . . 21 GLU HB2 . 15846 1 244 . 1 1 21 21 GLU HB3 H 1 1.68 . . 2 . . . . 21 GLU HB3 . 15846 1 245 . 1 1 21 21 GLU HG2 H 1 1.80 . . 2 . . . . 21 GLU HG2 . 15846 1 246 . 1 1 21 21 GLU HG3 H 1 1.68 . . 2 . . . . 21 GLU HG3 . 15846 1 247 . 1 1 21 21 GLU C C 13 175.96 . . 1 . . . . 21 GLU C . 15846 1 248 . 1 1 21 21 GLU CA C 13 56.94 . . 1 . . . . 21 GLU CA . 15846 1 249 . 1 1 21 21 GLU CB C 13 30.439 . . 1 . . . . 21 GLU CB . 15846 1 250 . 1 1 21 21 GLU CG C 13 36.75 . . 1 . . . . 21 GLU CG . 15846 1 251 . 1 1 21 21 GLU N N 15 128.72 . . 1 . . . . 21 GLU N . 15846 1 252 . 1 1 22 22 VAL H H 1 8.621 . . 1 . . . . 22 VAL H . 15846 1 253 . 1 1 22 22 VAL HA H 1 4.16 . . 1 . . . . 22 VAL HA . 15846 1 254 . 1 1 22 22 VAL HB H 1 1.84 . . 1 . . . . 22 VAL HB . 15846 1 255 . 1 1 22 22 VAL HG11 H 1 0.73 . . 1 . . . . 22 VAL HG1 . 15846 1 256 . 1 1 22 22 VAL HG12 H 1 0.73 . . 1 . . . . 22 VAL HG1 . 15846 1 257 . 1 1 22 22 VAL HG13 H 1 0.73 . . 1 . . . . 22 VAL HG1 . 15846 1 258 . 1 1 22 22 VAL HG21 H 1 0.66 . . 1 . . . . 22 VAL HG2 . 15846 1 259 . 1 1 22 22 VAL HG22 H 1 0.66 . . 1 . . . . 22 VAL HG2 . 15846 1 260 . 1 1 22 22 VAL HG23 H 1 0.66 . . 1 . . . . 22 VAL HG2 . 15846 1 261 . 1 1 22 22 VAL C C 13 175.21 . . 1 . . . . 22 VAL C . 15846 1 262 . 1 1 22 22 VAL CA C 13 61.027 . . 1 . . . . 22 VAL CA . 15846 1 263 . 1 1 22 22 VAL CB C 13 34.501 . . 1 . . . . 22 VAL CB . 15846 1 264 . 1 1 22 22 VAL CG1 C 13 21.34 . . 1 . . . . 22 VAL CG1 . 15846 1 265 . 1 1 22 22 VAL CG2 C 13 19.99 . . 1 . . . . 22 VAL CG2 . 15846 1 266 . 1 1 22 22 VAL N N 15 125.34 . . 1 . . . . 22 VAL N . 15846 1 267 . 1 1 23 23 HIS H H 1 8.607 . . 1 . . . . 23 HIS H . 15846 1 268 . 1 1 23 23 HIS HA H 1 4.82 . . 1 . . . . 23 HIS HA . 15846 1 269 . 1 1 23 23 HIS HB2 H 1 3.077 . . 2 . . . . 23 HIS HB2 . 15846 1 270 . 1 1 23 23 HIS HB3 H 1 3.031 . . 2 . . . . 23 HIS HB3 . 15846 1 271 . 1 1 23 23 HIS HD2 H 1 6.786 . . 1 . . . . 23 HIS HD2 . 15846 1 272 . 1 1 23 23 HIS HE1 H 1 8.002 . . 1 . . . . 23 HIS HE1 . 15846 1 273 . 1 1 23 23 HIS C C 13 175.04 . . 1 . . . . 23 HIS C . 15846 1 274 . 1 1 23 23 HIS CA C 13 55.498 . . 1 . . . . 23 HIS CA . 15846 1 275 . 1 1 23 23 HIS CB C 13 30.66 . . 1 . . . . 23 HIS CB . 15846 1 276 . 1 1 23 23 HIS CD2 C 13 118.9 . . 1 . . . . 23 HIS CD2 . 15846 1 277 . 1 1 23 23 HIS CE1 C 13 136.8 . . 1 . . . . 23 HIS CE1 . 15846 1 278 . 1 1 23 23 HIS N N 15 124.00 . . 1 . . . . 23 HIS N . 15846 1 279 . 1 1 24 24 SER H H 1 8.48 . . 1 . . . . 24 SER H . 15846 1 280 . 1 1 24 24 SER HA H 1 4.48 . . 1 . . . . 24 SER HA . 15846 1 281 . 1 1 24 24 SER HB2 H 1 3.59 . . 2 . . . . 24 SER HB2 . 15846 1 282 . 1 1 24 24 SER HB3 H 1 3.65 . . 2 . . . . 24 SER HB3 . 15846 1 283 . 1 1 24 24 SER C C 13 173.86 . . 1 . . . . 24 SER C . 15846 1 284 . 1 1 24 24 SER CA C 13 57.69 . . 1 . . . . 24 SER CA . 15846 1 285 . 1 1 24 24 SER CB C 13 64.58 . . 1 . . . . 24 SER CB . 15846 1 286 . 1 1 24 24 SER N N 15 118.25 . . 1 . . . . 24 SER N . 15846 1 287 . 1 1 25 25 LYS H H 1 8.517 . . 1 . . . . 25 LYS H . 15846 1 288 . 1 1 25 25 LYS HA H 1 4.561 . . 1 . . . . 25 LYS HA . 15846 1 289 . 1 1 25 25 LYS HB2 H 1 1.656 . . 2 . . . . 25 LYS HB2 . 15846 1 290 . 1 1 25 25 LYS HB3 H 1 1.791 . . 2 . . . . 25 LYS HB3 . 15846 1 291 . 1 1 25 25 LYS HD2 H 1 1.62 . . 2 . . . . 25 LYS HD2 . 15846 1 292 . 1 1 25 25 LYS HD3 H 1 1.62 . . 2 . . . . 25 LYS HD3 . 15846 1 293 . 1 1 25 25 LYS HE2 H 1 2.96 . . 2 . . . . 25 LYS HE2 . 15846 1 294 . 1 1 25 25 LYS HE3 H 1 2.903 . . 2 . . . . 25 LYS HE3 . 15846 1 295 . 1 1 25 25 LYS HG2 H 1 1.392 . . 2 . . . . 25 LYS HG2 . 15846 1 296 . 1 1 25 25 LYS HG3 H 1 1.267 . . 2 . . . . 25 LYS HG3 . 15846 1 297 . 1 1 25 25 LYS C C 13 176.16 . . 1 . . . . 25 LYS C . 15846 1 298 . 1 1 25 25 LYS CA C 13 56.255 . . 1 . . . . 25 LYS CA . 15846 1 299 . 1 1 25 25 LYS CB C 13 33.714 . . 1 . . . . 25 LYS CB . 15846 1 300 . 1 1 25 25 LYS CD C 13 29.273 . . 1 . . . . 25 LYS CD . 15846 1 301 . 1 1 25 25 LYS CE C 13 42.014 . . 1 . . . . 25 LYS CE . 15846 1 302 . 1 1 25 25 LYS CG C 13 24.718 . . 1 . . . . 25 LYS CG . 15846 1 303 . 1 1 25 25 LYS N N 15 122.75 . . 1 . . . . 25 LYS N . 15846 1 304 . 1 1 26 26 ALA H H 1 8.468 . . 1 . . . . 26 ALA H . 15846 1 305 . 1 1 26 26 ALA HA H 1 4.47 . . 1 . . . . 26 ALA HA . 15846 1 306 . 1 1 26 26 ALA HB1 H 1 1.44 . . 1 . . . . 26 ALA HB . 15846 1 307 . 1 1 26 26 ALA HB2 H 1 1.44 . . 1 . . . . 26 ALA HB . 15846 1 308 . 1 1 26 26 ALA HB3 H 1 1.44 . . 1 . . . . 26 ALA HB . 15846 1 309 . 1 1 26 26 ALA C C 13 177.95 . . 1 . . . . 26 ALA C . 15846 1 310 . 1 1 26 26 ALA CA C 13 51.912 . . 1 . . . . 26 ALA CA . 15846 1 311 . 1 1 26 26 ALA CB C 13 20.05 . . 1 . . . . 26 ALA CB . 15846 1 312 . 1 1 26 26 ALA N N 15 125.37 . . 1 . . . . 26 ALA N . 15846 1 313 . 1 1 27 27 ASP H H 1 8.509 . . 1 . . . . 27 ASP H . 15846 1 314 . 1 1 27 27 ASP HA H 1 4.46 . . 1 . . . . 27 ASP HA . 15846 1 315 . 1 1 27 27 ASP HB2 H 1 2.68 . . 2 . . . . 27 ASP HB2 . 15846 1 316 . 1 1 27 27 ASP HB3 H 1 2.633 . . 2 . . . . 27 ASP HB3 . 15846 1 317 . 1 1 27 27 ASP C C 13 176.48 . . 1 . . . . 27 ASP C . 15846 1 318 . 1 1 27 27 ASP CA C 13 55.490 . . 1 . . . . 27 ASP CA . 15846 1 319 . 1 1 27 27 ASP CB C 13 40.771 . . 1 . . . . 27 ASP CB . 15846 1 320 . 1 1 27 27 ASP N N 15 120.38 . . 1 . . . . 27 ASP N . 15846 1 321 . 1 1 28 28 ASN H H 1 8.193 . . 1 . . . . 28 ASN H . 15846 1 322 . 1 1 28 28 ASN HA H 1 4.62 . . 1 . . . . 28 ASN HA . 15846 1 323 . 1 1 28 28 ASN HB2 H 1 2.84 . . 2 . . . . 28 ASN HB2 . 15846 1 324 . 1 1 28 28 ASN HB3 H 1 2.98 . . 2 . . . . 28 ASN HB3 . 15846 1 325 . 1 1 28 28 ASN HD21 H 1 6.844 . . 2 . . . . 28 ASN HD21 . 15846 1 326 . 1 1 28 28 ASN HD22 H 1 7.539 . . 2 . . . . 28 ASN HD22 . 15846 1 327 . 1 1 28 28 ASN C C 13 176.31 . . 1 . . . . 28 ASN C . 15846 1 328 . 1 1 28 28 ASN CA C 13 53.05 . . 1 . . . . 28 ASN CA . 15846 1 329 . 1 1 28 28 ASN CB C 13 38.08 . . 1 . . . . 28 ASN CB . 15846 1 330 . 1 1 28 28 ASN N N 15 117.47 . . 1 . . . . 28 ASN N . 15846 1 331 . 1 1 28 28 ASN ND2 N 15 110.8 . . 1 . . . . 28 ASN ND2 . 15846 1 332 . 1 1 29 29 GLY H H 1 8.359 . . 1 . . . . 29 GLY H . 15846 1 333 . 1 1 29 29 GLY HA2 H 1 4.11 . . 2 . . . . 29 GLY HA2 . 15846 1 334 . 1 1 29 29 GLY HA3 H 1 3.72 . . 2 . . . . 29 GLY HA3 . 15846 1 335 . 1 1 29 29 GLY C C 13 174.365 . . 1 . . . . 29 GLY C . 15846 1 336 . 1 1 29 29 GLY CA C 13 45.688 . . 1 . . . . 29 GLY CA . 15846 1 337 . 1 1 29 29 GLY N N 15 108.23 . . 1 . . . . 29 GLY N . 15846 1 338 . 1 1 30 30 GLN H H 1 7.92 . . 1 . . . . 30 GLN H . 15846 1 339 . 1 1 30 30 GLN HA H 1 4.2 . . 1 . . . . 30 GLN HA . 15846 1 340 . 1 1 30 30 GLN HB2 H 1 1.97 . . 2 . . . . 30 GLN HB2 . 15846 1 341 . 1 1 30 30 GLN HB3 H 1 1.97 . . 2 . . . . 30 GLN HB3 . 15846 1 342 . 1 1 30 30 GLN HE21 H 1 6.91 . . 2 . . . . 30 GLN HE21 . 15846 1 343 . 1 1 30 30 GLN HE22 H 1 7.477 . . 2 . . . . 30 GLN HE22 . 15846 1 344 . 1 1 30 30 GLN HG2 H 1 2.23 . . 2 . . . . 30 GLN HG2 . 15846 1 345 . 1 1 30 30 GLN HG3 H 1 2.23 . . 2 . . . . 30 GLN HG3 . 15846 1 346 . 1 1 30 30 GLN C C 13 174.33 . . 1 . . . . 30 GLN C . 15846 1 347 . 1 1 30 30 GLN CA C 13 56.21 . . 1 . . . . 30 GLN CA . 15846 1 348 . 1 1 30 30 GLN CB C 13 29.32 . . 1 . . . . 30 GLN CB . 15846 1 349 . 1 1 30 30 GLN CG C 13 33.8 . . 1 . . . . 30 GLN CG . 15846 1 350 . 1 1 30 30 GLN N N 15 119.67 . . 1 . . . . 30 GLN N . 15846 1 351 . 1 1 30 30 GLN NE2 N 15 112.9 . . 1 . . . . 30 GLN NE2 . 15846 1 352 . 1 1 31 31 LYS H H 1 8.39 . . 1 . . . . 31 LYS H . 15846 1 353 . 1 1 31 31 LYS HA H 1 4.49 . . 1 . . . . 31 LYS HA . 15846 1 354 . 1 1 31 31 LYS HB2 H 1 1.65 . . 2 . . . . 31 LYS HB2 . 15846 1 355 . 1 1 31 31 LYS HB3 H 1 1.71 . . 2 . . . . 31 LYS HB3 . 15846 1 356 . 1 1 31 31 LYS HD2 H 1 1.592 . . 2 . . . . 31 LYS HD2 . 15846 1 357 . 1 1 31 31 LYS HD3 H 1 1.592 . . 2 . . . . 31 LYS HD3 . 15846 1 358 . 1 1 31 31 LYS HE2 H 1 2.94 . . 2 . . . . 31 LYS HE2 . 15846 1 359 . 1 1 31 31 LYS HE3 H 1 2.94 . . 2 . . . . 31 LYS HE3 . 15846 1 360 . 1 1 31 31 LYS HG2 H 1 1.301 . . 2 . . . . 31 LYS HG2 . 15846 1 361 . 1 1 31 31 LYS HG3 H 1 1.301 . . 2 . . . . 31 LYS HG3 . 15846 1 362 . 1 1 31 31 LYS C C 13 176.052 . . 1 . . . . 31 LYS C . 15846 1 363 . 1 1 31 31 LYS CA C 13 56.417 . . 1 . . . . 31 LYS CA . 15846 1 364 . 1 1 31 31 LYS CB C 13 33.414 . . 1 . . . . 31 LYS CB . 15846 1 365 . 1 1 31 31 LYS CD C 13 29.146 . . 1 . . . . 31 LYS CD . 15846 1 366 . 1 1 31 31 LYS CE C 13 42.095 . . 1 . . . . 31 LYS CE . 15846 1 367 . 1 1 31 31 LYS CG C 13 25.003 . . 1 . . . . 31 LYS CG . 15846 1 368 . 1 1 31 31 LYS N N 15 121.95 . . 1 . . . . 31 LYS N . 15846 1 369 . 1 1 32 32 TYR H H 1 8.16 . . 1 . . . . 32 TYR H . 15846 1 370 . 1 1 32 32 TYR HA H 1 4.77 . . 1 . . . . 32 TYR HA . 15846 1 371 . 1 1 32 32 TYR HB2 H 1 2.89 . . 2 . . . . 32 TYR HB2 . 15846 1 372 . 1 1 32 32 TYR HB3 H 1 3.08 . . 2 . . . . 32 TYR HB3 . 15846 1 373 . 1 1 32 32 TYR HD1 H 1 7.036 . . 2 . . . . 32 TYR HD1 . 15846 1 374 . 1 1 32 32 TYR HD2 H 1 7.036 . . 2 . . . . 32 TYR HD2 . 15846 1 375 . 1 1 32 32 TYR HE1 H 1 6.76 . . 2 . . . . 32 TYR HE1 . 15846 1 376 . 1 1 32 32 TYR HE2 H 1 6.76 . . 2 . . . . 32 TYR HE2 . 15846 1 377 . 1 1 32 32 TYR C C 13 175.56 . . 1 . . . . 32 TYR C . 15846 1 378 . 1 1 32 32 TYR CA C 13 56.3 . . 1 . . . . 32 TYR CA . 15846 1 379 . 1 1 32 32 TYR CB C 13 40.074 . . 1 . . . . 32 TYR CB . 15846 1 380 . 1 1 32 32 TYR CD1 C 13 133.0 . . 2 . . . . 32 TYR CD1 . 15846 1 381 . 1 1 32 32 TYR CD2 C 13 133.0 . . 2 . . . . 32 TYR CD2 . 15846 1 382 . 1 1 32 32 TYR CE1 C 13 117.7 . . 2 . . . . 32 TYR CE1 . 15846 1 383 . 1 1 32 32 TYR CE2 C 13 117.7 . . 2 . . . . 32 TYR CE2 . 15846 1 384 . 1 1 32 32 TYR N N 15 119.96 . . 1 . . . . 32 TYR N . 15846 1 385 . 1 1 33 33 LYS H H 1 8.397 . . 1 . . . . 33 LYS H . 15846 1 386 . 1 1 33 33 LYS HA H 1 4.61 . . 1 . . . . 33 LYS HA . 15846 1 387 . 1 1 33 33 LYS HB2 H 1 1.437 . . 2 . . . . 33 LYS HB2 . 15846 1 388 . 1 1 33 33 LYS HB3 H 1 1.471 . . 2 . . . . 33 LYS HB3 . 15846 1 389 . 1 1 33 33 LYS HD2 H 1 1.443 . . 2 . . . . 33 LYS HD2 . 15846 1 390 . 1 1 33 33 LYS HD3 H 1 1.443 . . 2 . . . . 33 LYS HD3 . 15846 1 391 . 1 1 33 33 LYS HE2 H 1 2.858 . . 2 . . . . 33 LYS HE2 . 15846 1 392 . 1 1 33 33 LYS HE3 H 1 2.858 . . 2 . . . . 33 LYS HE3 . 15846 1 393 . 1 1 33 33 LYS HG2 H 1 1.025 . . 2 . . . . 33 LYS HG2 . 15846 1 394 . 1 1 33 33 LYS HG3 H 1 1.107 . . 2 . . . . 33 LYS HG3 . 15846 1 395 . 1 1 33 33 LYS C C 13 174.08 . . 1 . . . . 33 LYS C . 15846 1 396 . 1 1 33 33 LYS CA C 13 55.512 . . 1 . . . . 33 LYS CA . 15846 1 397 . 1 1 33 33 LYS CB C 13 34.57 . . 1 . . . . 33 LYS CB . 15846 1 398 . 1 1 33 33 LYS CD C 13 29.36 . . 1 . . . . 33 LYS CD . 15846 1 399 . 1 1 33 33 LYS CE C 13 42.08 . . 1 . . . . 33 LYS CE . 15846 1 400 . 1 1 33 33 LYS CG C 13 24.60 . . 1 . . . . 33 LYS CG . 15846 1 401 . 1 1 33 33 LYS N N 15 122.08 . . 1 . . . . 33 LYS N . 15846 1 402 . 1 1 34 34 ASP H H 1 8.14 . . 1 . . . . 34 ASP H . 15846 1 403 . 1 1 34 34 ASP HA H 1 5.04 . . 1 . . . . 34 ASP HA . 15846 1 404 . 1 1 34 34 ASP HB2 H 1 2.33 . . 2 . . . . 34 ASP HB2 . 15846 1 405 . 1 1 34 34 ASP HB3 H 1 2.47 . . 2 . . . . 34 ASP HB3 . 15846 1 406 . 1 1 34 34 ASP C C 13 173.74 . . 1 . . . . 34 ASP C . 15846 1 407 . 1 1 34 34 ASP CA C 13 53.104 . . 1 . . . . 34 ASP CA . 15846 1 408 . 1 1 34 34 ASP CB C 13 44.29 . . 1 . . . . 34 ASP CB . 15846 1 409 . 1 1 34 34 ASP N N 15 121.43 . . 1 . . . . 34 ASP N . 15846 1 410 . 1 1 35 35 TYR H H 1 8.849 . . 1 . . . . 35 TYR H . 15846 1 411 . 1 1 35 35 TYR HA H 1 4.66 . . 1 . . . . 35 TYR HA . 15846 1 412 . 1 1 35 35 TYR HB2 H 1 2.18 . . 2 . . . . 35 TYR HB2 . 15846 1 413 . 1 1 35 35 TYR HB3 H 1 2.756 . . 2 . . . . 35 TYR HB3 . 15846 1 414 . 1 1 35 35 TYR HD1 H 1 6.564 . . 2 . . . . 35 TYR HD1 . 15846 1 415 . 1 1 35 35 TYR HD2 H 1 6.564 . . 2 . . . . 35 TYR HD2 . 15846 1 416 . 1 1 35 35 TYR HE1 H 1 6.655 . . 2 . . . . 35 TYR HE1 . 15846 1 417 . 1 1 35 35 TYR HE2 H 1 6.655 . . 2 . . . . 35 TYR HE2 . 15846 1 418 . 1 1 35 35 TYR C C 13 174.45 . . 1 . . . . 35 TYR C . 15846 1 419 . 1 1 35 35 TYR CA C 13 57.177 . . 1 . . . . 35 TYR CA . 15846 1 420 . 1 1 35 35 TYR CB C 13 40.955 . . 1 . . . . 35 TYR CB . 15846 1 421 . 1 1 35 35 TYR CD1 C 13 131.9 . . 2 . . . . 35 TYR CD1 . 15846 1 422 . 1 1 35 35 TYR CD2 C 13 131.9 . . 2 . . . . 35 TYR CD2 . 15846 1 423 . 1 1 35 35 TYR CE1 C 13 117.4 . . 2 . . . . 35 TYR CE1 . 15846 1 424 . 1 1 35 35 TYR CE2 C 13 117.4 . . 2 . . . . 35 TYR CE2 . 15846 1 425 . 1 1 35 35 TYR N N 15 116.67 . . 1 . . . . 35 TYR N . 15846 1 426 . 1 1 36 36 GLU H H 1 9.144 . . 1 . . . . 36 GLU H . 15846 1 427 . 1 1 36 36 GLU HA H 1 4.615 . . 1 . . . . 36 GLU HA . 15846 1 428 . 1 1 36 36 GLU HB2 H 1 1.85 . . 2 . . . . 36 GLU HB2 . 15846 1 429 . 1 1 36 36 GLU HB3 H 1 1.77 . . 2 . . . . 36 GLU HB3 . 15846 1 430 . 1 1 36 36 GLU HG2 H 1 1.99 . . 2 . . . . 36 GLU HG2 . 15846 1 431 . 1 1 36 36 GLU HG3 H 1 2.04 . . 2 . . . . 36 GLU HG3 . 15846 1 432 . 1 1 36 36 GLU C C 13 175.85 . . 1 . . . . 36 GLU C . 15846 1 433 . 1 1 36 36 GLU CA C 13 55.7 . . 1 . . . . 36 GLU CA . 15846 1 434 . 1 1 36 36 GLU CB C 13 32.541 . . 1 . . . . 36 GLU CB . 15846 1 435 . 1 1 36 36 GLU CG C 13 36.66 . . 1 . . . . 36 GLU CG . 15846 1 436 . 1 1 36 36 GLU N N 15 122.49 . . 1 . . . . 36 GLU N . 15846 1 437 . 1 1 37 37 TYR H H 1 8.598 . . 1 . . . . 37 TYR H . 15846 1 438 . 1 1 37 37 TYR HA H 1 4.09 . . 1 . . . . 37 TYR HA . 15846 1 439 . 1 1 37 37 TYR HB2 H 1 1.85 . . 2 . . . . 37 TYR HB2 . 15846 1 440 . 1 1 37 37 TYR HB3 H 1 0.95 . . 2 . . . . 37 TYR HB3 . 15846 1 441 . 1 1 37 37 TYR HD1 H 1 6.512 . . 2 . . . . 37 TYR HD1 . 15846 1 442 . 1 1 37 37 TYR HD2 H 1 6.512 . . 2 . . . . 37 TYR HD2 . 15846 1 443 . 1 1 37 37 TYR HE1 H 1 6.516 . . 2 . . . . 37 TYR HE1 . 15846 1 444 . 1 1 37 37 TYR HE2 H 1 6.516 . . 2 . . . . 37 TYR HE2 . 15846 1 445 . 1 1 37 37 TYR C C 13 174.14 . . 1 . . . . 37 TYR C . 15846 1 446 . 1 1 37 37 TYR CA C 13 58.399 . . 1 . . . . 37 TYR CA . 15846 1 447 . 1 1 37 37 TYR CB C 13 41.69 . . 1 . . . . 37 TYR CB . 15846 1 448 . 1 1 37 37 TYR CD1 C 13 132.4 . . 2 . . . . 37 TYR CD1 . 15846 1 449 . 1 1 37 37 TYR CD2 C 13 132.4 . . 2 . . . . 37 TYR CD2 . 15846 1 450 . 1 1 37 37 TYR CE1 C 13 116.6 . . 2 . . . . 37 TYR CE1 . 15846 1 451 . 1 1 37 37 TYR CE2 C 13 116.6 . . 2 . . . . 37 TYR CE2 . 15846 1 452 . 1 1 37 37 TYR N N 15 122.48 . . 1 . . . . 37 TYR N . 15846 1 453 . 1 1 38 38 LYS H H 1 8.410 . . 1 . . . . 38 LYS H . 15846 1 454 . 1 1 38 38 LYS HA H 1 5.08 . . 1 . . . . 38 LYS HA . 15846 1 455 . 1 1 38 38 LYS HB2 H 1 1.544 . . 2 . . . . 38 LYS HB2 . 15846 1 456 . 1 1 38 38 LYS HB3 H 1 1.694 . . 2 . . . . 38 LYS HB3 . 15846 1 457 . 1 1 38 38 LYS HD2 H 1 1.53 . . 2 . . . . 38 LYS HD2 . 15846 1 458 . 1 1 38 38 LYS HD3 H 1 1.53 . . 2 . . . . 38 LYS HD3 . 15846 1 459 . 1 1 38 38 LYS HE2 H 1 2.795 . . 2 . . . . 38 LYS HE2 . 15846 1 460 . 1 1 38 38 LYS HE3 H 1 2.795 . . 2 . . . . 38 LYS HE3 . 15846 1 461 . 1 1 38 38 LYS HG2 H 1 1.12 . . 2 . . . . 38 LYS HG2 . 15846 1 462 . 1 1 38 38 LYS HG3 H 1 1.117 . . 2 . . . . 38 LYS HG3 . 15846 1 463 . 1 1 38 38 LYS C C 13 174.98 . . 1 . . . . 38 LYS C . 15846 1 464 . 1 1 38 38 LYS CA C 13 56.133 . . 1 . . . . 38 LYS CA . 15846 1 465 . 1 1 38 38 LYS CB C 13 33.525 . . 1 . . . . 38 LYS CB . 15846 1 466 . 1 1 38 38 LYS CD C 13 29.468 . . 1 . . . . 38 LYS CD . 15846 1 467 . 1 1 38 38 LYS CE C 13 42.023 . . 1 . . . . 38 LYS CE . 15846 1 468 . 1 1 38 38 LYS CG C 13 25.167 . . 1 . . . . 38 LYS CG . 15846 1 469 . 1 1 38 38 LYS N N 15 124.25 . . 1 . . . . 38 LYS N . 15846 1 470 . 1 1 39 39 LEU H H 1 8.555 . . 1 . . . . 39 LEU H . 15846 1 471 . 1 1 39 39 LEU HA H 1 4.865 . . 1 . . . . 39 LEU HA . 15846 1 472 . 1 1 39 39 LEU HB2 H 1 1.64 . . 2 . . . . 39 LEU HB2 . 15846 1 473 . 1 1 39 39 LEU HB3 H 1 1.395 . . 2 . . . . 39 LEU HB3 . 15846 1 474 . 1 1 39 39 LEU HD11 H 1 0.82 . . 1 . . . . 39 LEU HD1 . 15846 1 475 . 1 1 39 39 LEU HD12 H 1 0.82 . . 1 . . . . 39 LEU HD1 . 15846 1 476 . 1 1 39 39 LEU HD13 H 1 0.82 . . 1 . . . . 39 LEU HD1 . 15846 1 477 . 1 1 39 39 LEU HD21 H 1 1.088 . . 1 . . . . 39 LEU HD2 . 15846 1 478 . 1 1 39 39 LEU HD22 H 1 1.088 . . 1 . . . . 39 LEU HD2 . 15846 1 479 . 1 1 39 39 LEU HD23 H 1 1.088 . . 1 . . . . 39 LEU HD2 . 15846 1 480 . 1 1 39 39 LEU C C 13 175.12 . . 1 . . . . 39 LEU C . 15846 1 481 . 1 1 39 39 LEU CA C 13 53.316 . . 1 . . . . 39 LEU CA . 15846 1 482 . 1 1 39 39 LEU CB C 13 47.338 . . 1 . . . . 39 LEU CB . 15846 1 483 . 1 1 39 39 LEU CD1 C 13 27.2 . . 1 . . . . 39 LEU CD1 . 15846 1 484 . 1 1 39 39 LEU CD2 C 13 23.85 . . 1 . . . . 39 LEU CD2 . 15846 1 485 . 1 1 39 39 LEU N N 15 124.84 . . 1 . . . . 39 LEU N . 15846 1 486 . 1 1 40 40 THR H H 1 8.615 . . 1 . . . . 40 THR H . 15846 1 487 . 1 1 40 40 THR HA H 1 4.41 . . 1 . . . . 40 THR HA . 15846 1 488 . 1 1 40 40 THR HB H 1 3.83 . . 1 . . . . 40 THR HB . 15846 1 489 . 1 1 40 40 THR HG21 H 1 0.746 . . 1 . . . . 40 THR HG2 . 15846 1 490 . 1 1 40 40 THR HG22 H 1 0.746 . . 1 . . . . 40 THR HG2 . 15846 1 491 . 1 1 40 40 THR HG23 H 1 0.746 . . 1 . . . . 40 THR HG2 . 15846 1 492 . 1 1 40 40 THR C C 13 173.36 . . 1 . . . . 40 THR C . 15846 1 493 . 1 1 40 40 THR CA C 13 63.2 . . 1 . . . . 40 THR CA . 15846 1 494 . 1 1 40 40 THR CB C 13 69.1 . . 1 . . . . 40 THR CB . 15846 1 495 . 1 1 40 40 THR CG2 C 13 22.367 . . 1 . . . . 40 THR CG2 . 15846 1 496 . 1 1 40 40 THR N N 15 118.39 . . 1 . . . . 40 THR N . 15846 1 497 . 1 1 41 41 GLY H H 1 8.545 . . 1 . . . . 41 GLY H . 15846 1 498 . 1 1 41 41 GLY HA2 H 1 3.03 . . 2 . . . . 41 GLY HA2 . 15846 1 499 . 1 1 41 41 GLY HA3 H 1 4.91 . . 2 . . . . 41 GLY HA3 . 15846 1 500 . 1 1 41 41 GLY C C 13 171.375 . . 1 . . . . 41 GLY C . 15846 1 501 . 1 1 41 41 GLY CA C 13 43.963 . . 1 . . . . 41 GLY CA . 15846 1 502 . 1 1 41 41 GLY N N 15 113.50 . . 1 . . . . 41 GLY N . 15846 1 503 . 1 1 42 42 PHE H H 1 8.65 . . 1 . . . . 42 PHE H . 15846 1 504 . 1 1 42 42 PHE HA H 1 5.91 . . 1 . . . . 42 PHE HA . 15846 1 505 . 1 1 42 42 PHE HB2 H 1 2.99 . . 2 . . . . 42 PHE HB2 . 15846 1 506 . 1 1 42 42 PHE HB3 H 1 2.71 . . 2 . . . . 42 PHE HB3 . 15846 1 507 . 1 1 42 42 PHE HD1 H 1 7.09 . . 2 . . . . 42 PHE HD1 . 15846 1 508 . 1 1 42 42 PHE HD2 H 1 7.09 . . 2 . . . . 42 PHE HD2 . 15846 1 509 . 1 1 42 42 PHE HE1 H 1 7.34 . . 2 . . . . 42 PHE HE1 . 15846 1 510 . 1 1 42 42 PHE HE2 H 1 7.34 . . 2 . . . . 42 PHE HE2 . 15846 1 511 . 1 1 42 42 PHE HZ H 1 7.27 . . 1 . . . . 42 PHE HZ . 15846 1 512 . 1 1 42 42 PHE C C 13 176.67 . . 1 . . . . 42 PHE C . 15846 1 513 . 1 1 42 42 PHE CA C 13 56.26 . . 1 . . . . 42 PHE CA . 15846 1 514 . 1 1 42 42 PHE CB C 13 44.75 . . 1 . . . . 42 PHE CB . 15846 1 515 . 1 1 42 42 PHE CD1 C 13 131.3 . . 2 . . . . 42 PHE CD1 . 15846 1 516 . 1 1 42 42 PHE CD2 C 13 131.3 . . 2 . . . . 42 PHE CD2 . 15846 1 517 . 1 1 42 42 PHE CE1 C 13 131.1 . . 2 . . . . 42 PHE CE1 . 15846 1 518 . 1 1 42 42 PHE CE2 C 13 131.1 . . 2 . . . . 42 PHE CE2 . 15846 1 519 . 1 1 42 42 PHE CZ C 13 129.5 . . 1 . . . . 42 PHE CZ . 15846 1 520 . 1 1 42 42 PHE N N 15 113.3 . . 1 . . . . 42 PHE N . 15846 1 521 . 1 1 43 43 ASP H H 1 9.040 . . 1 . . . . 43 ASP H . 15846 1 522 . 1 1 43 43 ASP HA H 1 5.10 . . 1 . . . . 43 ASP HA . 15846 1 523 . 1 1 43 43 ASP HB2 H 1 3.12 . . 2 . . . . 43 ASP HB2 . 15846 1 524 . 1 1 43 43 ASP HB3 H 1 2.41 . . 2 . . . . 43 ASP HB3 . 15846 1 525 . 1 1 43 43 ASP C C 13 177.79 . . 1 . . . . 43 ASP C . 15846 1 526 . 1 1 43 43 ASP CA C 13 51.99 . . 1 . . . . 43 ASP CA . 15846 1 527 . 1 1 43 43 ASP CB C 13 41.66 . . 1 . . . . 43 ASP CB . 15846 1 528 . 1 1 43 43 ASP N N 15 123.45 . . 1 . . . . 43 ASP N . 15846 1 529 . 1 1 44 44 LYS H H 1 8.689 . . 1 . . . . 44 LYS H . 15846 1 530 . 1 1 44 44 LYS HA H 1 3.92 . . 1 . . . . 44 LYS HA . 15846 1 531 . 1 1 44 44 LYS HB2 H 1 2.057 . . 2 . . . . 44 LYS HB2 . 15846 1 532 . 1 1 44 44 LYS HB3 H 1 1.828 . . 2 . . . . 44 LYS HB3 . 15846 1 533 . 1 1 44 44 LYS HD2 H 1 1.26 . . 2 . . . . 44 LYS HD2 . 15846 1 534 . 1 1 44 44 LYS HD3 H 1 1.44 . . 2 . . . . 44 LYS HD3 . 15846 1 535 . 1 1 44 44 LYS HE2 H 1 2.60 . . 2 . . . . 44 LYS HE2 . 15846 1 536 . 1 1 44 44 LYS HE3 H 1 2.66 . . 2 . . . . 44 LYS HE3 . 15846 1 537 . 1 1 44 44 LYS HG2 H 1 1.464 . . 2 . . . . 44 LYS HG2 . 15846 1 538 . 1 1 44 44 LYS HG3 H 1 1.297 . . 2 . . . . 44 LYS HG3 . 15846 1 539 . 1 1 44 44 LYS C C 13 175.45 . . 1 . . . . 44 LYS C . 15846 1 540 . 1 1 44 44 LYS CA C 13 58.73 . . 1 . . . . 44 LYS CA . 15846 1 541 . 1 1 44 44 LYS CB C 13 31.707 . . 1 . . . . 44 LYS CB . 15846 1 542 . 1 1 44 44 LYS CD C 13 29.562 . . 1 . . . . 44 LYS CD . 15846 1 543 . 1 1 44 44 LYS CE C 13 42.349 . . 1 . . . . 44 LYS CE . 15846 1 544 . 1 1 44 44 LYS CG C 13 23.439 . . 1 . . . . 44 LYS CG . 15846 1 545 . 1 1 44 44 LYS N N 15 113.36 . . 1 . . . . 44 LYS N . 15846 1 546 . 1 1 45 45 ASP H H 1 8.178 . . 1 . . . . 45 ASP H . 15846 1 547 . 1 1 45 45 ASP HA H 1 4.93 . . 1 . . . . 45 ASP HA . 15846 1 548 . 1 1 45 45 ASP HB2 H 1 2.71 . . 2 . . . . 45 ASP HB2 . 15846 1 549 . 1 1 45 45 ASP HB3 H 1 2.92 . . 2 . . . . 45 ASP HB3 . 15846 1 550 . 1 1 45 45 ASP C C 13 176.71 . . 1 . . . . 45 ASP C . 15846 1 551 . 1 1 45 45 ASP CA C 13 54.501 . . 1 . . . . 45 ASP CA . 15846 1 552 . 1 1 45 45 ASP CB C 13 42.26 . . 1 . . . . 45 ASP CB . 15846 1 553 . 1 1 45 45 ASP N N 15 119.05 . . 1 . . . . 45 ASP N . 15846 1 554 . 1 1 46 46 GLY H H 1 8.853 . . 1 . . . . 46 GLY H . 15846 1 555 . 1 1 46 46 GLY HA2 H 1 4.12 . . 2 . . . . 46 GLY HA2 . 15846 1 556 . 1 1 46 46 GLY HA3 H 1 3.35 . . 2 . . . . 46 GLY HA3 . 15846 1 557 . 1 1 46 46 GLY C C 13 173.02 . . 1 . . . . 46 GLY C . 15846 1 558 . 1 1 46 46 GLY CA C 13 45.51 . . 1 . . . . 46 GLY CA . 15846 1 559 . 1 1 46 46 GLY N N 15 110.25 . . 1 . . . . 46 GLY N . 15846 1 560 . 1 1 47 47 LYS H H 1 8.64 . . 1 . . . . 47 LYS H . 15846 1 561 . 1 1 47 47 LYS HA H 1 4.32 . . 1 . . . . 47 LYS HA . 15846 1 562 . 1 1 47 47 LYS HB2 H 1 1.97 . . 2 . . . . 47 LYS HB2 . 15846 1 563 . 1 1 47 47 LYS HB3 H 1 1.97 . . 2 . . . . 47 LYS HB3 . 15846 1 564 . 1 1 47 47 LYS HD2 H 1 1.76 . . 2 . . . . 47 LYS HD2 . 15846 1 565 . 1 1 47 47 LYS HD3 H 1 1.54 . . 2 . . . . 47 LYS HD3 . 15846 1 566 . 1 1 47 47 LYS HE2 H 1 3.07 . . 2 . . . . 47 LYS HE2 . 15846 1 567 . 1 1 47 47 LYS HE3 H 1 3.07 . . 2 . . . . 47 LYS HE3 . 15846 1 568 . 1 1 47 47 LYS HG2 H 1 1.43 . . 2 . . . . 47 LYS HG2 . 15846 1 569 . 1 1 47 47 LYS HG3 H 1 1.57 . . 2 . . . . 47 LYS HG3 . 15846 1 570 . 1 1 47 47 LYS C C 13 176.18 . . 1 . . . . 47 LYS C . 15846 1 571 . 1 1 47 47 LYS CA C 13 57.2 . . 1 . . . . 47 LYS CA . 15846 1 572 . 1 1 47 47 LYS CB C 13 32.3 . . 1 . . . . 47 LYS CB . 15846 1 573 . 1 1 47 47 LYS CD C 13 29.18 . . 1 . . . . 47 LYS CD . 15846 1 574 . 1 1 47 47 LYS CE C 13 42.17 . . 1 . . . . 47 LYS CE . 15846 1 575 . 1 1 47 47 LYS CG C 13 25.36 . . 1 . . . . 47 LYS CG . 15846 1 576 . 1 1 47 47 LYS N N 15 123.45 . . 1 . . . . 47 LYS N . 15846 1 577 . 1 1 48 48 GLU H H 1 8.51 . . 1 . . . . 48 GLU H . 15846 1 578 . 1 1 48 48 GLU HA H 1 4.914 . . 1 . . . . 48 GLU HA . 15846 1 579 . 1 1 48 48 GLU HB2 H 1 1.84 . . 2 . . . . 48 GLU HB2 . 15846 1 580 . 1 1 48 48 GLU HB3 H 1 1.76 . . 2 . . . . 48 GLU HB3 . 15846 1 581 . 1 1 48 48 GLU HG2 H 1 2.073 . . 2 . . . . 48 GLU HG2 . 15846 1 582 . 1 1 48 48 GLU HG3 H 1 2.073 . . 2 . . . . 48 GLU HG3 . 15846 1 583 . 1 1 48 48 GLU C C 13 176.545 . . 1 . . . . 48 GLU C . 15846 1 584 . 1 1 48 48 GLU CA C 13 55.54 . . 1 . . . . 48 GLU CA . 15846 1 585 . 1 1 48 48 GLU CB C 13 32.85 . . 1 . . . . 48 GLU CB . 15846 1 586 . 1 1 48 48 GLU CG C 13 36.357 . . 1 . . . . 48 GLU CG . 15846 1 587 . 1 1 48 48 GLU N N 15 123.3 . . 1 . . . . 48 GLU N . 15846 1 588 . 1 1 49 49 LYS H H 1 8.304 . . 1 . . . . 49 LYS H . 15846 1 589 . 1 1 49 49 LYS HA H 1 4.08 . . 1 . . . . 49 LYS HA . 15846 1 590 . 1 1 49 49 LYS HB2 H 1 0.997 . . 2 . . . . 49 LYS HB2 . 15846 1 591 . 1 1 49 49 LYS HB3 H 1 0.346 . . 2 . . . . 49 LYS HB3 . 15846 1 592 . 1 1 49 49 LYS HD2 H 1 1.21 . . 2 . . . . 49 LYS HD2 . 15846 1 593 . 1 1 49 49 LYS HD3 H 1 1.227 . . 2 . . . . 49 LYS HD3 . 15846 1 594 . 1 1 49 49 LYS HE2 H 1 2.63 . . 2 . . . . 49 LYS HE2 . 15846 1 595 . 1 1 49 49 LYS HE3 H 1 2.56 . . 2 . . . . 49 LYS HE3 . 15846 1 596 . 1 1 49 49 LYS HG2 H 1 0.607 . . 2 . . . . 49 LYS HG2 . 15846 1 597 . 1 1 49 49 LYS HG3 H 1 0.106 . . 2 . . . . 49 LYS HG3 . 15846 1 598 . 1 1 49 49 LYS C C 13 173.87 . . 1 . . . . 49 LYS C . 15846 1 599 . 1 1 49 49 LYS CA C 13 54.797 . . 1 . . . . 49 LYS CA . 15846 1 600 . 1 1 49 49 LYS CB C 13 36.248 . . 1 . . . . 49 LYS CB . 15846 1 601 . 1 1 49 49 LYS CD C 13 27.847 . . 1 . . . . 49 LYS CD . 15846 1 602 . 1 1 49 49 LYS CE C 13 41.784 . . 1 . . . . 49 LYS CE . 15846 1 603 . 1 1 49 49 LYS CG C 13 23.65 . . 1 . . . . 49 LYS CG . 15846 1 604 . 1 1 49 49 LYS N N 15 123.45 . . 1 . . . . 49 LYS N . 15846 1 605 . 1 1 50 50 GLU H H 1 8.377 . . 1 . . . . 50 GLU H . 15846 1 606 . 1 1 50 50 GLU HA H 1 4.298 . . 1 . . . . 50 GLU HA . 15846 1 607 . 1 1 50 50 GLU HB2 H 1 1.848 . . 2 . . . . 50 GLU HB2 . 15846 1 608 . 1 1 50 50 GLU HB3 H 1 1.773 . . 2 . . . . 50 GLU HB3 . 15846 1 609 . 1 1 50 50 GLU HG2 H 1 1.968 . . 2 . . . . 50 GLU HG2 . 15846 1 610 . 1 1 50 50 GLU HG3 H 1 1.968 . . 2 . . . . 50 GLU HG3 . 15846 1 611 . 1 1 50 50 GLU C C 13 175.09 . . 1 . . . . 50 GLU C . 15846 1 612 . 1 1 50 50 GLU CA C 13 56.95 . . 1 . . . . 50 GLU CA . 15846 1 613 . 1 1 50 50 GLU CB C 13 29.872 . . 1 . . . . 50 GLU CB . 15846 1 614 . 1 1 50 50 GLU CG C 13 36.71 . . 1 . . . . 50 GLU CG . 15846 1 615 . 1 1 50 50 GLU N N 15 127.10 . . 1 . . . . 50 GLU N . 15846 1 616 . 1 1 51 51 LEU H H 1 8.934 . . 1 . . . . 51 LEU H . 15846 1 617 . 1 1 51 51 LEU HA H 1 4.517 . . 1 . . . . 51 LEU HA . 15846 1 618 . 1 1 51 51 LEU HB2 H 1 1.04 . . 2 . . . . 51 LEU HB2 . 15846 1 619 . 1 1 51 51 LEU HB3 H 1 1.646 . . 2 . . . . 51 LEU HB3 . 15846 1 620 . 1 1 51 51 LEU HD11 H 1 0.037 . . 1 . . . . 51 LEU HD1 . 15846 1 621 . 1 1 51 51 LEU HD12 H 1 0.037 . . 1 . . . . 51 LEU HD1 . 15846 1 622 . 1 1 51 51 LEU HD13 H 1 0.037 . . 1 . . . . 51 LEU HD1 . 15846 1 623 . 1 1 51 51 LEU HD21 H 1 0.325 . . 1 . . . . 51 LEU HD2 . 15846 1 624 . 1 1 51 51 LEU HD22 H 1 0.325 . . 1 . . . . 51 LEU HD2 . 15846 1 625 . 1 1 51 51 LEU HD23 H 1 0.325 . . 1 . . . . 51 LEU HD2 . 15846 1 626 . 1 1 51 51 LEU HG H 1 1.644 . . 1 . . . . 51 LEU HG . 15846 1 627 . 1 1 51 51 LEU C C 13 174.89 . . 1 . . . . 51 LEU C . 15846 1 628 . 1 1 51 51 LEU CA C 13 53.817 . . 1 . . . . 51 LEU CA . 15846 1 629 . 1 1 51 51 LEU CB C 13 45.254 . . 1 . . . . 51 LEU CB . 15846 1 630 . 1 1 51 51 LEU CD1 C 13 23.23 . . 1 . . . . 51 LEU CD1 . 15846 1 631 . 1 1 51 51 LEU CD2 C 13 26.1 . . 1 . . . . 51 LEU CD2 . 15846 1 632 . 1 1 51 51 LEU CG C 13 26.096 . . 1 . . . . 51 LEU CG . 15846 1 633 . 1 1 51 51 LEU N N 15 127.79 . . 1 . . . . 51 LEU N . 15846 1 634 . 1 1 52 52 GLU H H 1 8.36 . . 1 . . . . 52 GLU H . 15846 1 635 . 1 1 52 52 GLU HA H 1 5.417 . . 1 . . . . 52 GLU HA . 15846 1 636 . 1 1 52 52 GLU HB2 H 1 1.93 . . 2 . . . . 52 GLU HB2 . 15846 1 637 . 1 1 52 52 GLU HB3 H 1 2.04 . . 2 . . . . 52 GLU HB3 . 15846 1 638 . 1 1 52 52 GLU HG2 H 1 2.09 . . 2 . . . . 52 GLU HG2 . 15846 1 639 . 1 1 52 52 GLU HG3 H 1 2.185 . . 2 . . . . 52 GLU HG3 . 15846 1 640 . 1 1 52 52 GLU C C 13 174.89 . . 1 . . . . 52 GLU C . 15846 1 641 . 1 1 52 52 GLU CA C 13 54.519 . . 1 . . . . 52 GLU CA . 15846 1 642 . 1 1 52 52 GLU CB C 13 32.5 . . 1 . . . . 52 GLU CB . 15846 1 643 . 1 1 52 52 GLU CG C 13 36.508 . . 1 . . . . 52 GLU CG . 15846 1 644 . 1 1 52 52 GLU N N 15 121.18 . . 1 . . . . 52 GLU N . 15846 1 645 . 1 1 53 53 PHE H H 1 8.465 . . 1 . . . . 53 PHE H . 15846 1 646 . 1 1 53 53 PHE HA H 1 5.13 . . 1 . . . . 53 PHE HA . 15846 1 647 . 1 1 53 53 PHE HB2 H 1 3.22 . . 2 . . . . 53 PHE HB2 . 15846 1 648 . 1 1 53 53 PHE HB3 H 1 3.22 . . 2 . . . . 53 PHE HB3 . 15846 1 649 . 1 1 53 53 PHE HD1 H 1 6.48 . . 2 . . . . 53 PHE HD1 . 15846 1 650 . 1 1 53 53 PHE HD2 H 1 6.48 . . 2 . . . . 53 PHE HD2 . 15846 1 651 . 1 1 53 53 PHE HE1 H 1 6.128 . . 2 . . . . 53 PHE HE1 . 15846 1 652 . 1 1 53 53 PHE HE2 H 1 6.128 . . 2 . . . . 53 PHE HE2 . 15846 1 653 . 1 1 53 53 PHE HZ H 1 6.04 . . 1 . . . . 53 PHE HZ . 15846 1 654 . 1 1 53 53 PHE C C 13 172.66 . . 1 . . . . 53 PHE C . 15846 1 655 . 1 1 53 53 PHE CA C 13 56.508 . . 1 . . . . 53 PHE CA . 15846 1 656 . 1 1 53 53 PHE CB C 13 40.095 . . 1 . . . . 53 PHE CB . 15846 1 657 . 1 1 53 53 PHE CD1 C 13 131.3 . . 2 . . . . 53 PHE CD1 . 15846 1 658 . 1 1 53 53 PHE CD2 C 13 131.3 . . 2 . . . . 53 PHE CD2 . 15846 1 659 . 1 1 53 53 PHE CE1 C 13 128.9 . . 2 . . . . 53 PHE CE1 . 15846 1 660 . 1 1 53 53 PHE CE2 C 13 128.9 . . 2 . . . . 53 PHE CE2 . 15846 1 661 . 1 1 53 53 PHE CZ C 13 127.7 . . 1 . . . . 53 PHE CZ . 15846 1 662 . 1 1 53 53 PHE N N 15 118.94 . . 1 . . . . 53 PHE N . 15846 1 663 . 1 1 54 54 THR H H 1 8.622 . . 1 . . . . 54 THR H . 15846 1 664 . 1 1 54 54 THR HA H 1 5.53 . . 1 . . . . 54 THR HA . 15846 1 665 . 1 1 54 54 THR HB H 1 4.08 . . 1 . . . . 54 THR HB . 15846 1 666 . 1 1 54 54 THR HG21 H 1 1.14 . . 1 . . . . 54 THR HG2 . 15846 1 667 . 1 1 54 54 THR HG22 H 1 1.14 . . 1 . . . . 54 THR HG2 . 15846 1 668 . 1 1 54 54 THR HG23 H 1 1.14 . . 1 . . . . 54 THR HG2 . 15846 1 669 . 1 1 54 54 THR C C 13 173.47 . . 1 . . . . 54 THR C . 15846 1 670 . 1 1 54 54 THR CA C 13 60.148 . . 1 . . . . 54 THR CA . 15846 1 671 . 1 1 54 54 THR CB C 13 71.82 . . 1 . . . . 54 THR CB . 15846 1 672 . 1 1 54 54 THR CG2 C 13 22.404 . . 1 . . . . 54 THR CG2 . 15846 1 673 . 1 1 54 54 THR N N 15 112.28 . . 1 . . . . 54 THR N . 15846 1 674 . 1 1 55 55 ALA H H 1 9.71 . . 1 . . . . 55 ALA H . 15846 1 675 . 1 1 55 55 ALA HA H 1 5.354 . . 1 . . . . 55 ALA HA . 15846 1 676 . 1 1 55 55 ALA HB1 H 1 1.86 . . 1 . . . . 55 ALA HB . 15846 1 677 . 1 1 55 55 ALA HB2 H 1 1.86 . . 1 . . . . 55 ALA HB . 15846 1 678 . 1 1 55 55 ALA HB3 H 1 1.86 . . 1 . . . . 55 ALA HB . 15846 1 679 . 1 1 55 55 ALA C C 13 176.72 . . 1 . . . . 55 ALA C . 15846 1 680 . 1 1 55 55 ALA CA C 13 50.568 . . 1 . . . . 55 ALA CA . 15846 1 681 . 1 1 55 55 ALA CB C 13 24.18 . . 1 . . . . 55 ALA CB . 15846 1 682 . 1 1 55 55 ALA N N 15 126.34 . . 1 . . . . 55 ALA N . 15846 1 683 . 1 1 56 56 GLN H H 1 9.130 . . 1 . . . . 56 GLN H . 15846 1 684 . 1 1 56 56 GLN HA H 1 5.03 . . 1 . . . . 56 GLN HA . 15846 1 685 . 1 1 56 56 GLN HB2 H 1 2.46 . . 2 . . . . 56 GLN HB2 . 15846 1 686 . 1 1 56 56 GLN HB3 H 1 2.13 . . 2 . . . . 56 GLN HB3 . 15846 1 687 . 1 1 56 56 GLN HE21 H 1 6.865 . . 2 . . . . 56 GLN HE21 . 15846 1 688 . 1 1 56 56 GLN HE22 H 1 7.846 . . 2 . . . . 56 GLN HE22 . 15846 1 689 . 1 1 56 56 GLN HG2 H 1 2.59 . . 2 . . . . 56 GLN HG2 . 15846 1 690 . 1 1 56 56 GLN HG3 H 1 2.61 . . 2 . . . . 56 GLN HG3 . 15846 1 691 . 1 1 56 56 GLN C C 13 174.96 . . 1 . . . . 56 GLN C . 15846 1 692 . 1 1 56 56 GLN CA C 13 56.82 . . 1 . . . . 56 GLN CA . 15846 1 693 . 1 1 56 56 GLN CB C 13 29.18 . . 1 . . . . 56 GLN CB . 15846 1 694 . 1 1 56 56 GLN CG C 13 35.24 . . 1 . . . . 56 GLN CG . 15846 1 695 . 1 1 56 56 GLN N N 15 118.54 . . 1 . . . . 56 GLN N . 15846 1 696 . 1 1 56 56 GLN NE2 N 15 113.1 . . 1 . . . . 56 GLN NE2 . 15846 1 697 . 1 1 57 57 LYS H H 1 7.656 . . 1 . . . . 57 LYS H . 15846 1 698 . 1 1 57 57 LYS HA H 1 4.36 . . 1 . . . . 57 LYS HA . 15846 1 699 . 1 1 57 57 LYS HB2 H 1 1.76 . . 2 . . . . 57 LYS HB2 . 15846 1 700 . 1 1 57 57 LYS HB3 H 1 1.61 . . 2 . . . . 57 LYS HB3 . 15846 1 701 . 1 1 57 57 LYS HD2 H 1 1.35 . . 2 . . . . 57 LYS HD2 . 15846 1 702 . 1 1 57 57 LYS HD3 H 1 1.11 . . 2 . . . . 57 LYS HD3 . 15846 1 703 . 1 1 57 57 LYS HE2 H 1 2.985 . . 2 . . . . 57 LYS HE2 . 15846 1 704 . 1 1 57 57 LYS HE3 H 1 2.985 . . 2 . . . . 57 LYS HE3 . 15846 1 705 . 1 1 57 57 LYS HG2 H 1 1.35 . . 2 . . . . 57 LYS HG2 . 15846 1 706 . 1 1 57 57 LYS HG3 H 1 1.11 . . 2 . . . . 57 LYS HG3 . 15846 1 707 . 1 1 57 57 LYS C C 13 172.49 . . 1 . . . . 57 LYS C . 15846 1 708 . 1 1 57 57 LYS CA C 13 54.351 . . 1 . . . . 57 LYS CA . 15846 1 709 . 1 1 57 57 LYS CB C 13 35.360 . . 1 . . . . 57 LYS CB . 15846 1 710 . 1 1 57 57 LYS CD C 13 29.447 . . 1 . . . . 57 LYS CD . 15846 1 711 . 1 1 57 57 LYS CE C 13 42.232 . . 1 . . . . 57 LYS CE . 15846 1 712 . 1 1 57 57 LYS CG C 13 23.799 . . 1 . . . . 57 LYS CG . 15846 1 713 . 1 1 57 57 LYS N N 15 116.27 . . 1 . . . . 57 LYS N . 15846 1 714 . 1 1 58 58 ASN H H 1 7.709 . . 1 . . . . 58 ASN H . 15846 1 715 . 1 1 58 58 ASN HA H 1 4.00 . . 1 . . . . 58 ASN HA . 15846 1 716 . 1 1 58 58 ASN HB2 H 1 1.66 . . 2 . . . . 58 ASN HB2 . 15846 1 717 . 1 1 58 58 ASN HB3 H 1 2.38 . . 2 . . . . 58 ASN HB3 . 15846 1 718 . 1 1 58 58 ASN HD21 H 1 6.90 . . 2 . . . . 58 ASN HD21 . 15846 1 719 . 1 1 58 58 ASN HD22 H 1 6.976 . . 2 . . . . 58 ASN HD22 . 15846 1 720 . 1 1 58 58 ASN C C 13 175.49 . . 1 . . . . 58 ASN C . 15846 1 721 . 1 1 58 58 ASN CA C 13 53.498 . . 1 . . . . 58 ASN CA . 15846 1 722 . 1 1 58 58 ASN CB C 13 38.538 . . 1 . . . . 58 ASN CB . 15846 1 723 . 1 1 58 58 ASN N N 15 117.96 . . 1 . . . . 58 ASN N . 15846 1 724 . 1 1 58 58 ASN ND2 N 15 112.3 . . 1 . . . . 58 ASN ND2 . 15846 1 725 . 1 1 59 59 LEU H H 1 7.94 . . 1 . . . . 59 LEU H . 15846 1 726 . 1 1 59 59 LEU HA H 1 3.95 . . 1 . . . . 59 LEU HA . 15846 1 727 . 1 1 59 59 LEU HB2 H 1 1.38 . . 2 . . . . 59 LEU HB2 . 15846 1 728 . 1 1 59 59 LEU HB3 H 1 0.95 . . 2 . . . . 59 LEU HB3 . 15846 1 729 . 1 1 59 59 LEU HD11 H 1 -0.117 . . 1 . . . . 59 LEU HD1 . 15846 1 730 . 1 1 59 59 LEU HD12 H 1 -0.117 . . 1 . . . . 59 LEU HD1 . 15846 1 731 . 1 1 59 59 LEU HD13 H 1 -0.117 . . 1 . . . . 59 LEU HD1 . 15846 1 732 . 1 1 59 59 LEU HD21 H 1 0.636 . . 1 . . . . 59 LEU HD2 . 15846 1 733 . 1 1 59 59 LEU HD22 H 1 0.636 . . 1 . . . . 59 LEU HD2 . 15846 1 734 . 1 1 59 59 LEU HD23 H 1 0.636 . . 1 . . . . 59 LEU HD2 . 15846 1 735 . 1 1 59 59 LEU HG H 1 1.41 . . 1 . . . . 59 LEU HG . 15846 1 736 . 1 1 59 59 LEU C C 13 176.41 . . 1 . . . . 59 LEU C . 15846 1 737 . 1 1 59 59 LEU CA C 13 54.55 . . 1 . . . . 59 LEU CA . 15846 1 738 . 1 1 59 59 LEU CB C 13 42.370 . . 1 . . . . 59 LEU CB . 15846 1 739 . 1 1 59 59 LEU CD1 C 13 25.70 . . 1 . . . . 59 LEU CD1 . 15846 1 740 . 1 1 59 59 LEU CD2 C 13 22.579 . . 1 . . . . 59 LEU CD2 . 15846 1 741 . 1 1 59 59 LEU CG C 13 26.42 . . 1 . . . . 59 LEU CG . 15846 1 742 . 1 1 59 59 LEU N N 15 128.19 . . 1 . . . . 59 LEU N . 15846 1 743 . 1 1 60 60 ARG H H 1 8.355 . . 1 . . . . 60 ARG H . 15846 1 744 . 1 1 60 60 ARG HA H 1 3.87 . . 1 . . . . 60 ARG HA . 15846 1 745 . 1 1 60 60 ARG HB2 H 1 1.65 . . 2 . . . . 60 ARG HB2 . 15846 1 746 . 1 1 60 60 ARG HB3 H 1 1.65 . . 2 . . . . 60 ARG HB3 . 15846 1 747 . 1 1 60 60 ARG HD2 H 1 3.098 . . 2 . . . . 60 ARG HD2 . 15846 1 748 . 1 1 60 60 ARG HD3 H 1 3.328 . . 2 . . . . 60 ARG HD3 . 15846 1 749 . 1 1 60 60 ARG HE H 1 7.672 . . 1 . . . . 60 ARG HE . 15846 1 750 . 1 1 60 60 ARG HG2 H 1 1.63 . . 2 . . . . 60 ARG HG2 . 15846 1 751 . 1 1 60 60 ARG HG3 H 1 1.52 . . 2 . . . . 60 ARG HG3 . 15846 1 752 . 1 1 60 60 ARG C C 13 175.35 . . 1 . . . . 60 ARG C . 15846 1 753 . 1 1 60 60 ARG CA C 13 56.695 . . 1 . . . . 60 ARG CA . 15846 1 754 . 1 1 60 60 ARG CB C 13 31.29 . . 1 . . . . 60 ARG CB . 15846 1 755 . 1 1 60 60 ARG CD C 13 43.376 . . 1 . . . . 60 ARG CD . 15846 1 756 . 1 1 60 60 ARG CG C 13 27.35 . . 1 . . . . 60 ARG CG . 15846 1 757 . 1 1 60 60 ARG N N 15 123.759 . . 1 . . . . 60 ARG N . 15846 1 758 . 1 1 60 60 ARG NE N 15 84.46 . . 1 . . . . 60 ARG NE . 15846 1 759 . 1 1 61 61 LYS H H 1 8.178 . . 1 . . . . 61 LYS H . 15846 1 760 . 1 1 61 61 LYS HA H 1 3.68 . . 1 . . . . 61 LYS HA . 15846 1 761 . 1 1 61 61 LYS HB2 H 1 1.65 . . 2 . . . . 61 LYS HB2 . 15846 1 762 . 1 1 61 61 LYS HB3 H 1 1.65 . . 2 . . . . 61 LYS HB3 . 15846 1 763 . 1 1 61 61 LYS HD2 H 1 1.48 . . 2 . . . . 61 LYS HD2 . 15846 1 764 . 1 1 61 61 LYS HD3 H 1 1.34 . . 2 . . . . 61 LYS HD3 . 15846 1 765 . 1 1 61 61 LYS HE2 H 1 2.91 . . 2 . . . . 61 LYS HE2 . 15846 1 766 . 1 1 61 61 LYS HE3 H 1 3.02 . . 2 . . . . 61 LYS HE3 . 15846 1 767 . 1 1 61 61 LYS HG2 H 1 1.45 . . 2 . . . . 61 LYS HG2 . 15846 1 768 . 1 1 61 61 LYS HG3 H 1 1.12 . . 2 . . . . 61 LYS HG3 . 15846 1 769 . 1 1 61 61 LYS C C 13 177.29 . . 1 . . . . 61 LYS C . 15846 1 770 . 1 1 61 61 LYS CA C 13 58.733 . . 1 . . . . 61 LYS CA . 15846 1 771 . 1 1 61 61 LYS CB C 13 31.564 . . 1 . . . . 61 LYS CB . 15846 1 772 . 1 1 61 61 LYS CD C 13 28.726 . . 1 . . . . 61 LYS CD . 15846 1 773 . 1 1 61 61 LYS CE C 13 41.206 . . 1 . . . . 61 LYS CE . 15846 1 774 . 1 1 61 61 LYS CG C 13 26.187 . . 1 . . . . 61 LYS CG . 15846 1 775 . 1 1 61 61 LYS N N 15 125.60 . . 1 . . . . 61 LYS N . 15846 1 776 . 1 1 62 62 GLU H H 1 8.949 . . 1 . . . . 62 GLU H . 15846 1 777 . 1 1 62 62 GLU HA H 1 3.34 . . 1 . . . . 62 GLU HA . 15846 1 778 . 1 1 62 62 GLU HB2 H 1 2.45 . . 2 . . . . 62 GLU HB2 . 15846 1 779 . 1 1 62 62 GLU HB3 H 1 1.99 . . 2 . . . . 62 GLU HB3 . 15846 1 780 . 1 1 62 62 GLU HG2 H 1 2.02 . . 2 . . . . 62 GLU HG2 . 15846 1 781 . 1 1 62 62 GLU HG3 H 1 2.12 . . 2 . . . . 62 GLU HG3 . 15846 1 782 . 1 1 62 62 GLU C C 13 176.17 . . 1 . . . . 62 GLU C . 15846 1 783 . 1 1 62 62 GLU CA C 13 59.156 . . 1 . . . . 62 GLU CA . 15846 1 784 . 1 1 62 62 GLU CB C 13 28.04 . . 1 . . . . 62 GLU CB . 15846 1 785 . 1 1 62 62 GLU CG C 13 37.301 . . 1 . . . . 62 GLU CG . 15846 1 786 . 1 1 62 62 GLU N N 15 112.86 . . 1 . . . . 62 GLU N . 15846 1 787 . 1 1 63 63 ALA H H 1 7.604 . . 1 . . . . 63 ALA H . 15846 1 788 . 1 1 63 63 ALA HA H 1 4.02 . . 1 . . . . 63 ALA HA . 15846 1 789 . 1 1 63 63 ALA HB1 H 1 1.23 . . 1 . . . . 63 ALA HB . 15846 1 790 . 1 1 63 63 ALA HB2 H 1 1.23 . . 1 . . . . 63 ALA HB . 15846 1 791 . 1 1 63 63 ALA HB3 H 1 1.23 . . 1 . . . . 63 ALA HB . 15846 1 792 . 1 1 63 63 ALA C C 13 175.53 . . 1 . . . . 63 ALA C . 15846 1 793 . 1 1 63 63 ALA CA C 13 53.074 . . 1 . . . . 63 ALA CA . 15846 1 794 . 1 1 63 63 ALA CB C 13 19.323 . . 1 . . . . 63 ALA CB . 15846 1 795 . 1 1 63 63 ALA N N 15 122.70 . . 1 . . . . 63 ALA N . 15846 1 796 . 1 1 64 64 PHE H H 1 8.876 . . 1 . . . . 64 PHE H . 15846 1 797 . 1 1 64 64 PHE HA H 1 5.47 . . 1 . . . . 64 PHE HA . 15846 1 798 . 1 1 64 64 PHE HB2 H 1 3.18 . . 2 . . . . 64 PHE HB2 . 15846 1 799 . 1 1 64 64 PHE HB3 H 1 2.74 . . 2 . . . . 64 PHE HB3 . 15846 1 800 . 1 1 64 64 PHE HD1 H 1 7.15 . . 2 . . . . 64 PHE HD1 . 15846 1 801 . 1 1 64 64 PHE HD2 H 1 7.15 . . 2 . . . . 64 PHE HD2 . 15846 1 802 . 1 1 64 64 PHE C C 13 175.48 . . 1 . . . . 64 PHE C . 15846 1 803 . 1 1 64 64 PHE CA C 13 56.78 . . 1 . . . . 64 PHE CA . 15846 1 804 . 1 1 64 64 PHE CB C 13 41.566 . . 1 . . . . 64 PHE CB . 15846 1 805 . 1 1 64 64 PHE CD1 C 13 131.1 . . 2 . . . . 64 PHE CD1 . 15846 1 806 . 1 1 64 64 PHE CD2 C 13 131.1 . . 2 . . . . 64 PHE CD2 . 15846 1 807 . 1 1 64 64 PHE N N 15 118.67 . . 1 . . . . 64 PHE N . 15846 1 808 . 1 1 65 65 LEU H H 1 8.87 . . 1 . . . . 65 LEU H . 15846 1 809 . 1 1 65 65 LEU HA H 1 5.39 . . 1 . . . . 65 LEU HA . 15846 1 810 . 1 1 65 65 LEU HB2 H 1 1.22 . . 2 . . . . 65 LEU HB2 . 15846 1 811 . 1 1 65 65 LEU HB3 H 1 1.22 . . 2 . . . . 65 LEU HB3 . 15846 1 812 . 1 1 65 65 LEU HD11 H 1 0.14 . . 1 . . . . 65 LEU HD1 . 15846 1 813 . 1 1 65 65 LEU HD12 H 1 0.14 . . 1 . . . . 65 LEU HD1 . 15846 1 814 . 1 1 65 65 LEU HD13 H 1 0.14 . . 1 . . . . 65 LEU HD1 . 15846 1 815 . 1 1 65 65 LEU HD21 H 1 0.52 . . 1 . . . . 65 LEU HD2 . 15846 1 816 . 1 1 65 65 LEU HD22 H 1 0.52 . . 1 . . . . 65 LEU HD2 . 15846 1 817 . 1 1 65 65 LEU HD23 H 1 0.52 . . 1 . . . . 65 LEU HD2 . 15846 1 818 . 1 1 65 65 LEU HG H 1 1.25 . . 2 . . . . 65 LEU HG . 15846 1 819 . 1 1 65 65 LEU C C 13 176.03 . . 1 . . . . 65 LEU C . 15846 1 820 . 1 1 65 65 LEU CA C 13 52.926 . . 1 . . . . 65 LEU CA . 15846 1 821 . 1 1 65 65 LEU CB C 13 45.561 . . 1 . . . . 65 LEU CB . 15846 1 822 . 1 1 65 65 LEU CD1 C 13 25.486 . . 1 . . . . 65 LEU CD1 . 15846 1 823 . 1 1 65 65 LEU CD2 C 13 23.66 . . 1 . . . . 65 LEU CD2 . 15846 1 824 . 1 1 65 65 LEU CG C 13 27.796 . . 1 . . . . 65 LEU CG . 15846 1 825 . 1 1 65 65 LEU N N 15 118.7 . . 1 . . . . 65 LEU N . 15846 1 826 . 1 1 66 66 ARG H H 1 9.031 . . 1 . . . . 66 ARG H . 15846 1 827 . 1 1 66 66 ARG HA H 1 4.345 . . 1 . . . . 66 ARG HA . 15846 1 828 . 1 1 66 66 ARG HB2 H 1 1.397 . . 2 . . . . 66 ARG HB2 . 15846 1 829 . 1 1 66 66 ARG HB3 H 1 1.58 . . 2 . . . . 66 ARG HB3 . 15846 1 830 . 1 1 66 66 ARG HD2 H 1 3.048 . . 2 . . . . 66 ARG HD2 . 15846 1 831 . 1 1 66 66 ARG HD3 H 1 2.803 . . 2 . . . . 66 ARG HD3 . 15846 1 832 . 1 1 66 66 ARG HE H 1 6.643 . . 1 . . . . 66 ARG HE . 15846 1 833 . 1 1 66 66 ARG HG2 H 1 0.39 . . 2 . . . . 66 ARG HG2 . 15846 1 834 . 1 1 66 66 ARG HG3 H 1 0.39 . . 2 . . . . 66 ARG HG3 . 15846 1 835 . 1 1 66 66 ARG C C 13 174.22 . . 1 . . . . 66 ARG C . 15846 1 836 . 1 1 66 66 ARG CA C 13 54.957 . . 1 . . . . 66 ARG CA . 15846 1 837 . 1 1 66 66 ARG CB C 13 32.885 . . 1 . . . . 66 ARG CB . 15846 1 838 . 1 1 66 66 ARG CD C 13 43.407 . . 1 . . . . 66 ARG CD . 15846 1 839 . 1 1 66 66 ARG CG C 13 27.887 . . 1 . . . . 66 ARG CG . 15846 1 840 . 1 1 66 66 ARG N N 15 121.59 . . 1 . . . . 66 ARG N . 15846 1 841 . 1 1 66 66 ARG NE N 15 83.35 . . 1 . . . . 66 ARG NE . 15846 1 842 . 1 1 67 67 VAL H H 1 9.359 . . 1 . . . . 67 VAL H . 15846 1 843 . 1 1 67 67 VAL HA H 1 4.40 . . 1 . . . . 67 VAL HA . 15846 1 844 . 1 1 67 67 VAL HB H 1 1.69 . . 1 . . . . 67 VAL HB . 15846 1 845 . 1 1 67 67 VAL HG11 H 1 0.74 . . 1 . . . . 67 VAL HG1 . 15846 1 846 . 1 1 67 67 VAL HG12 H 1 0.74 . . 1 . . . . 67 VAL HG1 . 15846 1 847 . 1 1 67 67 VAL HG13 H 1 0.74 . . 1 . . . . 67 VAL HG1 . 15846 1 848 . 1 1 67 67 VAL HG21 H 1 0.42 . . 1 . . . . 67 VAL HG2 . 15846 1 849 . 1 1 67 67 VAL HG22 H 1 0.42 . . 1 . . . . 67 VAL HG2 . 15846 1 850 . 1 1 67 67 VAL HG23 H 1 0.42 . . 1 . . . . 67 VAL HG2 . 15846 1 851 . 1 1 67 67 VAL C C 13 174.07 . . 1 . . . . 67 VAL C . 15846 1 852 . 1 1 67 67 VAL CA C 13 60.91 . . 1 . . . . 67 VAL CA . 15846 1 853 . 1 1 67 67 VAL CB C 13 33.96 . . 1 . . . . 67 VAL CB . 15846 1 854 . 1 1 67 67 VAL CG1 C 13 23.795 . . 1 . . . . 67 VAL CG1 . 15846 1 855 . 1 1 67 67 VAL CG2 C 13 21.37 . . 1 . . . . 67 VAL CG2 . 15846 1 856 . 1 1 67 67 VAL N N 15 126.23 . . 1 . . . . 67 VAL N . 15846 1 857 . 1 1 68 68 TYR H H 1 8.71 . . 1 . . . . 68 TYR H . 15846 1 858 . 1 1 68 68 TYR HA H 1 5.07 . . 1 . . . . 68 TYR HA . 15846 1 859 . 1 1 68 68 TYR HB2 H 1 2.68 . . 2 . . . . 68 TYR HB2 . 15846 1 860 . 1 1 68 68 TYR HB3 H 1 2.86 . . 2 . . . . 68 TYR HB3 . 15846 1 861 . 1 1 68 68 TYR HD1 H 1 6.844 . . 2 . . . . 68 TYR HD1 . 15846 1 862 . 1 1 68 68 TYR HD2 H 1 6.844 . . 2 . . . . 68 TYR HD2 . 15846 1 863 . 1 1 68 68 TYR HE1 H 1 6.57 . . 2 . . . . 68 TYR HE1 . 15846 1 864 . 1 1 68 68 TYR HE2 H 1 6.57 . . 2 . . . . 68 TYR HE2 . 15846 1 865 . 1 1 68 68 TYR C C 13 175.39 . . 1 . . . . 68 TYR C . 15846 1 866 . 1 1 68 68 TYR CA C 13 57.29 . . 1 . . . . 68 TYR CA . 15846 1 867 . 1 1 68 68 TYR CB C 13 38.69 . . 1 . . . . 68 TYR CB . 15846 1 868 . 1 1 68 68 TYR CD1 C 13 132.9 . . 2 . . . . 68 TYR CD1 . 15846 1 869 . 1 1 68 68 TYR CD2 C 13 132.9 . . 2 . . . . 68 TYR CD2 . 15846 1 870 . 1 1 68 68 TYR CE1 C 13 117.66 . . 2 . . . . 68 TYR CE1 . 15846 1 871 . 1 1 68 68 TYR CE2 C 13 117.66 . . 2 . . . . 68 TYR CE2 . 15846 1 872 . 1 1 68 68 TYR N N 15 125.2 . . 1 . . . . 68 TYR N . 15846 1 873 . 1 1 69 69 HIS H H 1 9.224 . . 1 . . . . 69 HIS H . 15846 1 874 . 1 1 69 69 HIS HA H 1 5.20 . . 1 . . . . 69 HIS HA . 15846 1 875 . 1 1 69 69 HIS HB2 H 1 2.92 . . 2 . . . . 69 HIS HB2 . 15846 1 876 . 1 1 69 69 HIS HB3 H 1 2.80 . . 2 . . . . 69 HIS HB3 . 15846 1 877 . 1 1 69 69 HIS HD2 H 1 6.841 . . 1 . . . . 69 HIS HD2 . 15846 1 878 . 1 1 69 69 HIS HE1 H 1 7.80 . . 1 . . . . 69 HIS HE1 . 15846 1 879 . 1 1 69 69 HIS C C 13 173.60 . . 1 . . . . 69 HIS C . 15846 1 880 . 1 1 69 69 HIS CA C 13 56.502 . . 1 . . . . 69 HIS CA . 15846 1 881 . 1 1 69 69 HIS CB C 13 35.873 . . 1 . . . . 69 HIS CB . 15846 1 882 . 1 1 69 69 HIS CD2 C 13 118.7 . . 1 . . . . 69 HIS CD2 . 15846 1 883 . 1 1 69 69 HIS CE1 C 13 138.4 . . 1 . . . . 69 HIS CE1 . 15846 1 884 . 1 1 69 69 HIS N N 15 124.78 . . 1 . . . . 69 HIS N . 15846 1 885 . 1 1 70 70 SER H H 1 7.425 . . 1 . . . . 70 SER H . 15846 1 886 . 1 1 70 70 SER HA H 1 4.80 . . 1 . . . . 70 SER HA . 15846 1 887 . 1 1 70 70 SER HB2 H 1 3.83 . . 2 . . . . 70 SER HB2 . 15846 1 888 . 1 1 70 70 SER HB3 H 1 4.03 . . 2 . . . . 70 SER HB3 . 15846 1 889 . 1 1 70 70 SER C C 13 173.79 . . 1 . . . . 70 SER C . 15846 1 890 . 1 1 70 70 SER CA C 13 56.84 . . 1 . . . . 70 SER CA . 15846 1 891 . 1 1 70 70 SER CB C 13 66.5 . . 1 . . . . 70 SER CB . 15846 1 892 . 1 1 70 70 SER N N 15 118.91 . . 1 . . . . 70 SER N . 15846 1 893 . 1 1 71 71 ASP H H 1 9.02 . . 1 . . . . 71 ASP H . 15846 1 894 . 1 1 71 71 ASP HA H 1 4.39 . . 1 . . . . 71 ASP HA . 15846 1 895 . 1 1 71 71 ASP HB2 H 1 2.68 . . 2 . . . . 71 ASP HB2 . 15846 1 896 . 1 1 71 71 ASP HB3 H 1 2.707 . . 2 . . . . 71 ASP HB3 . 15846 1 897 . 1 1 71 71 ASP C C 13 178.03 . . 1 . . . . 71 ASP C . 15846 1 898 . 1 1 71 71 ASP CA C 13 57.22 . . 1 . . . . 71 ASP CA . 15846 1 899 . 1 1 71 71 ASP CB C 13 40.622 . . 1 . . . . 71 ASP CB . 15846 1 900 . 1 1 71 71 ASP N N 15 123.34 . . 1 . . . . 71 ASP N . 15846 1 901 . 1 1 72 72 LYS H H 1 8.22 . . 1 . . . . 72 LYS H . 15846 1 902 . 1 1 72 72 LYS HA H 1 4.123 . . 1 . . . . 72 LYS HA . 15846 1 903 . 1 1 72 72 LYS HB2 H 1 1.83 . . 2 . . . . 72 LYS HB2 . 15846 1 904 . 1 1 72 72 LYS HB3 H 1 1.80 . . 2 . . . . 72 LYS HB3 . 15846 1 905 . 1 1 72 72 LYS HD2 H 1 1.70 . . 2 . . . . 72 LYS HD2 . 15846 1 906 . 1 1 72 72 LYS HD3 H 1 1.70 . . 2 . . . . 72 LYS HD3 . 15846 1 907 . 1 1 72 72 LYS HE2 H 1 2.54 . . 2 . . . . 72 LYS HE2 . 15846 1 908 . 1 1 72 72 LYS HE3 H 1 2.54 . . 2 . . . . 72 LYS HE3 . 15846 1 909 . 1 1 72 72 LYS HG2 H 1 1.46 . . 2 . . . . 72 LYS HG2 . 15846 1 910 . 1 1 72 72 LYS HG3 H 1 1.46 . . 2 . . . . 72 LYS HG3 . 15846 1 911 . 1 1 72 72 LYS C C 13 177.56 . . 1 . . . . 72 LYS C . 15846 1 912 . 1 1 72 72 LYS CA C 13 58.383 . . 1 . . . . 72 LYS CA . 15846 1 913 . 1 1 72 72 LYS CB C 13 32.778 . . 1 . . . . 72 LYS CB . 15846 1 914 . 1 1 72 72 LYS CD C 13 28.885 . . 1 . . . . 72 LYS CD . 15846 1 915 . 1 1 72 72 LYS CE C 13 42.075 . . 1 . . . . 72 LYS CE . 15846 1 916 . 1 1 72 72 LYS CG C 13 25.151 . . 1 . . . . 72 LYS CG . 15846 1 917 . 1 1 72 72 LYS N N 15 116.64 . . 1 . . . . 72 LYS N . 15846 1 918 . 1 1 73 73 LYS H H 1 7.367 . . 1 . . . . 73 LYS H . 15846 1 919 . 1 1 73 73 LYS HA H 1 4.449 . . 1 . . . . 73 LYS HA . 15846 1 920 . 1 1 73 73 LYS HB2 H 1 1.84 . . 2 . . . . 73 LYS HB2 . 15846 1 921 . 1 1 73 73 LYS HB3 H 1 1.567 . . 2 . . . . 73 LYS HB3 . 15846 1 922 . 1 1 73 73 LYS HD2 H 1 1.27 . . 2 . . . . 73 LYS HD2 . 15846 1 923 . 1 1 73 73 LYS HD3 H 1 1.34 . . 2 . . . . 73 LYS HD3 . 15846 1 924 . 1 1 73 73 LYS HE2 H 1 2.92 . . 2 . . . . 73 LYS HE2 . 15846 1 925 . 1 1 73 73 LYS HE3 H 1 2.92 . . 2 . . . . 73 LYS HE3 . 15846 1 926 . 1 1 73 73 LYS HG2 H 1 1.27 . . 2 . . . . 73 LYS HG2 . 15846 1 927 . 1 1 73 73 LYS HG3 H 1 1.34 . . 2 . . . . 73 LYS HG3 . 15846 1 928 . 1 1 73 73 LYS C C 13 176.75 . . 1 . . . . 73 LYS C . 15846 1 929 . 1 1 73 73 LYS CA C 13 55.614 . . 1 . . . . 73 LYS CA . 15846 1 930 . 1 1 73 73 LYS CB C 13 33.91 . . 1 . . . . 73 LYS CB . 15846 1 931 . 1 1 73 73 LYS CD C 13 28.617 . . 1 . . . . 73 LYS CD . 15846 1 932 . 1 1 73 73 LYS CE C 13 42.070 . . 1 . . . . 73 LYS CE . 15846 1 933 . 1 1 73 73 LYS CG C 13 25.142 . . 1 . . . . 73 LYS CG . 15846 1 934 . 1 1 73 73 LYS N N 15 115.78 . . 1 . . . . 73 LYS N . 15846 1 935 . 1 1 74 74 GLY H H 1 8.24 . . 1 . . . . 74 GLY H . 15846 1 936 . 1 1 74 74 GLY HA2 H 1 3.63 . . 2 . . . . 74 GLY HA2 . 15846 1 937 . 1 1 74 74 GLY HA3 H 1 4.24 . . 2 . . . . 74 GLY HA3 . 15846 1 938 . 1 1 74 74 GLY C C 13 174.817 . . 1 . . . . 74 GLY C . 15846 1 939 . 1 1 74 74 GLY CA C 13 45.075 . . 1 . . . . 74 GLY CA . 15846 1 940 . 1 1 74 74 GLY N N 15 110.37 . . 1 . . . . 74 GLY N . 15846 1 941 . 1 1 75 75 VAL H H 1 9.14 . . 1 . . . . 75 VAL H . 15846 1 942 . 1 1 75 75 VAL HA H 1 4.64 . . 1 . . . . 75 VAL HA . 15846 1 943 . 1 1 75 75 VAL HB H 1 2.39 . . 1 . . . . 75 VAL HB . 15846 1 944 . 1 1 75 75 VAL HG11 H 1 1.06 . . 1 . . . . 75 VAL HG1 . 15846 1 945 . 1 1 75 75 VAL HG12 H 1 1.06 . . 1 . . . . 75 VAL HG1 . 15846 1 946 . 1 1 75 75 VAL HG13 H 1 1.06 . . 1 . . . . 75 VAL HG1 . 15846 1 947 . 1 1 75 75 VAL HG21 H 1 1.19 . . 1 . . . . 75 VAL HG2 . 15846 1 948 . 1 1 75 75 VAL HG22 H 1 1.19 . . 1 . . . . 75 VAL HG2 . 15846 1 949 . 1 1 75 75 VAL HG23 H 1 1.19 . . 1 . . . . 75 VAL HG2 . 15846 1 950 . 1 1 75 75 VAL C C 13 177.00 . . 1 . . . . 75 VAL C . 15846 1 951 . 1 1 75 75 VAL CA C 13 63.55 . . 1 . . . . 75 VAL CA . 15846 1 952 . 1 1 75 75 VAL CB C 13 32.237 . . 1 . . . . 75 VAL CB . 15846 1 953 . 1 1 75 75 VAL CG1 C 13 21.88 . . 1 . . . . 75 VAL CG1 . 15846 1 954 . 1 1 75 75 VAL CG2 C 13 24.3 . . 1 . . . . 75 VAL CG2 . 15846 1 955 . 1 1 75 75 VAL N N 15 124.3 . . 1 . . . . 75 VAL N . 15846 1 956 . 1 1 76 76 SER H H 1 9.02 . . 1 . . . . 76 SER H . 15846 1 957 . 1 1 76 76 SER HA H 1 4.64 . . 1 . . . . 76 SER HA . 15846 1 958 . 1 1 76 76 SER HB2 H 1 3.96 . . 2 . . . . 76 SER HB2 . 15846 1 959 . 1 1 76 76 SER HB3 H 1 3.67 . . 2 . . . . 76 SER HB3 . 15846 1 960 . 1 1 76 76 SER C C 13 174.25 . . 1 . . . . 76 SER C . 15846 1 961 . 1 1 76 76 SER CA C 13 58.44 . . 1 . . . . 76 SER CA . 15846 1 962 . 1 1 76 76 SER CB C 13 64.55 . . 1 . . . . 76 SER CB . 15846 1 963 . 1 1 76 76 SER N N 15 122.49 . . 1 . . . . 76 SER N . 15846 1 964 . 1 1 77 77 ALA H H 1 7.89 . . 1 . . . . 77 ALA H . 15846 1 965 . 1 1 77 77 ALA HA H 1 4.42 . . 1 . . . . 77 ALA HA . 15846 1 966 . 1 1 77 77 ALA HB1 H 1 1.175 . . 1 . . . . 77 ALA HB . 15846 1 967 . 1 1 77 77 ALA HB2 H 1 1.175 . . 1 . . . . 77 ALA HB . 15846 1 968 . 1 1 77 77 ALA HB3 H 1 1.175 . . 1 . . . . 77 ALA HB . 15846 1 969 . 1 1 77 77 ALA C C 13 174.43 . . 1 . . . . 77 ALA C . 15846 1 970 . 1 1 77 77 ALA CA C 13 51.94 . . 1 . . . . 77 ALA CA . 15846 1 971 . 1 1 77 77 ALA CB C 13 22.234 . . 1 . . . . 77 ALA CB . 15846 1 972 . 1 1 77 77 ALA N N 15 122.93 . . 1 . . . . 77 ALA N . 15846 1 973 . 1 1 78 78 TRP H H 1 7.776 . . 1 . . . . 78 TRP H . 15846 1 974 . 1 1 78 78 TRP HA H 1 5.69 . . 1 . . . . 78 TRP HA . 15846 1 975 . 1 1 78 78 TRP HB2 H 1 2.92 . . 2 . . . . 78 TRP HB2 . 15846 1 976 . 1 1 78 78 TRP HB3 H 1 3.11 . . 2 . . . . 78 TRP HB3 . 15846 1 977 . 1 1 78 78 TRP HD1 H 1 6.75 . . 1 . . . . 78 TRP HD1 . 15846 1 978 . 1 1 78 78 TRP HE1 H 1 10.08 . . 1 . . . . 78 TRP HE1 . 15846 1 979 . 1 1 78 78 TRP HE3 H 1 6.927 . . 1 . . . . 78 TRP HE3 . 15846 1 980 . 1 1 78 78 TRP HH2 H 1 7.294 . . 1 . . . . 78 TRP HH2 . 15846 1 981 . 1 1 78 78 TRP HZ2 H 1 7.694 . . 1 . . . . 78 TRP HZ2 . 15846 1 982 . 1 1 78 78 TRP C C 13 174.45 . . 1 . . . . 78 TRP C . 15846 1 983 . 1 1 78 78 TRP CA C 13 55.899 . . 1 . . . . 78 TRP CA . 15846 1 984 . 1 1 78 78 TRP CB C 13 32.602 . . 1 . . . . 78 TRP CB . 15846 1 985 . 1 1 78 78 TRP CD1 C 13 126.2 . . 1 . . . . 78 TRP CD1 . 15846 1 986 . 1 1 78 78 TRP CE3 C 13 120.7 . . 1 . . . . 78 TRP CE3 . 15846 1 987 . 1 1 78 78 TRP CH2 C 13 124.3 . . 1 . . . . 78 TRP CH2 . 15846 1 988 . 1 1 78 78 TRP CZ2 C 13 113.825 . . 1 . . . . 78 TRP CZ2 . 15846 1 989 . 1 1 78 78 TRP N N 15 114.705 . . 1 . . . . 78 TRP N . 15846 1 990 . 1 1 78 78 TRP NE1 N 15 128.1 . . 1 . . . . 78 TRP NE1 . 15846 1 991 . 1 1 79 79 GLU H H 1 9.21 . . 1 . . . . 79 GLU H . 15846 1 992 . 1 1 79 79 GLU HA H 1 4.73 . . 1 . . . . 79 GLU HA . 15846 1 993 . 1 1 79 79 GLU HB2 H 1 2.28 . . 2 . . . . 79 GLU HB2 . 15846 1 994 . 1 1 79 79 GLU HB3 H 1 2.04 . . 2 . . . . 79 GLU HB3 . 15846 1 995 . 1 1 79 79 GLU HG2 H 1 2.26 . . 2 . . . . 79 GLU HG2 . 15846 1 996 . 1 1 79 79 GLU HG3 H 1 2.36 . . 2 . . . . 79 GLU HG3 . 15846 1 997 . 1 1 79 79 GLU C C 13 174.13 . . 1 . . . . 79 GLU C . 15846 1 998 . 1 1 79 79 GLU CA C 13 54.939 . . 1 . . . . 79 GLU CA . 15846 1 999 . 1 1 79 79 GLU CB C 13 31.656 . . 1 . . . . 79 GLU CB . 15846 1 1000 . 1 1 79 79 GLU CG C 13 34.15 . . 1 . . . . 79 GLU CG . 15846 1 1001 . 1 1 79 79 GLU N N 15 114.86 . . 1 . . . . 79 GLU N . 15846 1 1002 . 1 1 80 80 GLU H H 1 9.12 . . 1 . . . . 80 GLU H . 15846 1 1003 . 1 1 80 80 GLU HA H 1 5.03 . . 1 . . . . 80 GLU HA . 15846 1 1004 . 1 1 80 80 GLU HB2 H 1 1.99 . . 2 . . . . 80 GLU HB2 . 15846 1 1005 . 1 1 80 80 GLU HB3 H 1 2.047 . . 2 . . . . 80 GLU HB3 . 15846 1 1006 . 1 1 80 80 GLU HG2 H 1 2.33 . . 2 . . . . 80 GLU HG2 . 15846 1 1007 . 1 1 80 80 GLU HG3 H 1 2.84 . . 2 . . . . 80 GLU HG3 . 15846 1 1008 . 1 1 80 80 GLU C C 13 176.58 . . 1 . . . . 80 GLU C . 15846 1 1009 . 1 1 80 80 GLU CA C 13 57.193 . . 1 . . . . 80 GLU CA . 15846 1 1010 . 1 1 80 80 GLU CB C 13 29.856 . . 1 . . . . 80 GLU CB . 15846 1 1011 . 1 1 80 80 GLU CG C 13 36.918 . . 1 . . . . 80 GLU CG . 15846 1 1012 . 1 1 80 80 GLU N N 15 123.96 . . 1 . . . . 80 GLU N . 15846 1 1013 . 1 1 81 81 VAL H H 1 8.694 . . 1 . . . . 81 VAL H . 15846 1 1014 . 1 1 81 81 VAL HA H 1 4.78 . . 1 . . . . 81 VAL HA . 15846 1 1015 . 1 1 81 81 VAL HB H 1 2.25 . . 1 . . . . 81 VAL HB . 15846 1 1016 . 1 1 81 81 VAL HG11 H 1 0.99 . . 1 . . . . 81 VAL HG1 . 15846 1 1017 . 1 1 81 81 VAL HG12 H 1 0.99 . . 1 . . . . 81 VAL HG1 . 15846 1 1018 . 1 1 81 81 VAL HG13 H 1 0.99 . . 1 . . . . 81 VAL HG1 . 15846 1 1019 . 1 1 81 81 VAL HG21 H 1 0.73 . . 1 . . . . 81 VAL HG2 . 15846 1 1020 . 1 1 81 81 VAL HG22 H 1 0.73 . . 1 . . . . 81 VAL HG2 . 15846 1 1021 . 1 1 81 81 VAL HG23 H 1 0.73 . . 1 . . . . 81 VAL HG2 . 15846 1 1022 . 1 1 81 81 VAL C C 13 174.46 . . 1 . . . . 81 VAL C . 15846 1 1023 . 1 1 81 81 VAL CA C 13 58.927 . . 1 . . . . 81 VAL CA . 15846 1 1024 . 1 1 81 81 VAL CB C 13 35.55 . . 1 . . . . 81 VAL CB . 15846 1 1025 . 1 1 81 81 VAL CG1 C 13 23.25 . . 1 . . . . 81 VAL CG1 . 15846 1 1026 . 1 1 81 81 VAL CG2 C 13 19.13 . . 1 . . . . 81 VAL CG2 . 15846 1 1027 . 1 1 81 81 VAL N N 15 118.99 . . 1 . . . . 81 VAL N . 15846 1 1028 . 1 1 82 82 LYS H H 1 8.708 . . 1 . . . . 82 LYS H . 15846 1 1029 . 1 1 82 82 LYS HA H 1 4.58 . . 1 . . . . 82 LYS HA . 15846 1 1030 . 1 1 82 82 LYS HB2 H 1 1.722 . . 2 . . . . 82 LYS HB2 . 15846 1 1031 . 1 1 82 82 LYS HB3 H 1 2.076 . . 2 . . . . 82 LYS HB3 . 15846 1 1032 . 1 1 82 82 LYS HD2 H 1 1.52 . . 2 . . . . 82 LYS HD2 . 15846 1 1033 . 1 1 82 82 LYS HD3 H 1 1.52 . . 2 . . . . 82 LYS HD3 . 15846 1 1034 . 1 1 82 82 LYS HE2 H 1 2.949 . . 2 . . . . 82 LYS HE2 . 15846 1 1035 . 1 1 82 82 LYS HE3 H 1 2.949 . . 2 . . . . 82 LYS HE3 . 15846 1 1036 . 1 1 82 82 LYS HG2 H 1 1.53 . . 2 . . . . 82 LYS HG2 . 15846 1 1037 . 1 1 82 82 LYS HG3 H 1 1.61 . . 2 . . . . 82 LYS HG3 . 15846 1 1038 . 1 1 82 82 LYS C C 13 178.38 . . 1 . . . . 82 LYS C . 15846 1 1039 . 1 1 82 82 LYS CA C 13 55.212 . . 1 . . . . 82 LYS CA . 15846 1 1040 . 1 1 82 82 LYS CB C 13 33.689 . . 1 . . . . 82 LYS CB . 15846 1 1041 . 1 1 82 82 LYS CD C 13 28.983 . . 1 . . . . 82 LYS CD . 15846 1 1042 . 1 1 82 82 LYS CE C 13 42.289 . . 1 . . . . 82 LYS CE . 15846 1 1043 . 1 1 82 82 LYS CG C 13 25.506 . . 1 . . . . 82 LYS CG . 15846 1 1044 . 1 1 82 82 LYS N N 15 120.85 . . 1 . . . . 82 LYS N . 15846 1 1045 . 1 1 83 83 LYS H H 1 8.87 . . 1 . . . . 83 LYS H . 15846 1 1046 . 1 1 83 83 LYS HA H 1 3.18 . . 1 . . . . 83 LYS HA . 15846 1 1047 . 1 1 83 83 LYS HB2 H 1 1.749 . . 2 . . . . 83 LYS HB2 . 15846 1 1048 . 1 1 83 83 LYS HB3 H 1 1.666 . . 2 . . . . 83 LYS HB3 . 15846 1 1049 . 1 1 83 83 LYS HD2 H 1 1.685 . . 2 . . . . 83 LYS HD2 . 15846 1 1050 . 1 1 83 83 LYS HD3 H 1 1.685 . . 2 . . . . 83 LYS HD3 . 15846 1 1051 . 1 1 83 83 LYS HE2 H 1 3.000 . . 2 . . . . 83 LYS HE2 . 15846 1 1052 . 1 1 83 83 LYS HE3 H 1 3.000 . . 2 . . . . 83 LYS HE3 . 15846 1 1053 . 1 1 83 83 LYS HG2 H 1 1.110 . . 2 . . . . 83 LYS HG2 . 15846 1 1054 . 1 1 83 83 LYS HG3 H 1 1.119 . . 2 . . . . 83 LYS HG3 . 15846 1 1055 . 1 1 83 83 LYS C C 13 177.69 . . 1 . . . . 83 LYS C . 15846 1 1056 . 1 1 83 83 LYS CA C 13 59.37 . . 1 . . . . 83 LYS CA . 15846 1 1057 . 1 1 83 83 LYS CB C 13 32.209 . . 1 . . . . 83 LYS CB . 15846 1 1058 . 1 1 83 83 LYS CD C 13 29.644 . . 1 . . . . 83 LYS CD . 15846 1 1059 . 1 1 83 83 LYS CE C 13 41.83 . . 1 . . . . 83 LYS CE . 15846 1 1060 . 1 1 83 83 LYS CG C 13 24.583 . . 1 . . . . 83 LYS CG . 15846 1 1061 . 1 1 83 83 LYS N N 15 121.435 . . 1 . . . . 83 LYS N . 15846 1 1062 . 1 1 84 84 ASP H H 1 8.059 . . 1 . . . . 84 ASP H . 15846 1 1063 . 1 1 84 84 ASP HA H 1 4.22 . . 1 . . . . 84 ASP HA . 15846 1 1064 . 1 1 84 84 ASP HB2 H 1 2.62 . . 2 . . . . 84 ASP HB2 . 15846 1 1065 . 1 1 84 84 ASP HB3 H 1 2.49 . . 2 . . . . 84 ASP HB3 . 15846 1 1066 . 1 1 84 84 ASP C C 13 177.10 . . 1 . . . . 84 ASP C . 15846 1 1067 . 1 1 84 84 ASP CA C 13 55.68 . . 1 . . . . 84 ASP CA . 15846 1 1068 . 1 1 84 84 ASP CB C 13 40.392 . . 1 . . . . 84 ASP CB . 15846 1 1069 . 1 1 84 84 ASP N N 15 112.52 . . 1 . . . . 84 ASP N . 15846 1 1070 . 1 1 85 85 GLU H H 1 7.686 . . 1 . . . . 85 GLU H . 15846 1 1071 . 1 1 85 85 GLU HA H 1 4.136 . . 1 . . . . 85 GLU HA . 15846 1 1072 . 1 1 85 85 GLU HB2 H 1 2.132 . . 2 . . . . 85 GLU HB2 . 15846 1 1073 . 1 1 85 85 GLU HB3 H 1 2.132 . . 2 . . . . 85 GLU HB3 . 15846 1 1074 . 1 1 85 85 GLU HG2 H 1 2.215 . . 2 . . . . 85 GLU HG2 . 15846 1 1075 . 1 1 85 85 GLU HG3 H 1 2.215 . . 2 . . . . 85 GLU HG3 . 15846 1 1076 . 1 1 85 85 GLU C C 13 176.27 . . 1 . . . . 85 GLU C . 15846 1 1077 . 1 1 85 85 GLU CA C 13 56.133 . . 1 . . . . 85 GLU CA . 15846 1 1078 . 1 1 85 85 GLU CB C 13 30.479 . . 1 . . . . 85 GLU CB . 15846 1 1079 . 1 1 85 85 GLU CG C 13 37.78 . . 1 . . . . 85 GLU CG . 15846 1 1080 . 1 1 85 85 GLU N N 15 116.93 . . 1 . . . . 85 GLU N . 15846 1 1081 . 1 1 86 86 LEU H H 1 7.017 . . 1 . . . . 86 LEU H . 15846 1 1082 . 1 1 86 86 LEU HA H 1 3.71 . . 1 . . . . 86 LEU HA . 15846 1 1083 . 1 1 86 86 LEU HB2 H 1 1.42 . . 2 . . . . 86 LEU HB2 . 15846 1 1084 . 1 1 86 86 LEU HB3 H 1 0.54 . . 2 . . . . 86 LEU HB3 . 15846 1 1085 . 1 1 86 86 LEU HD11 H 1 -0.06 . . 1 . . . . 86 LEU HD1 . 15846 1 1086 . 1 1 86 86 LEU HD12 H 1 -0.06 . . 1 . . . . 86 LEU HD1 . 15846 1 1087 . 1 1 86 86 LEU HD13 H 1 -0.06 . . 1 . . . . 86 LEU HD1 . 15846 1 1088 . 1 1 86 86 LEU HD21 H 1 0.355 . . 1 . . . . 86 LEU HD2 . 15846 1 1089 . 1 1 86 86 LEU HD22 H 1 0.355 . . 1 . . . . 86 LEU HD2 . 15846 1 1090 . 1 1 86 86 LEU HD23 H 1 0.355 . . 1 . . . . 86 LEU HD2 . 15846 1 1091 . 1 1 86 86 LEU HG H 1 1.44 . . 1 . . . . 86 LEU HG . 15846 1 1092 . 1 1 86 86 LEU CA C 13 52.6 . . 1 . . . . 86 LEU CA . 15846 1 1093 . 1 1 86 86 LEU CB C 13 42.12 . . 1 . . . . 86 LEU CB . 15846 1 1094 . 1 1 86 86 LEU CD1 C 13 25.53 . . 1 . . . . 86 LEU CD1 . 15846 1 1095 . 1 1 86 86 LEU CD2 C 13 23.19 . . 1 . . . . 86 LEU CD2 . 15846 1 1096 . 1 1 86 86 LEU CG C 13 25.94 . . 1 . . . . 86 LEU CG . 15846 1 1097 . 1 1 86 86 LEU N N 15 119.53 . . 1 . . . . 86 LEU N . 15846 1 1098 . 1 1 87 87 PRO HA H 1 4.33 . . 1 . . . . 87 PRO HA . 15846 1 1099 . 1 1 87 87 PRO HB2 H 1 1.55 . . 2 . . . . 87 PRO HB2 . 15846 1 1100 . 1 1 87 87 PRO HB3 H 1 2.60 . . 2 . . . . 87 PRO HB3 . 15846 1 1101 . 1 1 87 87 PRO HD2 H 1 2.15 . . 2 . . . . 87 PRO HD2 . 15846 1 1102 . 1 1 87 87 PRO HD3 H 1 3.39 . . 2 . . . . 87 PRO HD3 . 15846 1 1103 . 1 1 87 87 PRO HG2 H 1 1.642 . . 2 . . . . 87 PRO HG2 . 15846 1 1104 . 1 1 87 87 PRO HG3 H 1 2.046 . . 2 . . . . 87 PRO HG3 . 15846 1 1105 . 1 1 87 87 PRO C C 13 176.94 . . 1 . . . . 87 PRO C . 15846 1 1106 . 1 1 87 87 PRO CA C 13 62.40 . . 1 . . . . 87 PRO CA . 15846 1 1107 . 1 1 87 87 PRO CB C 13 32.537 . . 1 . . . . 87 PRO CB . 15846 1 1108 . 1 1 87 87 PRO CD C 13 49.4 . . 1 . . . . 87 PRO CD . 15846 1 1109 . 1 1 87 87 PRO CG C 13 27.86 . . 1 . . . . 87 PRO CG . 15846 1 1110 . 1 1 88 88 ALA H H 1 8.943 . . 1 . . . . 88 ALA H . 15846 1 1111 . 1 1 88 88 ALA HA H 1 3.78 . . 1 . . . . 88 ALA HA . 15846 1 1112 . 1 1 88 88 ALA HB1 H 1 1.42 . . 1 . . . . 88 ALA HB . 15846 1 1113 . 1 1 88 88 ALA HB2 H 1 1.42 . . 1 . . . . 88 ALA HB . 15846 1 1114 . 1 1 88 88 ALA HB3 H 1 1.42 . . 1 . . . . 88 ALA HB . 15846 1 1115 . 1 1 88 88 ALA C C 13 180.52 . . 1 . . . . 88 ALA C . 15846 1 1116 . 1 1 88 88 ALA CA C 13 56.911 . . 1 . . . . 88 ALA CA . 15846 1 1117 . 1 1 88 88 ALA CB C 13 18.502 . . 1 . . . . 88 ALA CB . 15846 1 1118 . 1 1 88 88 ALA N N 15 128.16 . . 1 . . . . 88 ALA N . 15846 1 1119 . 1 1 89 89 LYS H H 1 9.27 . . 1 . . . . 89 LYS H . 15846 1 1120 . 1 1 89 89 LYS HA H 1 3.99 . . 1 . . . . 89 LYS HA . 15846 1 1121 . 1 1 89 89 LYS HB2 H 1 1.78 . . 2 . . . . 89 LYS HB2 . 15846 1 1122 . 1 1 89 89 LYS HB3 H 1 1.54 . . 2 . . . . 89 LYS HB3 . 15846 1 1123 . 1 1 89 89 LYS HD2 H 1 1.62 . . 2 . . . . 89 LYS HD2 . 15846 1 1124 . 1 1 89 89 LYS HD3 H 1 1.70 . . 2 . . . . 89 LYS HD3 . 15846 1 1125 . 1 1 89 89 LYS HE2 H 1 2.879 . . 2 . . . . 89 LYS HE2 . 15846 1 1126 . 1 1 89 89 LYS HE3 H 1 2.879 . . 2 . . . . 89 LYS HE3 . 15846 1 1127 . 1 1 89 89 LYS HG2 H 1 1.40 . . 2 . . . . 89 LYS HG2 . 15846 1 1128 . 1 1 89 89 LYS HG3 H 1 1.50 . . 2 . . . . 89 LYS HG3 . 15846 1 1129 . 1 1 89 89 LYS C C 13 179.07 . . 1 . . . . 89 LYS C . 15846 1 1130 . 1 1 89 89 LYS CA C 13 58.648 . . 1 . . . . 89 LYS CA . 15846 1 1131 . 1 1 89 89 LYS CB C 13 31.962 . . 1 . . . . 89 LYS CB . 15846 1 1132 . 1 1 89 89 LYS CD C 13 28.594 . . 1 . . . . 89 LYS CD . 15846 1 1133 . 1 1 89 89 LYS CE C 13 42.14 . . 1 . . . . 89 LYS CE . 15846 1 1134 . 1 1 89 89 LYS CG C 13 25.975 . . 1 . . . . 89 LYS CG . 15846 1 1135 . 1 1 89 89 LYS N N 15 115.61 . . 1 . . . . 89 LYS N . 15846 1 1136 . 1 1 90 90 VAL H H 1 6.846 . . 1 . . . . 90 VAL H . 15846 1 1137 . 1 1 90 90 VAL HA H 1 3.23 . . 1 . . . . 90 VAL HA . 15846 1 1138 . 1 1 90 90 VAL HB H 1 1.86 . . 1 . . . . 90 VAL HB . 15846 1 1139 . 1 1 90 90 VAL HG11 H 1 0.78 . . 2 . . . . 90 VAL HG1 . 15846 1 1140 . 1 1 90 90 VAL HG12 H 1 0.78 . . 2 . . . . 90 VAL HG1 . 15846 1 1141 . 1 1 90 90 VAL HG13 H 1 0.78 . . 2 . . . . 90 VAL HG1 . 15846 1 1142 . 1 1 90 90 VAL HG21 H 1 0.75 . . 2 . . . . 90 VAL HG2 . 15846 1 1143 . 1 1 90 90 VAL HG22 H 1 0.75 . . 2 . . . . 90 VAL HG2 . 15846 1 1144 . 1 1 90 90 VAL HG23 H 1 0.75 . . 2 . . . . 90 VAL HG2 . 15846 1 1145 . 1 1 90 90 VAL C C 13 177.10 . . 1 . . . . 90 VAL C . 15846 1 1146 . 1 1 90 90 VAL CA C 13 65.87 . . 1 . . . . 90 VAL CA . 15846 1 1147 . 1 1 90 90 VAL CB C 13 30.88 . . 1 . . . . 90 VAL CB . 15846 1 1148 . 1 1 90 90 VAL CG1 C 13 23.92 . . 2 . . . . 90 VAL CG1 . 15846 1 1149 . 1 1 90 90 VAL CG2 C 13 23.92 . . 2 . . . . 90 VAL CG2 . 15846 1 1150 . 1 1 90 90 VAL N N 15 117.56 . . 1 . . . . 90 VAL N . 15846 1 1151 . 1 1 91 91 LYS H H 1 7.850 . . 1 . . . . 91 LYS H . 15846 1 1152 . 1 1 91 91 LYS HA H 1 3.43 . . 1 . . . . 91 LYS HA . 15846 1 1153 . 1 1 91 91 LYS HB2 H 1 1.85 . . 2 . . . . 91 LYS HB2 . 15846 1 1154 . 1 1 91 91 LYS HB3 H 1 1.66 . . 2 . . . . 91 LYS HB3 . 15846 1 1155 . 1 1 91 91 LYS HD2 H 1 1.474 . . 2 . . . . 91 LYS HD2 . 15846 1 1156 . 1 1 91 91 LYS HD3 H 1 1.474 . . 2 . . . . 91 LYS HD3 . 15846 1 1157 . 1 1 91 91 LYS HE2 H 1 2.99 . . 2 . . . . 91 LYS HE2 . 15846 1 1158 . 1 1 91 91 LYS HE3 H 1 2.99 . . 2 . . . . 91 LYS HE3 . 15846 1 1159 . 1 1 91 91 LYS HG2 H 1 1.328 . . 2 . . . . 91 LYS HG2 . 15846 1 1160 . 1 1 91 91 LYS HG3 H 1 0.793 . . 2 . . . . 91 LYS HG3 . 15846 1 1161 . 1 1 91 91 LYS C C 13 178.42 . . 1 . . . . 91 LYS C . 15846 1 1162 . 1 1 91 91 LYS CA C 13 61.028 . . 1 . . . . 91 LYS CA . 15846 1 1163 . 1 1 91 91 LYS CB C 13 32.387 . . 1 . . . . 91 LYS CB . 15846 1 1164 . 1 1 91 91 LYS CD C 13 30.234 . . 1 . . . . 91 LYS CD . 15846 1 1165 . 1 1 91 91 LYS CE C 13 42.008 . . 1 . . . . 91 LYS CE . 15846 1 1166 . 1 1 91 91 LYS CG C 13 27.52 . . 1 . . . . 91 LYS CG . 15846 1 1167 . 1 1 91 91 LYS N N 15 118.75 . . 1 . . . . 91 LYS N . 15846 1 1168 . 1 1 92 92 GLU H H 1 7.282 . . 1 . . . . 92 GLU H . 15846 1 1169 . 1 1 92 92 GLU HA H 1 3.99 . . 1 . . . . 92 GLU HA . 15846 1 1170 . 1 1 92 92 GLU HB2 H 1 2.00 . . 2 . . . . 92 GLU HB2 . 15846 1 1171 . 1 1 92 92 GLU HB3 H 1 2.00 . . 2 . . . . 92 GLU HB3 . 15846 1 1172 . 1 1 92 92 GLU HG2 H 1 2.06 . . 2 . . . . 92 GLU HG2 . 15846 1 1173 . 1 1 92 92 GLU HG3 H 1 2.30 . . 2 . . . . 92 GLU HG3 . 15846 1 1174 . 1 1 92 92 GLU C C 13 179.38 . . 1 . . . . 92 GLU C . 15846 1 1175 . 1 1 92 92 GLU CA C 13 59.030 . . 1 . . . . 92 GLU CA . 15846 1 1176 . 1 1 92 92 GLU CB C 13 29.841 . . 1 . . . . 92 GLU CB . 15846 1 1177 . 1 1 92 92 GLU CG C 13 35.93 . . 1 . . . . 92 GLU CG . 15846 1 1178 . 1 1 92 92 GLU N N 15 115.375 . . 1 . . . . 92 GLU N . 15846 1 1179 . 1 1 93 93 LYS H H 1 7.343 . . 1 . . . . 93 LYS H . 15846 1 1180 . 1 1 93 93 LYS HA H 1 3.80 . . 1 . . . . 93 LYS HA . 15846 1 1181 . 1 1 93 93 LYS HB2 H 1 1.09 . . 2 . . . . 93 LYS HB2 . 15846 1 1182 . 1 1 93 93 LYS HB3 H 1 0.286 . . 2 . . . . 93 LYS HB3 . 15846 1 1183 . 1 1 93 93 LYS HD2 H 1 1.36 . . 2 . . . . 93 LYS HD2 . 15846 1 1184 . 1 1 93 93 LYS HD3 H 1 1.487 . . 2 . . . . 93 LYS HD3 . 15846 1 1185 . 1 1 93 93 LYS HE2 H 1 2.90 . . 2 . . . . 93 LYS HE2 . 15846 1 1186 . 1 1 93 93 LYS HE3 H 1 3.00 . . 2 . . . . 93 LYS HE3 . 15846 1 1187 . 1 1 93 93 LYS HG2 H 1 1.36 . . 2 . . . . 93 LYS HG2 . 15846 1 1188 . 1 1 93 93 LYS HG3 H 1 1.05 . . 2 . . . . 93 LYS HG3 . 15846 1 1189 . 1 1 93 93 LYS C C 13 178.31 . . 1 . . . . 93 LYS C . 15846 1 1190 . 1 1 93 93 LYS CA C 13 56.97 . . 1 . . . . 93 LYS CA . 15846 1 1191 . 1 1 93 93 LYS CB C 13 30.74 . . 1 . . . . 93 LYS CB . 15846 1 1192 . 1 1 93 93 LYS CD C 13 27.608 . . 1 . . . . 93 LYS CD . 15846 1 1193 . 1 1 93 93 LYS CE C 13 42.252 . . 1 . . . . 93 LYS CE . 15846 1 1194 . 1 1 93 93 LYS CG C 13 24.4 . . 1 . . . . 93 LYS CG . 15846 1 1195 . 1 1 93 93 LYS N N 15 118.37 . . 1 . . . . 93 LYS N . 15846 1 1196 . 1 1 94 94 LEU H H 1 8.000 . . 1 . . . . 94 LEU H . 15846 1 1197 . 1 1 94 94 LEU HA H 1 4.36 . . 1 . . . . 94 LEU HA . 15846 1 1198 . 1 1 94 94 LEU HB2 H 1 1.678 . . 2 . . . . 94 LEU HB2 . 15846 1 1199 . 1 1 94 94 LEU HB3 H 1 1.678 . . 2 . . . . 94 LEU HB3 . 15846 1 1200 . 1 1 94 94 LEU HD11 H 1 0.868 . . 1 . . . . 94 LEU HD1 . 15846 1 1201 . 1 1 94 94 LEU HD12 H 1 0.868 . . 1 . . . . 94 LEU HD1 . 15846 1 1202 . 1 1 94 94 LEU HD13 H 1 0.868 . . 1 . . . . 94 LEU HD1 . 15846 1 1203 . 1 1 94 94 LEU HD21 H 1 1.21 . . 1 . . . . 94 LEU HD2 . 15846 1 1204 . 1 1 94 94 LEU HD22 H 1 1.21 . . 1 . . . . 94 LEU HD2 . 15846 1 1205 . 1 1 94 94 LEU HD23 H 1 1.21 . . 1 . . . . 94 LEU HD2 . 15846 1 1206 . 1 1 94 94 LEU HG H 1 1.71 . . 1 . . . . 94 LEU HG . 15846 1 1207 . 1 1 94 94 LEU C C 13 177.35 . . 1 . . . . 94 LEU C . 15846 1 1208 . 1 1 94 94 LEU CA C 13 54.765 . . 1 . . . . 94 LEU CA . 15846 1 1209 . 1 1 94 94 LEU CB C 13 42.796 . . 1 . . . . 94 LEU CB . 15846 1 1210 . 1 1 94 94 LEU CD1 C 13 26.8 . . 1 . . . . 94 LEU CD1 . 15846 1 1211 . 1 1 94 94 LEU CD2 C 13 23.5 . . 1 . . . . 94 LEU CD2 . 15846 1 1212 . 1 1 94 94 LEU CG C 13 26.8 . . 1 . . . . 94 LEU CG . 15846 1 1213 . 1 1 94 94 LEU N N 15 115.60 . . 1 . . . . 94 LEU N . 15846 1 1214 . 1 1 95 95 GLY H H 1 7.601 . . 1 . . . . 95 GLY H . 15846 1 1215 . 1 1 95 95 GLY HA2 H 1 3.83 . . 2 . . . . 95 GLY HA2 . 15846 1 1216 . 1 1 95 95 GLY HA3 H 1 3.95 . . 2 . . . . 95 GLY HA3 . 15846 1 1217 . 1 1 95 95 GLY C C 13 174.79 . . 1 . . . . 95 GLY C . 15846 1 1218 . 1 1 95 95 GLY CA C 13 46.55 . . 1 . . . . 95 GLY CA . 15846 1 1219 . 1 1 95 95 GLY N N 15 108.54 . . 1 . . . . 95 GLY N . 15846 1 1220 . 1 1 96 96 VAL H H 1 7.957 . . 1 . . . . 96 VAL H . 15846 1 1221 . 1 1 96 96 VAL HA H 1 3.94 . . 1 . . . . 96 VAL HA . 15846 1 1222 . 1 1 96 96 VAL HB H 1 1.80 . . 1 . . . . 96 VAL HB . 15846 1 1223 . 1 1 96 96 VAL HG11 H 1 0.808 . . 2 . . . . 96 VAL HG1 . 15846 1 1224 . 1 1 96 96 VAL HG12 H 1 0.808 . . 2 . . . . 96 VAL HG1 . 15846 1 1225 . 1 1 96 96 VAL HG13 H 1 0.808 . . 2 . . . . 96 VAL HG1 . 15846 1 1226 . 1 1 96 96 VAL HG21 H 1 0.808 . . 2 . . . . 96 VAL HG2 . 15846 1 1227 . 1 1 96 96 VAL HG22 H 1 0.808 . . 2 . . . . 96 VAL HG2 . 15846 1 1228 . 1 1 96 96 VAL HG23 H 1 0.808 . . 2 . . . . 96 VAL HG2 . 15846 1 1229 . 1 1 96 96 VAL C C 13 175.54 . . 1 . . . . 96 VAL C . 15846 1 1230 . 1 1 96 96 VAL CA C 13 62.314 . . 1 . . . . 96 VAL CA . 15846 1 1231 . 1 1 96 96 VAL CB C 13 32.155 . . 1 . . . . 96 VAL CB . 15846 1 1232 . 1 1 96 96 VAL CG1 C 13 21.4 . . 2 . . . . 96 VAL CG1 . 15846 1 1233 . 1 1 96 96 VAL CG2 C 13 21.4 . . 2 . . . . 96 VAL CG2 . 15846 1 1234 . 1 1 96 96 VAL N N 15 119.49 . . 1 . . . . 96 VAL N . 15846 1 1235 . 1 1 97 97 LYS H H 1 8.293 . . 1 . . . . 97 LYS H . 15846 1 1236 . 1 1 97 97 LYS HA H 1 4.21 . . 1 . . . . 97 LYS HA . 15846 1 1237 . 1 1 97 97 LYS HB2 H 1 1.65 . . 2 . . . . 97 LYS HB2 . 15846 1 1238 . 1 1 97 97 LYS HB3 H 1 1.626 . . 2 . . . . 97 LYS HB3 . 15846 1 1239 . 1 1 97 97 LYS HD2 H 1 1.47 . . 2 . . . . 97 LYS HD2 . 15846 1 1240 . 1 1 97 97 LYS HD3 H 1 1.47 . . 2 . . . . 97 LYS HD3 . 15846 1 1241 . 1 1 97 97 LYS HE2 H 1 2.96 . . 2 . . . . 97 LYS HE2 . 15846 1 1242 . 1 1 97 97 LYS HE3 H 1 2.96 . . 2 . . . . 97 LYS HE3 . 15846 1 1243 . 1 1 97 97 LYS HG2 H 1 1.355 . . 2 . . . . 97 LYS HG2 . 15846 1 1244 . 1 1 97 97 LYS HG3 H 1 1.396 . . 2 . . . . 97 LYS HG3 . 15846 1 1245 . 1 1 97 97 LYS C C 13 176.29 . . 1 . . . . 97 LYS C . 15846 1 1246 . 1 1 97 97 LYS CA C 13 56.174 . . 1 . . . . 97 LYS CA . 15846 1 1247 . 1 1 97 97 LYS CB C 13 33.2 . . 1 . . . . 97 LYS CB . 15846 1 1248 . 1 1 97 97 LYS CD C 13 29.03 . . 1 . . . . 97 LYS CD . 15846 1 1249 . 1 1 97 97 LYS CE C 13 42.104 . . 1 . . . . 97 LYS CE . 15846 1 1250 . 1 1 97 97 LYS CG C 13 24.8 . . 1 . . . . 97 LYS CG . 15846 1 1251 . 1 1 97 97 LYS N N 15 126.12 . . 1 . . . . 97 LYS N . 15846 1 1252 . 1 1 98 98 LEU H H 1 8.315 . . 1 . . . . 98 LEU H . 15846 1 1253 . 1 1 98 98 LEU HA H 1 4.24 . . 1 . . . . 98 LEU HA . 15846 1 1254 . 1 1 98 98 LEU HB2 H 1 1.43 . . 2 . . . . 98 LEU HB2 . 15846 1 1255 . 1 1 98 98 LEU HB3 H 1 1.52 . . 2 . . . . 98 LEU HB3 . 15846 1 1256 . 1 1 98 98 LEU HD11 H 1 0.84 . . 2 . . . . 98 LEU HD1 . 15846 1 1257 . 1 1 98 98 LEU HD12 H 1 0.84 . . 2 . . . . 98 LEU HD1 . 15846 1 1258 . 1 1 98 98 LEU HD13 H 1 0.84 . . 2 . . . . 98 LEU HD1 . 15846 1 1259 . 1 1 98 98 LEU HD21 H 1 0.767 . . 2 . . . . 98 LEU HD2 . 15846 1 1260 . 1 1 98 98 LEU HD22 H 1 0.767 . . 2 . . . . 98 LEU HD2 . 15846 1 1261 . 1 1 98 98 LEU HD23 H 1 0.767 . . 2 . . . . 98 LEU HD2 . 15846 1 1262 . 1 1 98 98 LEU HG H 1 1.52 . . 2 . . . . 98 LEU HG . 15846 1 1263 . 1 1 98 98 LEU C C 13 176.93 . . 1 . . . . 98 LEU C . 15846 1 1264 . 1 1 98 98 LEU CA C 13 54.8 . . 1 . . . . 98 LEU CA . 15846 1 1265 . 1 1 98 98 LEU CB C 13 42.217 . . 1 . . . . 98 LEU CB . 15846 1 1266 . 1 1 98 98 LEU CD1 C 13 24.8 . . 2 . . . . 98 LEU CD1 . 15846 1 1267 . 1 1 98 98 LEU CD2 C 13 23.2 . . 2 . . . . 98 LEU CD2 . 15846 1 1268 . 1 1 98 98 LEU CG C 13 26.66 . . 1 . . . . 98 LEU CG . 15846 1 1269 . 1 1 98 98 LEU N N 15 124.17 . . 1 . . . . 98 LEU N . 15846 1 1270 . 1 1 99 99 GLU H H 1 8.375 . . 1 . . . . 99 GLU H . 15846 1 1271 . 1 1 99 99 GLU HA H 1 4.175 . . 1 . . . . 99 GLU HA . 15846 1 1272 . 1 1 99 99 GLU HB2 H 1 1.81 . . 2 . . . . 99 GLU HB2 . 15846 1 1273 . 1 1 99 99 GLU HB3 H 1 1.86 . . 2 . . . . 99 GLU HB3 . 15846 1 1274 . 1 1 99 99 GLU HG2 H 1 2.13 . . 2 . . . . 99 GLU HG2 . 15846 1 1275 . 1 1 99 99 GLU HG3 H 1 2.13 . . 2 . . . . 99 GLU HG3 . 15846 1 1276 . 1 1 99 99 GLU C C 13 176.035 . . 1 . . . . 99 GLU C . 15846 1 1277 . 1 1 99 99 GLU CA C 13 56.352 . . 1 . . . . 99 GLU CA . 15846 1 1278 . 1 1 99 99 GLU CB C 13 30.46 . . 1 . . . . 99 GLU CB . 15846 1 1279 . 1 1 99 99 GLU CG C 13 36.1 . . 1 . . . . 99 GLU CG . 15846 1 1280 . 1 1 99 99 GLU N N 15 122.01 . . 1 . . . . 99 GLU N . 15846 1 1281 . 1 1 100 100 HIS H H 1 8.35 . . 1 . . . . 100 HIS H . 15846 1 1282 . 1 1 100 100 HIS HA H 1 4.565 . . 1 . . . . 100 HIS HA . 15846 1 1283 . 1 1 100 100 HIS HB2 H 1 3.09 . . 2 . . . . 100 HIS HB2 . 15846 1 1284 . 1 1 100 100 HIS HB3 H 1 3.09 . . 2 . . . . 100 HIS HB3 . 15846 1 1285 . 1 1 100 100 HIS C C 13 173.88 . . 1 . . . . 100 HIS C . 15846 1 1286 . 1 1 100 100 HIS CA C 13 56.05 . . 1 . . . . 100 HIS CA . 15846 1 1287 . 1 1 100 100 HIS CB C 13 30.144 . . 1 . . . . 100 HIS CB . 15846 1 1288 . 1 1 100 100 HIS N N 15 120.245 . . 1 . . . . 100 HIS N . 15846 1 1289 . 1 1 101 101 HIS H H 1 8.134 . . 1 . . . . 101 HIS H . 15846 1 1290 . 1 1 101 101 HIS HA H 1 4.41 . . 1 . . . . 101 HIS HA . 15846 1 1291 . 1 1 101 101 HIS HB2 H 1 3.08 . . 2 . . . . 101 HIS HB2 . 15846 1 1292 . 1 1 101 101 HIS HB3 H 1 3.08 . . 2 . . . . 101 HIS HB3 . 15846 1 1293 . 1 1 101 101 HIS CA C 13 57.29 . . 1 . . . . 101 HIS CA . 15846 1 1294 . 1 1 101 101 HIS CB C 13 31.45 . . 1 . . . . 101 HIS CB . 15846 1 1295 . 1 1 101 101 HIS N N 15 125.366 . . 1 . . . . 101 HIS N . 15846 1 stop_ save_