data_4239 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4239 _Entry.Title ; Sequence-specific 1H, 13C and 15N assignment of the single-stranded DNA binding protein of the bacteriophage f29 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-10-08 _Entry.Accession_date 1998-10-08 _Entry.Last_release_date 2000-03-17 _Entry.Original_release_date 2000-03-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Pineda-Lucena . . . 4239 2 G. Vuister . W. . 4239 3 C. Hilbers . W. . 4239 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4239 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 4239 '15N chemical shifts' 88 4239 '1H chemical shifts' 462 4239 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-03-17 1998-10-08 original author . 4239 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4239 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98407983 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequence-specific 1H, 13C and 15N assignment of the single-stranded DNA binding protein of the bacteriophage phi 29. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _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 303 _Citation.Page_last 304 _Citation.Year 1999 _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 A. Pineda-Lucena . . . 4239 1 2 G. Vuister . W. . 4239 1 3 C. Hilbers . W. . 4239 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CHAPS 4239 1 f29 4239 1 'NMR assignments' 4239 1 ssDNA 4239 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_f29-SSB_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode f29-SSB_protein _Assembly.Entry_ID 4239 _Assembly.ID 1 _Assembly.Name 'f29-SSB bacteriophage' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The data reported here represents the single-stranded DNA binding domain (residues 1-124) of the bacteriophage f29 ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4239 1 stop_ 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 f29-SSB 1 $f29-SSB . . . native . . . . . 4239 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID f29-SSB abbreviation 4239 1 'f29-SSB bacteriophage' system 4239 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_f29-SSB _Entity.Sf_category entity _Entity.Sf_framecode f29-SSB _Entity.Entry_ID 4239 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name f29-SSB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MENTNIVKATFDTETLEGQI KIFNAQTGGGQSFKNLPDGT IIEANAIAQYKQVSDTYGDA KEETVTTIFAADGSLYSAIS KTVAEAASDLIDLVTRHKLE TFKVKVVQGTSSKGNVWFSL QLSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 EMBL CAA24483 . "unnamed protein product [Bacillus phage phi29]" . . . . . 100.00 124 99.19 100.00 3.61e-81 . . . . 4239 1 2 no GB AAA88475 . "gene 5A product [Bacillus phage PZA]" . . . . . 100.00 124 98.39 99.19 3.39e-80 . . . . 4239 1 3 no GB ACE96026 . "single stranded DNA-binding protein [Bacillus phage phi29]" . . . . . 100.00 124 99.19 100.00 3.61e-81 . . . . 4239 1 4 no PRF 1112171H . "ORF 5A" . . . . . 100.00 124 98.39 99.19 3.39e-80 . . . . 4239 1 5 no REF YP_002004532 . "single stranded DNA-binding protein [Bacillus phage phi29]" . . . . . 100.00 124 99.19 100.00 3.61e-81 . . . . 4239 1 6 no SP P06953 . "RecName: Full=Single-strand-binding protein; Short=SSB; AltName: Full=Early protein GP5 [Bacillus phage PZA]" . . . . . 100.00 124 98.39 99.19 3.39e-80 . . . . 4239 1 7 no SP Q38504 . "RecName: Full=Single-strand-binding protein; Short=SSB; AltName: Full=Early protein GP5 [Bacillus phage phi29]" . . . . . 100.00 124 99.19 100.00 3.61e-81 . . . . 4239 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID f29-SSB abbreviation 4239 1 f29-SSB common 4239 1 p5 variant 4239 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 . 4239 1 2 . GLU . 4239 1 3 . ASN . 4239 1 4 . THR . 4239 1 5 . ASN . 4239 1 6 . ILE . 4239 1 7 . VAL . 4239 1 8 . LYS . 4239 1 9 . ALA . 4239 1 10 . THR . 4239 1 11 . PHE . 4239 1 12 . ASP . 4239 1 13 . THR . 4239 1 14 . GLU . 4239 1 15 . THR . 4239 1 16 . LEU . 4239 1 17 . GLU . 4239 1 18 . GLY . 4239 1 19 . GLN . 4239 1 20 . ILE . 4239 1 21 . LYS . 4239 1 22 . ILE . 4239 1 23 . PHE . 4239 1 24 . ASN . 4239 1 25 . ALA . 4239 1 26 . GLN . 4239 1 27 . THR . 4239 1 28 . GLY . 4239 1 29 . GLY . 4239 1 30 . GLY . 4239 1 31 . GLN . 4239 1 32 . SER . 4239 1 33 . PHE . 4239 1 34 . LYS . 4239 1 35 . ASN . 4239 1 36 . LEU . 4239 1 37 . PRO . 4239 1 38 . ASP . 4239 1 39 . GLY . 4239 1 40 . THR . 4239 1 41 . ILE . 4239 1 42 . ILE . 4239 1 43 . GLU . 4239 1 44 . ALA . 4239 1 45 . ASN . 4239 1 46 . ALA . 4239 1 47 . ILE . 4239 1 48 . ALA . 4239 1 49 . GLN . 4239 1 50 . TYR . 4239 1 51 . LYS . 4239 1 52 . GLN . 4239 1 53 . VAL . 4239 1 54 . SER . 4239 1 55 . ASP . 4239 1 56 . THR . 4239 1 57 . TYR . 4239 1 58 . GLY . 4239 1 59 . ASP . 4239 1 60 . ALA . 4239 1 61 . LYS . 4239 1 62 . GLU . 4239 1 63 . GLU . 4239 1 64 . THR . 4239 1 65 . VAL . 4239 1 66 . THR . 4239 1 67 . THR . 4239 1 68 . ILE . 4239 1 69 . PHE . 4239 1 70 . ALA . 4239 1 71 . ALA . 4239 1 72 . ASP . 4239 1 73 . GLY . 4239 1 74 . SER . 4239 1 75 . LEU . 4239 1 76 . TYR . 4239 1 77 . SER . 4239 1 78 . ALA . 4239 1 79 . ILE . 4239 1 80 . SER . 4239 1 81 . LYS . 4239 1 82 . THR . 4239 1 83 . VAL . 4239 1 84 . ALA . 4239 1 85 . GLU . 4239 1 86 . ALA . 4239 1 87 . ALA . 4239 1 88 . SER . 4239 1 89 . ASP . 4239 1 90 . LEU . 4239 1 91 . ILE . 4239 1 92 . ASP . 4239 1 93 . LEU . 4239 1 94 . VAL . 4239 1 95 . THR . 4239 1 96 . ARG . 4239 1 97 . HIS . 4239 1 98 . LYS . 4239 1 99 . LEU . 4239 1 100 . GLU . 4239 1 101 . THR . 4239 1 102 . PHE . 4239 1 103 . LYS . 4239 1 104 . VAL . 4239 1 105 . LYS . 4239 1 106 . VAL . 4239 1 107 . VAL . 4239 1 108 . GLN . 4239 1 109 . GLY . 4239 1 110 . THR . 4239 1 111 . SER . 4239 1 112 . SER . 4239 1 113 . LYS . 4239 1 114 . GLY . 4239 1 115 . ASN . 4239 1 116 . VAL . 4239 1 117 . TRP . 4239 1 118 . PHE . 4239 1 119 . SER . 4239 1 120 . LEU . 4239 1 121 . GLN . 4239 1 122 . LEU . 4239 1 123 . SER . 4239 1 124 . LEU . 4239 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 4239 1 . GLU 2 2 4239 1 . ASN 3 3 4239 1 . THR 4 4 4239 1 . ASN 5 5 4239 1 . ILE 6 6 4239 1 . VAL 7 7 4239 1 . LYS 8 8 4239 1 . ALA 9 9 4239 1 . THR 10 10 4239 1 . PHE 11 11 4239 1 . ASP 12 12 4239 1 . THR 13 13 4239 1 . GLU 14 14 4239 1 . THR 15 15 4239 1 . LEU 16 16 4239 1 . GLU 17 17 4239 1 . GLY 18 18 4239 1 . GLN 19 19 4239 1 . ILE 20 20 4239 1 . LYS 21 21 4239 1 . ILE 22 22 4239 1 . PHE 23 23 4239 1 . ASN 24 24 4239 1 . ALA 25 25 4239 1 . GLN 26 26 4239 1 . THR 27 27 4239 1 . GLY 28 28 4239 1 . GLY 29 29 4239 1 . GLY 30 30 4239 1 . GLN 31 31 4239 1 . SER 32 32 4239 1 . PHE 33 33 4239 1 . LYS 34 34 4239 1 . ASN 35 35 4239 1 . LEU 36 36 4239 1 . PRO 37 37 4239 1 . ASP 38 38 4239 1 . GLY 39 39 4239 1 . THR 40 40 4239 1 . ILE 41 41 4239 1 . ILE 42 42 4239 1 . GLU 43 43 4239 1 . ALA 44 44 4239 1 . ASN 45 45 4239 1 . ALA 46 46 4239 1 . ILE 47 47 4239 1 . ALA 48 48 4239 1 . GLN 49 49 4239 1 . TYR 50 50 4239 1 . LYS 51 51 4239 1 . GLN 52 52 4239 1 . VAL 53 53 4239 1 . SER 54 54 4239 1 . ASP 55 55 4239 1 . THR 56 56 4239 1 . TYR 57 57 4239 1 . GLY 58 58 4239 1 . ASP 59 59 4239 1 . ALA 60 60 4239 1 . LYS 61 61 4239 1 . GLU 62 62 4239 1 . GLU 63 63 4239 1 . THR 64 64 4239 1 . VAL 65 65 4239 1 . THR 66 66 4239 1 . THR 67 67 4239 1 . ILE 68 68 4239 1 . PHE 69 69 4239 1 . ALA 70 70 4239 1 . ALA 71 71 4239 1 . ASP 72 72 4239 1 . GLY 73 73 4239 1 . SER 74 74 4239 1 . LEU 75 75 4239 1 . TYR 76 76 4239 1 . SER 77 77 4239 1 . ALA 78 78 4239 1 . ILE 79 79 4239 1 . SER 80 80 4239 1 . LYS 81 81 4239 1 . THR 82 82 4239 1 . VAL 83 83 4239 1 . ALA 84 84 4239 1 . GLU 85 85 4239 1 . ALA 86 86 4239 1 . ALA 87 87 4239 1 . SER 88 88 4239 1 . ASP 89 89 4239 1 . LEU 90 90 4239 1 . ILE 91 91 4239 1 . ASP 92 92 4239 1 . LEU 93 93 4239 1 . VAL 94 94 4239 1 . THR 95 95 4239 1 . ARG 96 96 4239 1 . HIS 97 97 4239 1 . LYS 98 98 4239 1 . LEU 99 99 4239 1 . GLU 100 100 4239 1 . THR 101 101 4239 1 . PHE 102 102 4239 1 . LYS 103 103 4239 1 . VAL 104 104 4239 1 . LYS 105 105 4239 1 . VAL 106 106 4239 1 . VAL 107 107 4239 1 . GLN 108 108 4239 1 . GLY 109 109 4239 1 . THR 110 110 4239 1 . SER 111 111 4239 1 . SER 112 112 4239 1 . LYS 113 113 4239 1 . GLY 114 114 4239 1 . ASN 115 115 4239 1 . VAL 116 116 4239 1 . TRP 117 117 4239 1 . PHE 118 118 4239 1 . SER 119 119 4239 1 . LEU 120 120 4239 1 . GLN 121 121 4239 1 . LEU 122 122 4239 1 . SER 123 123 4239 1 . LEU 124 124 4239 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 4239 _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 $f29-SSB . . . . . 'bacteriophage f29' . . . . . . . . . . . . . . . . . . . . . . . . . . . 4239 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 4239 _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 $f29-SSB . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli PC-V3059 . . . . . . . . . . . . . . . pGM26 . . . . . . 4239 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4239 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 f29-SSB . . . 1 $f29-SSB . . 0.85 . . mM . . . . 4239 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4239 1 3 D2O . . . . . . . 100 . . % . . . . 4239 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4239 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 f29-SSB [U-15N] . . 1 $f29-SSB . . 0.85 . . mM . . . . 4239 2 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4239 2 3 CHAPS . . . . . . . 5 . . mM . . . . 4239 2 4 D2O . . . . . . . 10 . . % . . . . 4239 2 5 H2O . . . . . . . 90 . . % . . . . 4239 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4239 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 f29-SSB '[U-15N], reverse labeled for Thr/Leu' . . 1 $f29-SSB . . 0.85 . . mM . . . . 4239 3 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4239 3 3 CHAPS . . . . . . . 5 . . mM . . . . 4239 3 4 D2O . . . . . . . 10 . . % . . . . 4239 3 5 H2O . . . . . . . 90 . . % . . . . 4239 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4239 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 f29-SSB '[U-15N; U-13C], reverse labeled for Thr/Leu' . . 1 $f29-SSB . . 0.85 . . mM . . . . 4239 4 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4239 4 3 CHAPS . . . . . . . 5 . . mM . . . . 4239 4 4 D2O . . . . . . . 10 . . % . . . . 4239 4 5 H2O . . . . . . . 90 . . % . . . . 4239 4 stop_ save_ ####################### # Sample conditions # ####################### save_experimental_conditions_f29-SSB _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode experimental_conditions_f29-SSB _Sample_condition_list.Entry_ID 4239 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4239 1 temperature 298 . K 4239 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4239 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4239 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4239 _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 NMR_spectrometer_one Varian 'Unity Inova' . 500 . . . 4239 1 2 NMR_spectrometer_two Varian 'Unity Inova' . 750 . . . 4239 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 4239 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4239 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 43.2 . indirect 0.251449530 . . . . . . . . . 4239 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct . . . . . . . . . . 4239 1 N 15 H2O protons . . . . ppm 118.04 . indirect 0.101329118 . . . . . . . . . 4239 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_chemical_shift_assignment_f29-SSB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_f29-SSB _Assigned_chem_shift_list.Entry_ID 4239 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions_f29-SSB _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4239 1 . . 2 $sample_two . 4239 1 . . 3 $sample_three . 4239 1 . . 4 $sample_four . 4239 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.065 . . . . . . . . . . . 4239 1 2 . 1 1 1 1 MET HB2 H 1 2.144 . . . . . . . . . . . 4239 1 3 . 1 1 1 1 MET HB3 H 1 2.144 . . . . . . . . . . . 4239 1 4 . 1 1 1 1 MET HG2 H 1 2.614 . . . . . . . . . . . 4239 1 5 . 1 1 1 1 MET HG3 H 1 2.614 . . . . . . . . . . . 4239 1 6 . 1 1 1 1 MET HE1 H 1 2.114 . . . . . . . . . . . 4239 1 7 . 1 1 1 1 MET HE2 H 1 2.114 . . . . . . . . . . . 4239 1 8 . 1 1 1 1 MET HE3 H 1 2.114 . . . . . . . . . . . 4239 1 9 . 1 1 1 1 MET C C 13 172.400 . . . . . . . . . . . 4239 1 10 . 1 1 1 1 MET CA C 13 54.886 . . . . . . . . . . . 4239 1 11 . 1 1 1 1 MET CB C 13 30.892 . . . . . . . . . . . 4239 1 12 . 1 1 1 1 MET CE C 13 16.593 . . . . . . . . . . . 4239 1 13 . 1 1 2 2 GLU HA H 1 4.416 . . . . . . . . . . . 4239 1 14 . 1 1 2 2 GLU HB2 H 1 2.076 . . . . . . . . . . . 4239 1 15 . 1 1 2 2 GLU HB3 H 1 1.965 . . . . . . . . . . . 4239 1 16 . 1 1 2 2 GLU HG2 H 1 2.292 . . . . . . . . . . . 4239 1 17 . 1 1 2 2 GLU HG3 H 1 2.292 . . . . . . . . . . . 4239 1 18 . 1 1 2 2 GLU C C 13 175.027 . . . . . . . . . . . 4239 1 19 . 1 1 2 2 GLU CA C 13 56.129 . . . . . . . . . . . 4239 1 20 . 1 1 2 2 GLU CB C 13 30.559 . . . . . . . . . . . 4239 1 21 . 1 1 3 3 ASN H H 1 8.751 . . . . . . . . . . . 4239 1 22 . 1 1 3 3 ASN HA H 1 4.762 . . . . . . . . . . . 4239 1 23 . 1 1 3 3 ASN HB2 H 1 2.891 . . . . . . . . . . . 4239 1 24 . 1 1 3 3 ASN HB3 H 1 2.811 . . . . . . . . . . . 4239 1 25 . 1 1 3 3 ASN C C 13 174.597 . . . . . . . . . . . 4239 1 26 . 1 1 3 3 ASN CA C 13 53.177 . . . . . . . . . . . 4239 1 27 . 1 1 3 3 ASN CB C 13 38.509 . . . . . . . . . . . 4239 1 28 . 1 1 3 3 ASN N N 15 117.416 . . . . . . . . . . . 4239 1 29 . 1 1 4 4 THR H H 1 8.177 . . . . . . . . . . . 4239 1 30 . 1 1 4 4 THR HA H 1 4.457 . . . . . . . . . . . 4239 1 31 . 1 1 4 4 THR HB H 1 4.227 . . . . . . . . . . . 4239 1 32 . 1 1 4 4 THR HG21 H 1 1.214 . . . . . . . . . . . 4239 1 33 . 1 1 4 4 THR HG22 H 1 1.214 . . . . . . . . . . . 4239 1 34 . 1 1 4 4 THR HG23 H 1 1.214 . . . . . . . . . . . 4239 1 35 . 1 1 4 4 THR N N 15 111.371 . . . . . . . . . . . 4239 1 36 . 1 1 5 5 ASN H H 1 8.616 . . . . . . . . . . . 4239 1 37 . 1 1 5 5 ASN HA H 1 4.742 . . . . . . . . . . . 4239 1 38 . 1 1 5 5 ASN HB2 H 1 2.852 . . . . . . . . . . . 4239 1 39 . 1 1 5 5 ASN HB3 H 1 2.780 . . . . . . . . . . . 4239 1 40 . 1 1 5 5 ASN C C 13 173.972 . . . . . . . . . . . 4239 1 41 . 1 1 5 5 ASN CA C 13 53.021 . . . . . . . . . . . 4239 1 42 . 1 1 5 5 ASN CB C 13 38.645 . . . . . . . . . . . 4239 1 43 . 1 1 5 5 ASN N N 15 117.936 . . . . . . . . . . . 4239 1 44 . 1 1 6 6 ILE H H 1 8.214 . . . . . . . . . . . 4239 1 45 . 1 1 6 6 ILE HA H 1 4.148 . . . . . . . . . . . 4239 1 46 . 1 1 6 6 ILE C C 13 174.210 . . . . . . . . . . . 4239 1 47 . 1 1 6 6 ILE CA C 13 62.188 . . . . . . . . . . . 4239 1 48 . 1 1 6 6 ILE N N 15 119.315 . . . . . . . . . . . 4239 1 49 . 1 1 7 7 VAL H H 1 8.189 . . . . . . . . . . . 4239 1 50 . 1 1 7 7 VAL HA H 1 4.082 . . . . . . . . . . . 4239 1 51 . 1 1 7 7 VAL N N 15 124.244 . . . . . . . . . . . 4239 1 52 . 1 1 8 8 LYS H H 1 8.696 . . . . . . . . . . . 4239 1 53 . 1 1 8 8 LYS HA H 1 4.583 . . . . . . . . . . . 4239 1 54 . 1 1 8 8 LYS HB2 H 1 2.015 . . . . . . . . . . . 4239 1 55 . 1 1 8 8 LYS HB3 H 1 2.015 . . . . . . . . . . . 4239 1 56 . 1 1 8 8 LYS HG2 H 1 1.494 . . . . . . . . . . . 4239 1 57 . 1 1 8 8 LYS HG3 H 1 1.494 . . . . . . . . . . . 4239 1 58 . 1 1 8 8 LYS C C 13 172.892 . . . . . . . . . . . 4239 1 59 . 1 1 8 8 LYS CA C 13 55.818 . . . . . . . . . . . 4239 1 60 . 1 1 8 8 LYS CB C 13 35.196 . . . . . . . . . . . 4239 1 61 . 1 1 8 8 LYS N N 15 124.706 . . . . . . . . . . . 4239 1 62 . 1 1 9 9 ALA H H 1 8.781 . . . . . . . . . . . 4239 1 63 . 1 1 9 9 ALA HA H 1 5.095 . . . . . . . . . . . 4239 1 64 . 1 1 9 9 ALA HB1 H 1 0.950 . . . . . . . . . . . 4239 1 65 . 1 1 9 9 ALA HB2 H 1 0.950 . . . . . . . . . . . 4239 1 66 . 1 1 9 9 ALA HB3 H 1 0.950 . . . . . . . . . . . 4239 1 67 . 1 1 9 9 ALA C C 13 175.079 . . . . . . . . . . . 4239 1 68 . 1 1 9 9 ALA CA C 13 51.468 . . . . . . . . . . . 4239 1 69 . 1 1 9 9 ALA CB C 13 21.590 . . . . . . . . . . . 4239 1 70 . 1 1 9 9 ALA N N 15 119.158 . . . . . . . . . . . 4239 1 71 . 1 1 10 10 THR H H 1 8.225 . . . . . . . . . . . 4239 1 72 . 1 1 10 10 THR N N 15 103.885 . . . . . . . . . . . 4239 1 73 . 1 1 11 11 PHE H H 1 6.492 . . . . . . . . . . . 4239 1 74 . 1 1 11 11 PHE HA H 1 5.085 . . . . . . . . . . . 4239 1 75 . 1 1 11 11 PHE HB2 H 1 3.170 . . . . . . . . . . . 4239 1 76 . 1 1 11 11 PHE HB3 H 1 3.170 . . . . . . . . . . . 4239 1 77 . 1 1 11 11 PHE HD1 H 1 7.041 . . . . . . . . . . . 4239 1 78 . 1 1 11 11 PHE HE1 H 1 6.789 . . . . . . . . . . . 4239 1 79 . 1 1 11 11 PHE C C 13 172.616 . . . . . . . . . . . 4239 1 80 . 1 1 11 11 PHE CA C 13 52.711 . . . . . . . . . . . 4239 1 81 . 1 1 11 11 PHE CB C 13 40.777 . . . . . . . . . . . 4239 1 82 . 1 1 11 11 PHE N N 15 112.880 . . . . . . . . . . . 4239 1 83 . 1 1 12 12 ASP H H 1 8.653 . . . . . . . . . . . 4239 1 84 . 1 1 12 12 ASP HA H 1 4.610 . . . . . . . . . . . 4239 1 85 . 1 1 12 12 ASP HB2 H 1 2.968 . . . . . . . . . . . 4239 1 86 . 1 1 12 12 ASP HB3 H 1 2.709 . . . . . . . . . . . 4239 1 87 . 1 1 12 12 ASP N N 15 116.467 . . . . . . . . . . . 4239 1 88 . 1 1 13 13 THR H H 1 7.066 . . . . . . . . . . . 4239 1 89 . 1 1 13 13 THR HA H 1 4.686 . . . . . . . . . . . 4239 1 90 . 1 1 13 13 THR HB H 1 4.468 . . . . . . . . . . . 4239 1 91 . 1 1 13 13 THR HG21 H 1 1.342 . . . . . . . . . . . 4239 1 92 . 1 1 13 13 THR HG22 H 1 1.342 . . . . . . . . . . . 4239 1 93 . 1 1 13 13 THR HG23 H 1 1.342 . . . . . . . . . . . 4239 1 94 . 1 1 13 13 THR N N 15 105.812 . . . . . . . . . . . 4239 1 95 . 1 1 14 14 GLU H H 1 8.732 . . . . . . . . . . . 4239 1 96 . 1 1 14 14 GLU HA H 1 4.439 . . . . . . . . . . . 4239 1 97 . 1 1 14 14 GLU HB2 H 1 2.076 . . . . . . . . . . . 4239 1 98 . 1 1 14 14 GLU HB3 H 1 1.965 . . . . . . . . . . . 4239 1 99 . 1 1 14 14 GLU HG2 H 1 2.292 . . . . . . . . . . . 4239 1 100 . 1 1 14 14 GLU HG3 H 1 2.292 . . . . . . . . . . . 4239 1 101 . 1 1 14 14 GLU C C 13 177.219 . . . . . . . . . . . 4239 1 102 . 1 1 14 14 GLU CA C 13 56.129 . . . . . . . . . . . 4239 1 103 . 1 1 14 14 GLU CB C 13 30.559 . . . . . . . . . . . 4239 1 104 . 1 1 14 14 GLU N N 15 116.748 . . . . . . . . . . . 4239 1 105 . 1 1 16 16 LEU HA H 1 4.681 . . . . . . . . . . . 4239 1 106 . 1 1 16 16 LEU C C 13 173.992 . . . . . . . . . . . 4239 1 107 . 1 1 16 16 LEU CA C 13 59.702 . . . . . . . . . . . 4239 1 108 . 1 1 17 17 GLU H H 1 8.745 . . . . . . . . . . . 4239 1 109 . 1 1 17 17 GLU HA H 1 3.873 . . . . . . . . . . . 4239 1 110 . 1 1 17 17 GLU HB2 H 1 1.987 . . . . . . . . . . . 4239 1 111 . 1 1 17 17 GLU HB3 H 1 1.865 . . . . . . . . . . . 4239 1 112 . 1 1 17 17 GLU HG2 H 1 2.313 . . . . . . . . . . . 4239 1 113 . 1 1 17 17 GLU HG3 H 1 2.235 . . . . . . . . . . . 4239 1 114 . 1 1 17 17 GLU C C 13 178.653 . . . . . . . . . . . 4239 1 115 . 1 1 17 17 GLU CA C 13 59.702 . . . . . . . . . . . 4239 1 116 . 1 1 17 17 GLU CB C 13 36.561 . . . . . . . . . . . 4239 1 117 . 1 1 17 17 GLU N N 15 113.238 . . . . . . . . . . . 4239 1 118 . 1 1 18 18 GLY H H 1 8.238 . . . . . . . . . . . 4239 1 119 . 1 1 18 18 GLY HA2 H 1 3.996 . . . . . . . . . . . 4239 1 120 . 1 1 18 18 GLY HA3 H 1 3.778 . . . . . . . . . . . 4239 1 121 . 1 1 18 18 GLY C C 13 175.094 . . . . . . . . . . . 4239 1 122 . 1 1 18 18 GLY CA C 13 46.961 . . . . . . . . . . . 4239 1 123 . 1 1 18 18 GLY N N 15 107.608 . . . . . . . . . . . 4239 1 124 . 1 1 19 19 GLN H H 1 8.417 . . . . . . . . . . . 4239 1 125 . 1 1 19 19 GLN HA H 1 3.980 . . . . . . . . . . . 4239 1 126 . 1 1 19 19 GLN HB2 H 1 2.249 . . . . . . . . . . . 4239 1 127 . 1 1 19 19 GLN HB3 H 1 2.249 . . . . . . . . . . . 4239 1 128 . 1 1 19 19 GLN HG2 H 1 2.613 . . . . . . . . . . . 4239 1 129 . 1 1 19 19 GLN HG3 H 1 2.440 . . . . . . . . . . . 4239 1 130 . 1 1 19 19 GLN C C 13 178.810 . . . . . . . . . . . 4239 1 131 . 1 1 19 19 GLN CA C 13 58.925 . . . . . . . . . . . 4239 1 132 . 1 1 19 19 GLN N N 15 118.730 . . . . . . . . . . . 4239 1 133 . 1 1 21 21 LYS H H 1 7.457 . . . . . . . . . . . 4239 1 134 . 1 1 21 21 LYS HA H 1 4.052 . . . . . . . . . . . 4239 1 135 . 1 1 21 21 LYS C C 13 178.542 . . . . . . . . . . . 4239 1 136 . 1 1 21 21 LYS CA C 13 60.168 . . . . . . . . . . . 4239 1 137 . 1 1 21 21 LYS N N 15 117.427 . . . . . . . . . . . 4239 1 138 . 1 1 22 22 ILE H H 1 7.829 . . . . . . . . . . . 4239 1 139 . 1 1 22 22 ILE HA H 1 3.883 . . . . . . . . . . . 4239 1 140 . 1 1 22 22 ILE C C 13 176.404 . . . . . . . . . . . 4239 1 141 . 1 1 22 22 ILE CA C 13 62.343 . . . . . . . . . . . 4239 1 142 . 1 1 22 22 ILE N N 15 114.656 . . . . . . . . . . . 4239 1 143 . 1 1 23 23 PHE H H 1 8.458 . . . . . . . . . . . 4239 1 144 . 1 1 23 23 PHE HA H 1 4.308 . . . . . . . . . . . 4239 1 145 . 1 1 23 23 PHE HB2 H 1 3.234 . . . . . . . . . . . 4239 1 146 . 1 1 23 23 PHE HB3 H 1 3.234 . . . . . . . . . . . 4239 1 147 . 1 1 23 23 PHE HD1 H 1 7.341 . . . . . . . . . . . 4239 1 148 . 1 1 23 23 PHE HE1 H 1 7.255 . . . . . . . . . . . 4239 1 149 . 1 1 23 23 PHE C C 13 178.086 . . . . . . . . . . . 4239 1 150 . 1 1 23 23 PHE CA C 13 60.945 . . . . . . . . . . . 4239 1 151 . 1 1 23 23 PHE CB C 13 38.968 . . . . . . . . . . . 4239 1 152 . 1 1 23 23 PHE N N 15 119.792 . . . . . . . . . . . 4239 1 153 . 1 1 24 24 ASN H H 1 8.854 . . . . . . . . . . . 4239 1 154 . 1 1 24 24 ASN HA H 1 4.319 . . . . . . . . . . . 4239 1 155 . 1 1 24 24 ASN HB2 H 1 3.090 . . . . . . . . . . . 4239 1 156 . 1 1 24 24 ASN HB3 H 1 2.846 . . . . . . . . . . . 4239 1 157 . 1 1 24 24 ASN C C 13 176.918 . . . . . . . . . . . 4239 1 158 . 1 1 24 24 ASN CA C 13 55.197 . . . . . . . . . . . 4239 1 159 . 1 1 24 24 ASN CB C 13 37.501 . . . . . . . . . . . 4239 1 160 . 1 1 24 24 ASN ND2 N 15 116.584 . . . . . . . . . . . 4239 1 161 . 1 1 25 25 ALA H H 1 8.037 . . . . . . . . . . . 4239 1 162 . 1 1 25 25 ALA HA H 1 4.017 . . . . . . . . . . . 4239 1 163 . 1 1 25 25 ALA HB1 H 1 1.633 . . . . . . . . . . . 4239 1 164 . 1 1 25 25 ALA HB2 H 1 1.633 . . . . . . . . . . . 4239 1 165 . 1 1 25 25 ALA HB3 H 1 1.633 . . . . . . . . . . . 4239 1 166 . 1 1 25 25 ALA C C 13 178.426 . . . . . . . . . . . 4239 1 167 . 1 1 25 25 ALA CA C 13 54.420 . . . . . . . . . . . 4239 1 168 . 1 1 25 25 ALA CB C 13 17.878 . . . . . . . . . . . 4239 1 169 . 1 1 25 25 ALA N N 15 119.808 . . . . . . . . . . . 4239 1 170 . 1 1 26 26 GLN H H 1 8.146 . . . . . . . . . . . 4239 1 171 . 1 1 26 26 GLN HA H 1 4.068 . . . . . . . . . . . 4239 1 172 . 1 1 26 26 GLN HB2 H 1 1.976 . . . . . . . . . . . 4239 1 173 . 1 1 26 26 GLN HB3 H 1 1.887 . . . . . . . . . . . 4239 1 174 . 1 1 26 26 GLN HG2 H 1 2.224 . . . . . . . . . . . 4239 1 175 . 1 1 26 26 GLN HG3 H 1 2.224 . . . . . . . . . . . 4239 1 176 . 1 1 26 26 GLN C C 13 177.062 . . . . . . . . . . . 4239 1 177 . 1 1 26 26 GLN CA C 13 57.682 . . . . . . . . . . . 4239 1 178 . 1 1 26 26 GLN CB C 13 34.277 . . . . . . . . . . . 4239 1 179 . 1 1 26 26 GLN N N 15 113.238 . . . . . . . . . . . 4239 1 180 . 1 1 27 27 THR H H 1 7.646 . . . . . . . . . . . 4239 1 181 . 1 1 27 27 THR HA H 1 4.180 . . . . . . . . . . . 4239 1 182 . 1 1 27 27 THR HG21 H 1 0.947 . . . . . . . . . . . 4239 1 183 . 1 1 27 27 THR HG22 H 1 0.947 . . . . . . . . . . . 4239 1 184 . 1 1 27 27 THR HG23 H 1 0.947 . . . . . . . . . . . 4239 1 185 . 1 1 27 27 THR N N 15 107.125 . . . . . . . . . . . 4239 1 186 . 1 1 28 28 GLY H H 1 7.762 . . . . . . . . . . . 4239 1 187 . 1 1 28 28 GLY HA2 H 1 4.039 . . . . . . . . . . . 4239 1 188 . 1 1 28 28 GLY HA3 H 1 3.835 . . . . . . . . . . . 4239 1 189 . 1 1 28 28 GLY C C 13 174.029 . . . . . . . . . . . 4239 1 190 . 1 1 28 28 GLY CA C 13 45.619 . . . . . . . . . . . 4239 1 191 . 1 1 28 28 GLY N N 15 107.072 . . . . . . . . . . . 4239 1 192 . 1 1 29 29 GLY H H 1 8.049 . . . . . . . . . . . 4239 1 193 . 1 1 29 29 GLY HA2 H 1 3.903 . . . . . . . . . . . 4239 1 194 . 1 1 29 29 GLY HA3 H 1 3.903 . . . . . . . . . . . 4239 1 195 . 1 1 29 29 GLY C C 13 173.464 . . . . . . . . . . . 4239 1 196 . 1 1 29 29 GLY CA C 13 45.457 . . . . . . . . . . . 4239 1 197 . 1 1 29 29 GLY N N 15 105.702 . . . . . . . . . . . 4239 1 198 . 1 1 30 30 GLY H H 1 8.220 . . . . . . . . . . . 4239 1 199 . 1 1 30 30 GLY HA2 H 1 3.957 . . . . . . . . . . . 4239 1 200 . 1 1 30 30 GLY HA3 H 1 3.740 . . . . . . . . . . . 4239 1 201 . 1 1 30 30 GLY C C 13 172.899 . . . . . . . . . . . 4239 1 202 . 1 1 30 30 GLY CA C 13 44.840 . . . . . . . . . . . 4239 1 203 . 1 1 30 30 GLY N N 15 105.422 . . . . . . . . . . . 4239 1 204 . 1 1 31 31 GLN H H 1 8.238 . . . . . . . . . . . 4239 1 205 . 1 1 31 31 GLN HA H 1 4.477 . . . . . . . . . . . 4239 1 206 . 1 1 31 31 GLN HB2 H 1 1.846 . . . . . . . . . . . 4239 1 207 . 1 1 31 31 GLN HB3 H 1 1.846 . . . . . . . . . . . 4239 1 208 . 1 1 31 31 GLN HG2 H 1 2.357 . . . . . . . . . . . 4239 1 209 . 1 1 31 31 GLN HG3 H 1 2.357 . . . . . . . . . . . 4239 1 210 . 1 1 31 31 GLN C C 13 174.992 . . . . . . . . . . . 4239 1 211 . 1 1 31 31 GLN CA C 13 54.886 . . . . . . . . . . . 4239 1 212 . 1 1 31 31 GLN CB C 13 33.889 . . . . . . . . . . . 4239 1 213 . 1 1 31 31 GLN N N 15 117.782 . . . . . . . . . . . 4239 1 214 . 1 1 32 32 SER H H 1 8.598 . . . . . . . . . . . 4239 1 215 . 1 1 32 32 SER HA H 1 4.996 . . . . . . . . . . . 4239 1 216 . 1 1 32 32 SER HB2 H 1 4.116 . . . . . . . . . . . 4239 1 217 . 1 1 32 32 SER HB3 H 1 3.872 . . . . . . . . . . . 4239 1 218 . 1 1 32 32 SER C C 13 175.685 . . . . . . . . . . . 4239 1 219 . 1 1 32 32 SER CA C 13 56.906 . . . . . . . . . . . 4239 1 220 . 1 1 32 32 SER CB C 13 63.782 . . . . . . . . . . . 4239 1 221 . 1 1 32 32 SER N N 15 113.602 . . . . . . . . . . . 4239 1 222 . 1 1 33 33 PHE H H 1 8.427 . . . . . . . . . . . 4239 1 223 . 1 1 33 33 PHE HA H 1 4.427 . . . . . . . . . . . 4239 1 224 . 1 1 33 33 PHE HB2 H 1 2.647 . . . . . . . . . . . 4239 1 225 . 1 1 33 33 PHE HB3 H 1 2.647 . . . . . . . . . . . 4239 1 226 . 1 1 33 33 PHE HD1 H 1 7.004 . . . . . . . . . . . 4239 1 227 . 1 1 33 33 PHE HE1 H 1 6.940 . . . . . . . . . . . 4239 1 228 . 1 1 33 33 PHE C C 13 175.661 . . . . . . . . . . . 4239 1 229 . 1 1 33 33 PHE CA C 13 58.148 . . . . . . . . . . . 4239 1 230 . 1 1 33 33 PHE CB C 13 38.319 . . . . . . . . . . . 4239 1 231 . 1 1 33 33 PHE N N 15 121.091 . . . . . . . . . . . 4239 1 232 . 1 1 34 34 LYS H H 1 8.018 . . . . . . . . . . . 4239 1 233 . 1 1 34 34 LYS HA H 1 3.909 . . . . . . . . . . . 4239 1 234 . 1 1 34 34 LYS HB2 H 1 1.768 . . . . . . . . . . . 4239 1 235 . 1 1 34 34 LYS HB3 H 1 1.709 . . . . . . . . . . . 4239 1 236 . 1 1 34 34 LYS HG2 H 1 1.326 . . . . . . . . . . . 4239 1 237 . 1 1 34 34 LYS HG3 H 1 1.326 . . . . . . . . . . . 4239 1 238 . 1 1 34 34 LYS C C 13 175.677 . . . . . . . . . . . 4239 1 239 . 1 1 34 34 LYS CA C 13 57.993 . . . . . . . . . . . 4239 1 240 . 1 1 34 34 LYS CB C 13 32.222 . . . . . . . . . . . 4239 1 241 . 1 1 34 34 LYS N N 15 113.655 . . . . . . . . . . . 4239 1 242 . 1 1 35 35 ASN H H 1 7.737 . . . . . . . . . . . 4239 1 243 . 1 1 35 35 ASN HA H 1 4.630 . . . . . . . . . . . 4239 1 244 . 1 1 35 35 ASN N N 15 112.293 . . . . . . . . . . . 4239 1 245 . 1 1 36 36 LEU HA H 1 4.681 . . . . . . . . . . . 4239 1 246 . 1 1 37 37 PRO HA H 1 4.384 . . . . . . . . . . . 4239 1 247 . 1 1 37 37 PRO HB2 H 1 2.301 . . . . . . . . . . . 4239 1 248 . 1 1 37 37 PRO HB3 H 1 1.968 . . . . . . . . . . . 4239 1 249 . 1 1 37 37 PRO HD2 H 1 3.651 . . . . . . . . . . . 4239 1 250 . 1 1 37 37 PRO HD3 H 1 3.980 . . . . . . . . . . . 4239 1 251 . 1 1 37 37 PRO C C 13 176.781 . . . . . . . . . . . 4239 1 252 . 1 1 37 37 PRO CA C 13 61.877 . . . . . . . . . . . 4239 1 253 . 1 1 38 38 ASP H H 1 8.798 . . . . . . . . . . . 4239 1 254 . 1 1 38 38 ASP HA H 1 4.248 . . . . . . . . . . . 4239 1 255 . 1 1 38 38 ASP HB2 H 1 2.502 . . . . . . . . . . . 4239 1 256 . 1 1 38 38 ASP HB3 H 1 2.690 . . . . . . . . . . . 4239 1 257 . 1 1 38 38 ASP C C 13 176.202 . . . . . . . . . . . 4239 1 258 . 1 1 38 38 ASP CA C 13 55.973 . . . . . . . . . . . 4239 1 259 . 1 1 38 38 ASP CB C 13 41.802 . . . . . . . . . . . 4239 1 260 . 1 1 38 38 ASP N N 15 120.220 . . . . . . . . . . . 4239 1 261 . 1 1 39 39 GLY H H 1 8.394 . . . . . . . . . . . 4239 1 262 . 1 1 39 39 GLY HA2 H 1 4.234 . . . . . . . . . . . 4239 1 263 . 1 1 39 39 GLY HA3 H 1 3.681 . . . . . . . . . . . 4239 1 264 . 1 1 39 39 GLY CA C 13 44.957 . . . . . . . . . . . 4239 1 265 . 1 1 39 39 GLY N N 15 112.703 . . . . . . . . . . . 4239 1 266 . 1 1 40 40 THR HA H 1 5.410 . . . . . . . . . . . 4239 1 267 . 1 1 40 40 THR HB H 1 3.765 . . . . . . . . . . . 4239 1 268 . 1 1 40 40 THR HG21 H 1 0.584 . . . . . . . . . . . 4239 1 269 . 1 1 40 40 THR HG22 H 1 0.584 . . . . . . . . . . . 4239 1 270 . 1 1 40 40 THR HG23 H 1 0.584 . . . . . . . . . . . 4239 1 271 . 1 1 41 41 ILE H H 1 9.666 . . . . . . . . . . . 4239 1 272 . 1 1 41 41 ILE N N 15 123.850 . . . . . . . . . . . 4239 1 273 . 1 1 42 42 ILE H H 1 9.337 . . . . . . . . . . . 4239 1 274 . 1 1 42 42 ILE HA H 1 4.165 . . . . . . . . . . . 4239 1 275 . 1 1 42 42 ILE C C 13 174.251 . . . . . . . . . . . 4239 1 276 . 1 1 42 42 ILE CA C 13 62.499 . . . . . . . . . . . 4239 1 277 . 1 1 42 42 ILE N N 15 126.398 . . . . . . . . . . . 4239 1 278 . 1 1 43 43 GLU H H 1 8.824 . . . . . . . . . . . 4239 1 279 . 1 1 43 43 GLU HA H 1 4.445 . . . . . . . . . . . 4239 1 280 . 1 1 43 43 GLU HB2 H 1 2.076 . . . . . . . . . . . 4239 1 281 . 1 1 43 43 GLU HB3 H 1 1.985 . . . . . . . . . . . 4239 1 282 . 1 1 43 43 GLU HG2 H 1 2.292 . . . . . . . . . . . 4239 1 283 . 1 1 43 43 GLU HG3 H 1 2.292 . . . . . . . . . . . 4239 1 284 . 1 1 43 43 GLU C C 13 173.723 . . . . . . . . . . . 4239 1 285 . 1 1 43 43 GLU CA C 13 56.129 . . . . . . . . . . . 4239 1 286 . 1 1 43 43 GLU CB C 13 30.559 . . . . . . . . . . . 4239 1 287 . 1 1 43 43 GLU N N 15 125.889 . . . . . . . . . . . 4239 1 288 . 1 1 44 44 ALA H H 1 9.202 . . . . . . . . . . . 4239 1 289 . 1 1 44 44 ALA HA H 1 4.860 . . . . . . . . . . . 4239 1 290 . 1 1 44 44 ALA HB1 H 1 0.897 . . . . . . . . . . . 4239 1 291 . 1 1 44 44 ALA HB2 H 1 0.897 . . . . . . . . . . . 4239 1 292 . 1 1 44 44 ALA HB3 H 1 0.897 . . . . . . . . . . . 4239 1 293 . 1 1 44 44 ALA C C 13 173.652 . . . . . . . . . . . 4239 1 294 . 1 1 44 44 ALA CA C 13 51.069 . . . . . . . . . . . 4239 1 295 . 1 1 44 44 ALA CB C 13 23.891 . . . . . . . . . . . 4239 1 296 . 1 1 44 44 ALA N N 15 129.665 . . . . . . . . . . . 4239 1 297 . 1 1 45 45 ASN H H 1 8.409 . . . . . . . . . . . 4239 1 298 . 1 1 45 45 ASN HA H 1 4.887 . . . . . . . . . . . 4239 1 299 . 1 1 45 45 ASN HB2 H 1 2.983 . . . . . . . . . . . 4239 1 300 . 1 1 45 45 ASN HB3 H 1 2.655 . . . . . . . . . . . 4239 1 301 . 1 1 45 45 ASN C C 13 174.681 . . . . . . . . . . . 4239 1 302 . 1 1 45 45 ASN CA C 13 51.779 . . . . . . . . . . . 4239 1 303 . 1 1 45 45 ASN CB C 13 40.609 . . . . . . . . . . . 4239 1 304 . 1 1 45 45 ASN N N 15 108.516 . . . . . . . . . . . 4239 1 305 . 1 1 46 46 ALA H H 1 7.744 . . . . . . . . . . . 4239 1 306 . 1 1 46 46 ALA HA H 1 4.946 . . . . . . . . . . . 4239 1 307 . 1 1 46 46 ALA HB1 H 1 1.412 . . . . . . . . . . . 4239 1 308 . 1 1 46 46 ALA HB2 H 1 1.412 . . . . . . . . . . . 4239 1 309 . 1 1 46 46 ALA HB3 H 1 1.412 . . . . . . . . . . . 4239 1 310 . 1 1 46 46 ALA C C 13 175.191 . . . . . . . . . . . 4239 1 311 . 1 1 46 46 ALA CA C 13 52.089 . . . . . . . . . . . 4239 1 312 . 1 1 46 46 ALA CB C 13 21.615 . . . . . . . . . . . 4239 1 313 . 1 1 46 46 ALA N N 15 114.026 . . . . . . . . . . . 4239 1 314 . 1 1 47 47 ILE H H 1 8.525 . . . . . . . . . . . 4239 1 315 . 1 1 47 47 ILE HA H 1 5.500 . . . . . . . . . . . 4239 1 316 . 1 1 47 47 ILE HB H 1 1.509 . . . . . . . . . . . 4239 1 317 . 1 1 47 47 ILE N N 15 116.211 . . . . . . . . . . . 4239 1 318 . 1 1 48 48 ALA H H 1 9.526 . . . . . . . . . . . 4239 1 319 . 1 1 48 48 ALA HA H 1 5.307 . . . . . . . . . . . 4239 1 320 . 1 1 48 48 ALA HB1 H 1 1.765 . . . . . . . . . . . 4239 1 321 . 1 1 48 48 ALA HB2 H 1 1.765 . . . . . . . . . . . 4239 1 322 . 1 1 48 48 ALA HB3 H 1 1.765 . . . . . . . . . . . 4239 1 323 . 1 1 48 48 ALA C C 13 173.773 . . . . . . . . . . . 4239 1 324 . 1 1 48 48 ALA CA C 13 51.157 . . . . . . . . . . . 4239 1 325 . 1 1 48 48 ALA CB C 13 24.504 . . . . . . . . . . . 4239 1 326 . 1 1 48 48 ALA N N 15 123.369 . . . . . . . . . . . 4239 1 327 . 1 1 49 49 GLN H H 1 9.318 . . . . . . . . . . . 4239 1 328 . 1 1 49 49 GLN HA H 1 5.917 . . . . . . . . . . . 4239 1 329 . 1 1 49 49 GLN HB2 H 1 2.070 . . . . . . . . . . . 4239 1 330 . 1 1 49 49 GLN HB3 H 1 2.070 . . . . . . . . . . . 4239 1 331 . 1 1 49 49 GLN HG2 H 1 2.306 . . . . . . . . . . . 4239 1 332 . 1 1 49 49 GLN HG3 H 1 2.306 . . . . . . . . . . . 4239 1 333 . 1 1 49 49 GLN C C 13 174.496 . . . . . . . . . . . 4239 1 334 . 1 1 49 49 GLN CA C 13 53.798 . . . . . . . . . . . 4239 1 335 . 1 1 49 49 GLN CB C 13 34.906 . . . . . . . . . . . 4239 1 336 . 1 1 49 49 GLN N N 15 115.282 . . . . . . . . . . . 4239 1 337 . 1 1 50 50 TYR H H 1 8.491 . . . . . . . . . . . 4239 1 338 . 1 1 50 50 TYR HA H 1 5.348 . . . . . . . . . . . 4239 1 339 . 1 1 50 50 TYR HB2 H 1 3.135 . . . . . . . . . . . 4239 1 340 . 1 1 50 50 TYR HB3 H 1 3.135 . . . . . . . . . . . 4239 1 341 . 1 1 50 50 TYR HD1 H 1 6.760 . . . . . . . . . . . 4239 1 342 . 1 1 50 50 TYR HE1 H 1 6.669 . . . . . . . . . . . 4239 1 343 . 1 1 50 50 TYR C C 13 171.513 . . . . . . . . . . . 4239 1 344 . 1 1 50 50 TYR CA C 13 55.197 . . . . . . . . . . . 4239 1 345 . 1 1 50 50 TYR CB C 13 40.193 . . . . . . . . . . . 4239 1 346 . 1 1 50 50 TYR N N 15 117.085 . . . . . . . . . . . 4239 1 347 . 1 1 51 51 LYS H H 1 8.952 . . . . . . . . . . . 4239 1 348 . 1 1 51 51 LYS HA H 1 5.117 . . . . . . . . . . . 4239 1 349 . 1 1 51 51 LYS HB2 H 1 1.805 . . . . . . . . . . . 4239 1 350 . 1 1 51 51 LYS HB3 H 1 1.805 . . . . . . . . . . . 4239 1 351 . 1 1 51 51 LYS HG2 H 1 1.433 . . . . . . . . . . . 4239 1 352 . 1 1 51 51 LYS HG3 H 1 1.353 . . . . . . . . . . . 4239 1 353 . 1 1 51 51 LYS HD2 H 1 1.585 . . . . . . . . . . . 4239 1 354 . 1 1 51 51 LYS HD3 H 1 1.513 . . . . . . . . . . . 4239 1 355 . 1 1 51 51 LYS C C 13 175.464 . . . . . . . . . . . 4239 1 356 . 1 1 51 51 LYS CA C 13 54.730 . . . . . . . . . . . 4239 1 357 . 1 1 51 51 LYS CB C 13 34.281 . . . . . . . . . . . 4239 1 358 . 1 1 51 51 LYS N N 15 116.976 . . . . . . . . . . . 4239 1 359 . 1 1 52 52 GLN H H 1 8.885 . . . . . . . . . . . 4239 1 360 . 1 1 52 52 GLN HA H 1 4.761 . . . . . . . . . . . 4239 1 361 . 1 1 52 52 GLN HB2 H 1 2.019 . . . . . . . . . . . 4239 1 362 . 1 1 52 52 GLN HB3 H 1 2.019 . . . . . . . . . . . 4239 1 363 . 1 1 52 52 GLN HG2 H 1 2.338 . . . . . . . . . . . 4239 1 364 . 1 1 52 52 GLN HG3 H 1 2.338 . . . . . . . . . . . 4239 1 365 . 1 1 52 52 GLN C C 13 174.073 . . . . . . . . . . . 4239 1 366 . 1 1 52 52 GLN CA C 13 54.730 . . . . . . . . . . . 4239 1 367 . 1 1 52 52 GLN CB C 13 33.558 . . . . . . . . . . . 4239 1 368 . 1 1 52 52 GLN N N 15 118.700 . . . . . . . . . . . 4239 1 369 . 1 1 53 53 VAL H H 1 8.623 . . . . . . . . . . . 4239 1 370 . 1 1 53 53 VAL HA H 1 4.432 . . . . . . . . . . . 4239 1 371 . 1 1 53 53 VAL HB H 1 2.067 . . . . . . . . . . . 4239 1 372 . 1 1 53 53 VAL HG11 H 1 0.980 . . . . . . . . . . . 4239 1 373 . 1 1 53 53 VAL HG12 H 1 0.980 . . . . . . . . . . . 4239 1 374 . 1 1 53 53 VAL HG13 H 1 0.980 . . . . . . . . . . . 4239 1 375 . 1 1 53 53 VAL HG21 H 1 0.937 . . . . . . . . . . . 4239 1 376 . 1 1 53 53 VAL HG22 H 1 0.937 . . . . . . . . . . . 4239 1 377 . 1 1 53 53 VAL HG23 H 1 0.937 . . . . . . . . . . . 4239 1 378 . 1 1 53 53 VAL C C 13 175.111 . . . . . . . . . . . 4239 1 379 . 1 1 53 53 VAL CA C 13 61.877 . . . . . . . . . . . 4239 1 380 . 1 1 53 53 VAL CB C 13 32.613 . . . . . . . . . . . 4239 1 381 . 1 1 53 53 VAL CG1 C 13 22.454 . . . . . . . . . . . 4239 1 382 . 1 1 53 53 VAL CG2 C 13 20.794 . . . . . . . . . . . 4239 1 383 . 1 1 53 53 VAL N N 15 121.526 . . . . . . . . . . . 4239 1 384 . 1 1 54 54 SER H H 1 8.561 . . . . . . . . . . . 4239 1 385 . 1 1 54 54 SER HA H 1 4.638 . . . . . . . . . . . 4239 1 386 . 1 1 54 54 SER HB2 H 1 3.873 . . . . . . . . . . . 4239 1 387 . 1 1 54 54 SER HB3 H 1 3.771 . . . . . . . . . . . 4239 1 388 . 1 1 54 54 SER C C 13 173.287 . . . . . . . . . . . 4239 1 389 . 1 1 54 54 SER CA C 13 57.216 . . . . . . . . . . . 4239 1 390 . 1 1 54 54 SER CB C 13 64.355 . . . . . . . . . . . 4239 1 391 . 1 1 54 54 SER N N 15 118.177 . . . . . . . . . . . 4239 1 392 . 1 1 55 55 ASP H H 1 8.537 . . . . . . . . . . . 4239 1 393 . 1 1 55 55 ASP HA H 1 4.767 . . . . . . . . . . . 4239 1 394 . 1 1 55 55 ASP HB2 H 1 2.836 . . . . . . . . . . . 4239 1 395 . 1 1 55 55 ASP HB3 H 1 2.711 . . . . . . . . . . . 4239 1 396 . 1 1 55 55 ASP C C 13 175.927 . . . . . . . . . . . 4239 1 397 . 1 1 55 55 ASP CA C 13 53.798 . . . . . . . . . . . 4239 1 398 . 1 1 55 55 ASP CB C 13 40.864 . . . . . . . . . . . 4239 1 399 . 1 1 55 55 ASP N N 15 120.702 . . . . . . . . . . . 4239 1 400 . 1 1 56 56 THR H H 1 8.018 . . . . . . . . . . . 4239 1 401 . 1 1 56 56 THR HA H 1 4.090 . . . . . . . . . . . 4239 1 402 . 1 1 56 56 THR HB H 1 3.960 . . . . . . . . . . . 4239 1 403 . 1 1 56 56 THR HG21 H 1 0.980 . . . . . . . . . . . 4239 1 404 . 1 1 56 56 THR HG22 H 1 0.980 . . . . . . . . . . . 4239 1 405 . 1 1 56 56 THR HG23 H 1 0.980 . . . . . . . . . . . 4239 1 406 . 1 1 56 56 THR N N 15 111.958 . . . . . . . . . . . 4239 1 407 . 1 1 57 57 TYR H H 1 8.336 . . . . . . . . . . . 4239 1 408 . 1 1 57 57 TYR HA H 1 4.577 . . . . . . . . . . . 4239 1 409 . 1 1 57 57 TYR HB2 H 1 3.214 . . . . . . . . . . . 4239 1 410 . 1 1 57 57 TYR HB3 H 1 2.967 . . . . . . . . . . . 4239 1 411 . 1 1 57 57 TYR HD1 H 1 7.145 . . . . . . . . . . . 4239 1 412 . 1 1 57 57 TYR HE1 H 1 6.854 . . . . . . . . . . . 4239 1 413 . 1 1 57 57 TYR C C 13 175.425 . . . . . . . . . . . 4239 1 414 . 1 1 57 57 TYR CA C 13 57.682 . . . . . . . . . . . 4239 1 415 . 1 1 57 57 TYR CB C 13 37.787 . . . . . . . . . . . 4239 1 416 . 1 1 57 57 TYR N N 15 118.793 . . . . . . . . . . . 4239 1 417 . 1 1 58 58 GLY H H 1 8.128 . . . . . . . . . . . 4239 1 418 . 1 1 58 58 GLY HA2 H 1 4.070 . . . . . . . . . . . 4239 1 419 . 1 1 58 58 GLY HA3 H 1 3.843 . . . . . . . . . . . 4239 1 420 . 1 1 58 58 GLY C C 13 172.899 . . . . . . . . . . . 4239 1 421 . 1 1 58 58 GLY CA C 13 45.346 . . . . . . . . . . . 4239 1 422 . 1 1 58 58 GLY N N 15 108.009 . . . . . . . . . . . 4239 1 423 . 1 1 59 59 ASP H H 1 8.153 . . . . . . . . . . . 4239 1 424 . 1 1 59 59 ASP HA H 1 4.615 . . . . . . . . . . . 4239 1 425 . 1 1 59 59 ASP HB2 H 1 2.703 . . . . . . . . . . . 4239 1 426 . 1 1 59 59 ASP HB3 H 1 2.620 . . . . . . . . . . . 4239 1 427 . 1 1 59 59 ASP C C 13 174.819 . . . . . . . . . . . 4239 1 428 . 1 1 59 59 ASP CA C 13 53.798 . . . . . . . . . . . 4239 1 429 . 1 1 59 59 ASP CB C 13 40.972 . . . . . . . . . . . 4239 1 430 . 1 1 59 59 ASP N N 15 118.689 . . . . . . . . . . . 4239 1 431 . 1 1 60 60 ALA H H 1 8.238 . . . . . . . . . . . 4239 1 432 . 1 1 60 60 ALA HA H 1 4.382 . . . . . . . . . . . 4239 1 433 . 1 1 60 60 ALA HB1 H 1 1.366 . . . . . . . . . . . 4239 1 434 . 1 1 60 60 ALA HB2 H 1 1.366 . . . . . . . . . . . 4239 1 435 . 1 1 60 60 ALA HB3 H 1 1.366 . . . . . . . . . . . 4239 1 436 . 1 1 60 60 ALA C C 13 176.646 . . . . . . . . . . . 4239 1 437 . 1 1 60 60 ALA CA C 13 52.245 . . . . . . . . . . . 4239 1 438 . 1 1 60 60 ALA CB C 13 18.505 . . . . . . . . . . . 4239 1 439 . 1 1 60 60 ALA N N 15 121.760 . . . . . . . . . . . 4239 1 440 . 1 1 61 61 LYS H H 1 8.238 . . . . . . . . . . . 4239 1 441 . 1 1 61 61 LYS HA H 1 4.415 . . . . . . . . . . . 4239 1 442 . 1 1 61 61 LYS HB2 H 1 1.846 . . . . . . . . . . . 4239 1 443 . 1 1 61 61 LYS HB3 H 1 1.846 . . . . . . . . . . . 4239 1 444 . 1 1 61 61 LYS HG2 H 1 1.426 . . . . . . . . . . . 4239 1 445 . 1 1 61 61 LYS HG3 H 1 1.426 . . . . . . . . . . . 4239 1 446 . 1 1 61 61 LYS HD2 H 1 1.702 . . . . . . . . . . . 4239 1 447 . 1 1 61 61 LYS HD3 H 1 1.702 . . . . . . . . . . . 4239 1 448 . 1 1 61 61 LYS HE2 H 1 3.009 . . . . . . . . . . . 4239 1 449 . 1 1 61 61 LYS HE3 H 1 3.009 . . . . . . . . . . . 4239 1 450 . 1 1 61 61 LYS C C 13 174.996 . . . . . . . . . . . 4239 1 451 . 1 1 61 61 LYS CA C 13 55.663 . . . . . . . . . . . 4239 1 452 . 1 1 61 61 LYS CB C 13 33.537 . . . . . . . . . . . 4239 1 453 . 1 1 61 61 LYS N N 15 117.735 . . . . . . . . . . . 4239 1 454 . 1 1 62 62 GLU H H 1 8.458 . . . . . . . . . . . 4239 1 455 . 1 1 62 62 GLU HA H 1 4.633 . . . . . . . . . . . 4239 1 456 . 1 1 62 62 GLU HB2 H 1 1.958 . . . . . . . . . . . 4239 1 457 . 1 1 62 62 GLU HB3 H 1 1.958 . . . . . . . . . . . 4239 1 458 . 1 1 62 62 GLU HG2 H 1 2.213 . . . . . . . . . . . 4239 1 459 . 1 1 62 62 GLU HG3 H 1 2.130 . . . . . . . . . . . 4239 1 460 . 1 1 62 62 GLU C C 13 175.070 . . . . . . . . . . . 4239 1 461 . 1 1 62 62 GLU CA C 13 55.663 . . . . . . . . . . . 4239 1 462 . 1 1 62 62 GLU CB C 13 36.579 . . . . . . . . . . . 4239 1 463 . 1 1 62 62 GLU N N 15 118.550 . . . . . . . . . . . 4239 1 464 . 1 1 63 63 GLU H H 1 8.531 . . . . . . . . . . . 4239 1 465 . 1 1 63 63 GLU HA H 1 4.674 . . . . . . . . . . . 4239 1 466 . 1 1 63 63 GLU HB2 H 1 1.878 . . . . . . . . . . . 4239 1 467 . 1 1 63 63 GLU HB3 H 1 1.878 . . . . . . . . . . . 4239 1 468 . 1 1 63 63 GLU HG2 H 1 2.221 . . . . . . . . . . . 4239 1 469 . 1 1 63 63 GLU HG3 H 1 2.221 . . . . . . . . . . . 4239 1 470 . 1 1 63 63 GLU C C 13 174.678 . . . . . . . . . . . 4239 1 471 . 1 1 63 63 GLU CA C 13 54.575 . . . . . . . . . . . 4239 1 472 . 1 1 63 63 GLU CB C 13 35.719 . . . . . . . . . . . 4239 1 473 . 1 1 63 63 GLU N N 15 119.979 . . . . . . . . . . . 4239 1 474 . 1 1 64 64 THR HA H 1 4.351 . . . . . . . . . . . 4239 1 475 . 1 1 64 64 THR HB H 1 3.842 . . . . . . . . . . . 4239 1 476 . 1 1 64 64 THR HG21 H 1 0.951 . . . . . . . . . . . 4239 1 477 . 1 1 64 64 THR HG22 H 1 0.951 . . . . . . . . . . . 4239 1 478 . 1 1 64 64 THR HG23 H 1 0.951 . . . . . . . . . . . 4239 1 479 . 1 1 66 66 THR HA H 1 4.813 . . . . . . . . . . . 4239 1 480 . 1 1 66 66 THR HB H 1 3.802 . . . . . . . . . . . 4239 1 481 . 1 1 66 66 THR HG21 H 1 0.960 . . . . . . . . . . . 4239 1 482 . 1 1 66 66 THR HG22 H 1 0.960 . . . . . . . . . . . 4239 1 483 . 1 1 66 66 THR HG23 H 1 0.960 . . . . . . . . . . . 4239 1 484 . 1 1 68 68 ILE H H 1 8.340 . . . . . . . . . . . 4239 1 485 . 1 1 68 68 ILE HA H 1 4.603 . . . . . . . . . . . 4239 1 486 . 1 1 68 68 ILE C C 13 174.791 . . . . . . . . . . . 4239 1 487 . 1 1 68 68 ILE CA C 13 61.566 . . . . . . . . . . . 4239 1 488 . 1 1 68 68 ILE CB C 13 20.939 . . . . . . . . . . . 4239 1 489 . 1 1 68 68 ILE N N 15 116.244 . . . . . . . . . . . 4239 1 490 . 1 1 69 69 PHE H H 1 8.409 . . . . . . . . . . . 4239 1 491 . 1 1 69 69 PHE HA H 1 5.030 . . . . . . . . . . . 4239 1 492 . 1 1 69 69 PHE HB2 H 1 3.425 . . . . . . . . . . . 4239 1 493 . 1 1 69 69 PHE HB3 H 1 3.155 . . . . . . . . . . . 4239 1 494 . 1 1 69 69 PHE C C 13 173.840 . . . . . . . . . . . 4239 1 495 . 1 1 69 69 PHE CA C 13 55.994 . . . . . . . . . . . 4239 1 496 . 1 1 69 69 PHE N N 15 122.881 . . . . . . . . . . . 4239 1 497 . 1 1 70 70 ALA H H 1 8.812 . . . . . . . . . . . 4239 1 498 . 1 1 70 70 ALA HA H 1 4.716 . . . . . . . . . . . 4239 1 499 . 1 1 70 70 ALA HB1 H 1 1.744 . . . . . . . . . . . 4239 1 500 . 1 1 70 70 ALA HB2 H 1 1.744 . . . . . . . . . . . 4239 1 501 . 1 1 70 70 ALA HB3 H 1 1.744 . . . . . . . . . . . 4239 1 502 . 1 1 70 70 ALA C C 13 178.276 . . . . . . . . . . . 4239 1 503 . 1 1 70 70 ALA CA C 13 51.623 . . . . . . . . . . . 4239 1 504 . 1 1 70 70 ALA CB C 13 20.896 . . . . . . . . . . . 4239 1 505 . 1 1 70 70 ALA N N 15 123.764 . . . . . . . . . . . 4239 1 506 . 1 1 71 71 ALA H H 1 9.140 . . . . . . . . . . . 4239 1 507 . 1 1 71 71 ALA HA H 1 4.141 . . . . . . . . . . . 4239 1 508 . 1 1 71 71 ALA HB1 H 1 1.296 . . . . . . . . . . . 4239 1 509 . 1 1 71 71 ALA HB2 H 1 1.296 . . . . . . . . . . . 4239 1 510 . 1 1 71 71 ALA HB3 H 1 1.296 . . . . . . . . . . . 4239 1 511 . 1 1 71 71 ALA C C 13 177.096 . . . . . . . . . . . 4239 1 512 . 1 1 71 71 ALA CA C 13 53.954 . . . . . . . . . . . 4239 1 513 . 1 1 71 71 ALA CB C 13 17.359 . . . . . . . . . . . 4239 1 514 . 1 1 71 71 ALA N N 15 122.826 . . . . . . . . . . . 4239 1 515 . 1 1 72 72 ASP H H 1 8.073 . . . . . . . . . . . 4239 1 516 . 1 1 72 72 ASP HA H 1 4.507 . . . . . . . . . . . 4239 1 517 . 1 1 72 72 ASP HB2 H 1 3.181 . . . . . . . . . . . 4239 1 518 . 1 1 72 72 ASP HB3 H 1 2.638 . . . . . . . . . . . 4239 1 519 . 1 1 72 72 ASP C C 13 176.270 . . . . . . . . . . . 4239 1 520 . 1 1 72 72 ASP CA C 13 53.177 . . . . . . . . . . . 4239 1 521 . 1 1 72 72 ASP CB C 13 39.458 . . . . . . . . . . . 4239 1 522 . 1 1 72 72 ASP N N 15 112.588 . . . . . . . . . . . 4239 1 523 . 1 1 73 73 GLY H H 1 7.963 . . . . . . . . . . . 4239 1 524 . 1 1 73 73 GLY HA2 H 1 4.458 . . . . . . . . . . . 4239 1 525 . 1 1 73 73 GLY HA3 H 1 3.713 . . . . . . . . . . . 4239 1 526 . 1 1 73 73 GLY C C 13 174.029 . . . . . . . . . . . 4239 1 527 . 1 1 73 73 GLY CA C 13 44.816 . . . . . . . . . . . 4239 1 528 . 1 1 73 73 GLY N N 15 105.568 . . . . . . . . . . . 4239 1 529 . 1 1 74 74 SER H H 1 8.323 . . . . . . . . . . . 4239 1 530 . 1 1 74 74 SER HA H 1 4.338 . . . . . . . . . . . 4239 1 531 . 1 1 74 74 SER HB2 H 1 3.846 . . . . . . . . . . . 4239 1 532 . 1 1 74 74 SER HB3 H 1 3.846 . . . . . . . . . . . 4239 1 533 . 1 1 74 74 SER C C 13 171.048 . . . . . . . . . . . 4239 1 534 . 1 1 74 74 SER CA C 13 59.081 . . . . . . . . . . . 4239 1 535 . 1 1 74 74 SER CB C 13 63.580 . . . . . . . . . . . 4239 1 536 . 1 1 74 74 SER N N 15 115.720 . . . . . . . . . . . 4239 1 537 . 1 1 75 75 LEU H H 1 8.116 . . . . . . . . . . . 4239 1 538 . 1 1 75 75 LEU HA H 1 5.070 . . . . . . . . . . . 4239 1 539 . 1 1 75 75 LEU N N 15 119.000 . . . . . . . . . . . 4239 1 540 . 1 1 76 76 TYR H H 1 8.433 . . . . . . . . . . . 4239 1 541 . 1 1 76 76 TYR HA H 1 5.212 . . . . . . . . . . . 4239 1 542 . 1 1 76 76 TYR HB2 H 1 2.630 . . . . . . . . . . . 4239 1 543 . 1 1 76 76 TYR HB3 H 1 2.630 . . . . . . . . . . . 4239 1 544 . 1 1 76 76 TYR C C 13 174.646 . . . . . . . . . . . 4239 1 545 . 1 1 76 76 TYR CA C 13 56.129 . . . . . . . . . . . 4239 1 546 . 1 1 76 76 TYR CB C 13 41.977 . . . . . . . . . . . 4239 1 547 . 1 1 76 76 TYR N N 15 117.250 . . . . . . . . . . . 4239 1 548 . 1 1 77 77 SER H H 1 8.690 . . . . . . . . . . . 4239 1 549 . 1 1 77 77 SER HA H 1 6.077 . . . . . . . . . . . 4239 1 550 . 1 1 77 77 SER HB2 H 1 3.556 . . . . . . . . . . . 4239 1 551 . 1 1 77 77 SER HB3 H 1 3.441 . . . . . . . . . . . 4239 1 552 . 1 1 77 77 SER C C 13 172.199 . . . . . . . . . . . 4239 1 553 . 1 1 77 77 SER CA C 13 56.750 . . . . . . . . . . . 4239 1 554 . 1 1 77 77 SER CB C 13 66.402 . . . . . . . . . . . 4239 1 555 . 1 1 77 77 SER N N 15 114.465 . . . . . . . . . . . 4239 1 556 . 1 1 78 78 ALA H H 1 8.783 . . . . . . . . . . . 4239 1 557 . 1 1 78 78 ALA HA H 1 4.591 . . . . . . . . . . . 4239 1 558 . 1 1 78 78 ALA HB1 H 1 0.887 . . . . . . . . . . . 4239 1 559 . 1 1 78 78 ALA HB2 H 1 0.887 . . . . . . . . . . . 4239 1 560 . 1 1 78 78 ALA HB3 H 1 0.887 . . . . . . . . . . . 4239 1 561 . 1 1 78 78 ALA C C 13 175.042 . . . . . . . . . . . 4239 1 562 . 1 1 78 78 ALA CA C 13 50.846 . . . . . . . . . . . 4239 1 563 . 1 1 78 78 ALA CB C 13 22.950 . . . . . . . . . . . 4239 1 564 . 1 1 78 78 ALA N N 15 120.421 . . . . . . . . . . . 4239 1 565 . 1 1 83 83 VAL H H 1 7.762 . . . . . . . . . . . 4239 1 566 . 1 1 83 83 VAL HA H 1 3.581 . . . . . . . . . . . 4239 1 567 . 1 1 83 83 VAL HB H 1 1.928 . . . . . . . . . . . 4239 1 568 . 1 1 83 83 VAL HG11 H 1 0.804 . . . . . . . . . . . 4239 1 569 . 1 1 83 83 VAL HG12 H 1 0.804 . . . . . . . . . . . 4239 1 570 . 1 1 83 83 VAL HG13 H 1 0.804 . . . . . . . . . . . 4239 1 571 . 1 1 83 83 VAL HG21 H 1 0.804 . . . . . . . . . . . 4239 1 572 . 1 1 83 83 VAL HG22 H 1 0.804 . . . . . . . . . . . 4239 1 573 . 1 1 83 83 VAL HG23 H 1 0.804 . . . . . . . . . . . 4239 1 574 . 1 1 83 83 VAL C C 13 175.925 . . . . . . . . . . . 4239 1 575 . 1 1 83 83 VAL CA C 13 66.227 . . . . . . . . . . . 4239 1 576 . 1 1 83 83 VAL CG1 C 13 20.952 . . . . . . . . . . . 4239 1 577 . 1 1 83 83 VAL CG2 C 13 20.952 . . . . . . . . . . . 4239 1 578 . 1 1 83 83 VAL N N 15 121.030 . . . . . . . . . . . 4239 1 579 . 1 1 84 84 ALA H H 1 8.378 . . . . . . . . . . . 4239 1 580 . 1 1 84 84 ALA HA H 1 3.720 . . . . . . . . . . . 4239 1 581 . 1 1 84 84 ALA HB1 H 1 1.500 . . . . . . . . . . . 4239 1 582 . 1 1 84 84 ALA HB2 H 1 1.500 . . . . . . . . . . . 4239 1 583 . 1 1 84 84 ALA HB3 H 1 1.500 . . . . . . . . . . . 4239 1 584 . 1 1 84 84 ALA C C 13 179.918 . . . . . . . . . . . 4239 1 585 . 1 1 84 84 ALA CA C 13 54.575 . . . . . . . . . . . 4239 1 586 . 1 1 84 84 ALA CB C 13 17.039 . . . . . . . . . . . 4239 1 587 . 1 1 84 84 ALA N N 15 118.997 . . . . . . . . . . . 4239 1 588 . 1 1 85 85 GLU H H 1 8.079 . . . . . . . . . . . 4239 1 589 . 1 1 85 85 GLU HA H 1 4.084 . . . . . . . . . . . 4239 1 590 . 1 1 85 85 GLU HB2 H 1 2.311 . . . . . . . . . . . 4239 1 591 . 1 1 85 85 GLU HB3 H 1 2.311 . . . . . . . . . . . 4239 1 592 . 1 1 85 85 GLU HG2 H 1 2.561 . . . . . . . . . . . 4239 1 593 . 1 1 85 85 GLU HG3 H 1 2.561 . . . . . . . . . . . 4239 1 594 . 1 1 85 85 GLU C C 13 178.023 . . . . . . . . . . . 4239 1 595 . 1 1 85 85 GLU CA C 13 58.925 . . . . . . . . . . . 4239 1 596 . 1 1 85 85 GLU CB C 13 29.307 . . . . . . . . . . . 4239 1 597 . 1 1 85 85 GLU CG C 13 36.425 . . . . . . . . . . . 4239 1 598 . 1 1 85 85 GLU N N 15 115.198 . . . . . . . . . . . 4239 1 599 . 1 1 86 86 ALA H H 1 7.530 . . . . . . . . . . . 4239 1 600 . 1 1 86 86 ALA HA H 1 4.373 . . . . . . . . . . . 4239 1 601 . 1 1 86 86 ALA HB1 H 1 1.736 . . . . . . . . . . . 4239 1 602 . 1 1 86 86 ALA HB2 H 1 1.736 . . . . . . . . . . . 4239 1 603 . 1 1 86 86 ALA HB3 H 1 1.736 . . . . . . . . . . . 4239 1 604 . 1 1 86 86 ALA C C 13 180.321 . . . . . . . . . . . 4239 1 605 . 1 1 86 86 ALA CA C 13 54.264 . . . . . . . . . . . 4239 1 606 . 1 1 86 86 ALA CB C 13 18.586 . . . . . . . . . . . 4239 1 607 . 1 1 86 86 ALA N N 15 118.634 . . . . . . . . . . . 4239 1 608 . 1 1 87 87 ALA H H 1 9.367 . . . . . . . . . . . 4239 1 609 . 1 1 87 87 ALA HA H 1 3.983 . . . . . . . . . . . 4239 1 610 . 1 1 87 87 ALA HB1 H 1 1.417 . . . . . . . . . . . 4239 1 611 . 1 1 87 87 ALA HB2 H 1 1.417 . . . . . . . . . . . 4239 1 612 . 1 1 87 87 ALA HB3 H 1 1.417 . . . . . . . . . . . 4239 1 613 . 1 1 87 87 ALA C C 13 177.378 . . . . . . . . . . . 4239 1 614 . 1 1 87 87 ALA CA C 13 54.264 . . . . . . . . . . . 4239 1 615 . 1 1 87 87 ALA CB C 13 18.997 . . . . . . . . . . . 4239 1 616 . 1 1 87 87 ALA N N 15 116.176 . . . . . . . . . . . 4239 1 617 . 1 1 88 88 SER H H 1 7.939 . . . . . . . . . . . 4239 1 618 . 1 1 88 88 SER HA H 1 3.917 . . . . . . . . . . . 4239 1 619 . 1 1 88 88 SER C C 13 176.404 . . . . . . . . . . . 4239 1 620 . 1 1 88 88 SER CA C 13 61.411 . . . . . . . . . . . 4239 1 621 . 1 1 88 88 SER CB C 13 62.497 . . . . . . . . . . . 4239 1 622 . 1 1 88 88 SER N N 15 110.449 . . . . . . . . . . . 4239 1 623 . 1 1 89 89 ASP H H 1 7.084 . . . . . . . . . . . 4239 1 624 . 1 1 89 89 ASP HA H 1 4.457 . . . . . . . . . . . 4239 1 625 . 1 1 89 89 ASP HB2 H 1 2.737 . . . . . . . . . . . 4239 1 626 . 1 1 89 89 ASP HB3 H 1 2.834 . . . . . . . . . . . 4239 1 627 . 1 1 89 89 ASP C C 13 178.084 . . . . . . . . . . . 4239 1 628 . 1 1 89 89 ASP CA C 13 56.750 . . . . . . . . . . . 4239 1 629 . 1 1 89 89 ASP CB C 13 40.211 . . . . . . . . . . . 4239 1 630 . 1 1 89 89 ASP N N 15 115.254 . . . . . . . . . . . 4239 1 631 . 1 1 90 90 LEU H H 1 9.416 . . . . . . . . . . . 4239 1 632 . 1 1 90 90 LEU HA H 1 3.761 . . . . . . . . . . . 4239 1 633 . 1 1 90 90 LEU HB2 H 1 1.861 . . . . . . . . . . . 4239 1 634 . 1 1 90 90 LEU HB3 H 1 1.861 . . . . . . . . . . . 4239 1 635 . 1 1 90 90 LEU HD11 H 1 0.931 . . . . . . . . . . . 4239 1 636 . 1 1 90 90 LEU HD12 H 1 0.931 . . . . . . . . . . . 4239 1 637 . 1 1 90 90 LEU HD13 H 1 0.931 . . . . . . . . . . . 4239 1 638 . 1 1 90 90 LEU HD21 H 1 0.931 . . . . . . . . . . . 4239 1 639 . 1 1 90 90 LEU HD22 H 1 0.931 . . . . . . . . . . . 4239 1 640 . 1 1 90 90 LEU HD23 H 1 0.931 . . . . . . . . . . . 4239 1 641 . 1 1 91 91 ILE H H 1 8.609 . . . . . . . . . . . 4239 1 642 . 1 1 91 91 ILE HA H 1 3.226 . . . . . . . . . . . 4239 1 643 . 1 1 91 91 ILE HB H 1 1.865 . . . . . . . . . . . 4239 1 644 . 1 1 91 91 ILE HD11 H 1 0.684 . . . . . . . . . . . 4239 1 645 . 1 1 91 91 ILE HD12 H 1 0.684 . . . . . . . . . . . 4239 1 646 . 1 1 91 91 ILE HD13 H 1 0.684 . . . . . . . . . . . 4239 1 647 . 1 1 91 91 ILE N N 15 116.441 . . . . . . . . . . . 4239 1 648 . 1 1 92 92 ASP H H 1 7.286 . . . . . . . . . . . 4239 1 649 . 1 1 92 92 ASP HA H 1 4.317 . . . . . . . . . . . 4239 1 650 . 1 1 92 92 ASP HB2 H 1 2.939 . . . . . . . . . . . 4239 1 651 . 1 1 92 92 ASP HB3 H 1 2.698 . . . . . . . . . . . 4239 1 652 . 1 1 92 92 ASP C C 13 177.136 . . . . . . . . . . . 4239 1 653 . 1 1 92 92 ASP CA C 13 57.061 . . . . . . . . . . . 4239 1 654 . 1 1 92 92 ASP CB C 13 39.334 . . . . . . . . . . . 4239 1 655 . 1 1 92 92 ASP N N 15 117.442 . . . . . . . . . . . 4239 1 656 . 1 1 93 93 LEU H H 1 7.719 . . . . . . . . . . . 4239 1 657 . 1 1 93 93 LEU N N 15 119.530 . . . . . . . . . . . 4239 1 658 . 1 1 94 94 VAL H H 1 8.433 . . . . . . . . . . . 4239 1 659 . 1 1 94 94 VAL N N 15 124.110 . . . . . . . . . . . 4239 1 660 . 1 1 96 96 ARG H H 1 8.122 . . . . . . . . . . . 4239 1 661 . 1 1 96 96 ARG HA H 1 4.017 . . . . . . . . . . . 4239 1 662 . 1 1 96 96 ARG HG2 H 1 1.407 . . . . . . . . . . . 4239 1 663 . 1 1 96 96 ARG HG3 H 1 1.407 . . . . . . . . . . . 4239 1 664 . 1 1 96 96 ARG HD2 H 1 3.014 . . . . . . . . . . . 4239 1 665 . 1 1 96 96 ARG HD3 H 1 3.014 . . . . . . . . . . . 4239 1 666 . 1 1 96 96 ARG C C 13 177.236 . . . . . . . . . . . 4239 1 667 . 1 1 96 96 ARG CA C 13 58.925 . . . . . . . . . . . 4239 1 668 . 1 1 96 96 ARG CB C 13 26.623 . . . . . . . . . . . 4239 1 669 . 1 1 96 96 ARG N N 15 120.940 . . . . . . . . . . . 4239 1 670 . 1 1 97 97 HIS H H 1 7.853 . . . . . . . . . . . 4239 1 671 . 1 1 97 97 HIS HA H 1 4.588 . . . . . . . . . . . 4239 1 672 . 1 1 97 97 HIS HB2 H 1 3.336 . . . . . . . . . . . 4239 1 673 . 1 1 97 97 HIS HB3 H 1 2.832 . . . . . . . . . . . 4239 1 674 . 1 1 97 97 HIS HD2 H 1 7.053 . . . . . . . . . . . 4239 1 675 . 1 1 97 97 HIS HE1 H 1 7.755 . . . . . . . . . . . 4239 1 676 . 1 1 97 97 HIS C C 13 172.505 . . . . . . . . . . . 4239 1 677 . 1 1 97 97 HIS CA C 13 56.129 . . . . . . . . . . . 4239 1 678 . 1 1 97 97 HIS CB C 13 30.628 . . . . . . . . . . . 4239 1 679 . 1 1 97 97 HIS N N 15 111.927 . . . . . . . . . . . 4239 1 680 . 1 1 98 98 LYS H H 1 7.835 . . . . . . . . . . . 4239 1 681 . 1 1 98 98 LYS HA H 1 4.014 . . . . . . . . . . . 4239 1 682 . 1 1 98 98 LYS HB2 H 1 1.800 . . . . . . . . . . . 4239 1 683 . 1 1 98 98 LYS HB3 H 1 1.800 . . . . . . . . . . . 4239 1 684 . 1 1 98 98 LYS HG2 H 1 1.443 . . . . . . . . . . . 4239 1 685 . 1 1 98 98 LYS HG3 H 1 1.443 . . . . . . . . . . . 4239 1 686 . 1 1 98 98 LYS HE2 H 1 3.101 . . . . . . . . . . . 4239 1 687 . 1 1 98 98 LYS HE3 H 1 3.101 . . . . . . . . . . . 4239 1 688 . 1 1 98 98 LYS C C 13 175.213 . . . . . . . . . . . 4239 1 689 . 1 1 98 98 LYS CA C 13 56.284 . . . . . . . . . . . 4239 1 690 . 1 1 98 98 LYS CB C 13 32.432 . . . . . . . . . . . 4239 1 691 . 1 1 98 98 LYS CG C 13 28.867 . . . . . . . . . . . 4239 1 692 . 1 1 98 98 LYS N N 15 116.232 . . . . . . . . . . . 4239 1 693 . 1 1 99 99 LEU H H 1 7.750 . . . . . . . . . . . 4239 1 694 . 1 1 99 99 LEU HA H 1 4.512 . . . . . . . . . . . 4239 1 695 . 1 1 99 99 LEU N N 15 114.780 . . . . . . . . . . . 4239 1 696 . 1 1 101 101 THR HA H 1 4.854 . . . . . . . . . . . 4239 1 697 . 1 1 101 101 THR HB H 1 4.049 . . . . . . . . . . . 4239 1 698 . 1 1 101 101 THR HG21 H 1 1.147 . . . . . . . . . . . 4239 1 699 . 1 1 101 101 THR HG22 H 1 1.147 . . . . . . . . . . . 4239 1 700 . 1 1 101 101 THR HG23 H 1 1.147 . . . . . . . . . . . 4239 1 701 . 1 1 102 102 PHE H H 1 8.244 . . . . . . . . . . . 4239 1 702 . 1 1 102 102 PHE HA H 1 4.957 . . . . . . . . . . . 4239 1 703 . 1 1 102 102 PHE HB2 H 1 3.338 . . . . . . . . . . . 4239 1 704 . 1 1 102 102 PHE HB3 H 1 2.944 . . . . . . . . . . . 4239 1 705 . 1 1 102 102 PHE HD1 H 1 6.919 . . . . . . . . . . . 4239 1 706 . 1 1 102 102 PHE HE1 H 1 6.688 . . . . . . . . . . . 4239 1 707 . 1 1 102 102 PHE C C 13 171.735 . . . . . . . . . . . 4239 1 708 . 1 1 102 102 PHE CA C 13 55.197 . . . . . . . . . . . 4239 1 709 . 1 1 102 102 PHE CB C 13 38.818 . . . . . . . . . . . 4239 1 710 . 1 1 102 102 PHE N N 15 117.040 . . . . . . . . . . . 4239 1 711 . 1 1 103 103 LYS H H 1 8.948 . . . . . . . . . . . 4239 1 712 . 1 1 103 103 LYS HA H 1 5.086 . . . . . . . . . . . 4239 1 713 . 1 1 103 103 LYS HG2 H 1 1.437 . . . . . . . . . . . 4239 1 714 . 1 1 103 103 LYS HG3 H 1 1.336 . . . . . . . . . . . 4239 1 715 . 1 1 103 103 LYS HD2 H 1 1.586 . . . . . . . . . . . 4239 1 716 . 1 1 103 103 LYS HD3 H 1 1.512 . . . . . . . . . . . 4239 1 717 . 1 1 103 103 LYS HE2 H 1 2.919 . . . . . . . . . . . 4239 1 718 . 1 1 103 103 LYS HE3 H 1 2.919 . . . . . . . . . . . 4239 1 719 . 1 1 103 103 LYS C C 13 174.557 . . . . . . . . . . . 4239 1 720 . 1 1 103 103 LYS CA C 13 55.041 . . . . . . . . . . . 4239 1 721 . 1 1 103 103 LYS CB C 13 34.207 . . . . . . . . . . . 4239 1 722 . 1 1 103 103 LYS N N 15 118.029 . . . . . . . . . . . 4239 1 723 . 1 1 104 104 VAL H H 1 8.885 . . . . . . . . . . . 4239 1 724 . 1 1 104 104 VAL HA H 1 4.754 . . . . . . . . . . . 4239 1 725 . 1 1 104 104 VAL HB H 1 1.985 . . . . . . . . . . . 4239 1 726 . 1 1 104 104 VAL HG11 H 1 0.986 . . . . . . . . . . . 4239 1 727 . 1 1 104 104 VAL HG12 H 1 0.986 . . . . . . . . . . . 4239 1 728 . 1 1 104 104 VAL HG13 H 1 0.986 . . . . . . . . . . . 4239 1 729 . 1 1 104 104 VAL HG21 H 1 0.888 . . . . . . . . . . . 4239 1 730 . 1 1 104 104 VAL HG22 H 1 0.888 . . . . . . . . . . . 4239 1 731 . 1 1 104 104 VAL HG23 H 1 0.888 . . . . . . . . . . . 4239 1 732 . 1 1 104 104 VAL C C 13 172.496 . . . . . . . . . . . 4239 1 733 . 1 1 104 104 VAL CA C 13 59.391 . . . . . . . . . . . 4239 1 734 . 1 1 104 104 VAL CB C 13 34.115 . . . . . . . . . . . 4239 1 735 . 1 1 104 104 VAL CG1 C 13 21.269 . . . . . . . . . . . 4239 1 736 . 1 1 104 104 VAL CG2 C 13 21.269 . . . . . . . . . . . 4239 1 737 . 1 1 104 104 VAL N N 15 117.957 . . . . . . . . . . . 4239 1 738 . 1 1 105 105 LYS H H 1 9.343 . . . . . . . . . . . 4239 1 739 . 1 1 105 105 LYS HA H 1 5.097 . . . . . . . . . . . 4239 1 740 . 1 1 105 105 LYS HD2 H 1 1.546 . . . . . . . . . . . 4239 1 741 . 1 1 105 105 LYS HD3 H 1 1.546 . . . . . . . . . . . 4239 1 742 . 1 1 105 105 LYS C C 13 174.496 . . . . . . . . . . . 4239 1 743 . 1 1 105 105 LYS CA C 13 53.798 . . . . . . . . . . . 4239 1 744 . 1 1 105 105 LYS CB C 13 35.547 . . . . . . . . . . . 4239 1 745 . 1 1 105 105 LYS N N 15 124.701 . . . . . . . . . . . 4239 1 746 . 1 1 106 106 VAL H H 1 8.738 . . . . . . . . . . . 4239 1 747 . 1 1 106 106 VAL N N 15 125.146 . . . . . . . . . . . 4239 1 748 . 1 1 115 115 ASN H H 1 7.792 . . . . . . . . . . . 4239 1 749 . 1 1 115 115 ASN HA H 1 4.663 . . . . . . . . . . . 4239 1 750 . 1 1 115 115 ASN N N 15 115.141 . . . . . . . . . . . 4239 1 751 . 1 1 117 117 TRP HE3 H 1 7.388 . . . . . . . . . . . 4239 1 752 . 1 1 117 117 TRP HZ2 H 1 7.224 . . . . . . . . . . . 4239 1 753 . 1 1 117 117 TRP HZ3 H 1 6.817 . . . . . . . . . . . 4239 1 754 . 1 1 117 117 TRP HH2 H 1 7.092 . . . . . . . . . . . 4239 1 755 . 1 1 118 118 PHE HA H 1 5.498 . . . . . . . . . . . 4239 1 756 . 1 1 118 118 PHE HB2 H 1 2.830 . . . . . . . . . . . 4239 1 757 . 1 1 118 118 PHE HB3 H 1 2.830 . . . . . . . . . . . 4239 1 758 . 1 1 118 118 PHE HD1 H 1 7.286 . . . . . . . . . . . 4239 1 759 . 1 1 118 118 PHE HE1 H 1 7.182 . . . . . . . . . . . 4239 1 760 . 1 1 118 118 PHE C C 13 173.966 . . . . . . . . . . . 4239 1 761 . 1 1 118 118 PHE CA C 13 55.818 . . . . . . . . . . . 4239 1 762 . 1 1 118 118 PHE CB C 13 42.664 . . . . . . . . . . . 4239 1 763 . 1 1 119 119 SER H H 1 9.337 . . . . . . . . . . . 4239 1 764 . 1 1 119 119 SER HA H 1 4.437 . . . . . . . . . . . 4239 1 765 . 1 1 119 119 SER HB2 H 1 3.856 . . . . . . . . . . . 4239 1 766 . 1 1 119 119 SER HB3 H 1 3.780 . . . . . . . . . . . 4239 1 767 . 1 1 119 119 SER C C 13 173.283 . . . . . . . . . . . 4239 1 768 . 1 1 119 119 SER CA C 13 57.993 . . . . . . . . . . . 4239 1 769 . 1 1 119 119 SER CB C 13 63.588 . . . . . . . . . . . 4239 1 770 . 1 1 119 119 SER N N 15 112.695 . . . . . . . . . . . 4239 1 stop_ save_