data_4726 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4726 _Entry.Title ; Structure of a Conserved Domain Common to the Transcription Factors TFIIS, elongin A, and CRSP70 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-27 _Entry.Accession_date 2000-04-27 _Entry.Last_release_date 2000-12-07 _Entry.Original_release_date 2000-12-07 _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 Valerie Booth . . . 4726 2 Chris Koth . . . 4726 3 Aled Edwards . . . 4726 4 Cheryl Arrowsmith . . . 4726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 4726 '15N chemical shifts' 79 4726 '1H chemical shifts' 515 4726 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 . . 2000-12-07 2000-04-27 original author . 4726 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4726 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20469488 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Booth, V., Koth, C.M., Edwards, A.M., and Arrowsmith, C.H., "Structure of a Conserved Domain Common to the Transcription Factors TFIIS, elongin A, and CRSP70," J. Biol. Chem. 275, 31266-31268 (2000). ; _Citation.Title ; Structure of a Conserved Domain Common to the Transcription Factors TFIIS, elongin A, and CRSP70 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume 275 _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 31266 _Citation.Page_last 31268 _Citation.Year 2000 _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 Valerie Booth . . . 4726 1 2 Chris Koth . M. . 4726 1 3 Aled Edwards . M. . 4726 1 4 Cheryl Arrowsmith . H. . 4726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TFIIS_domain_I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TFIIS_domain_I _Assembly.Entry_ID 4726 _Assembly.ID 1 _Assembly.Name 'TFIIS domain I' _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 . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4726 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 'TFIIS domain I' 1 $TFIIS_domain_I . . . native . . . . . 4726 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TFIIS domain I' abbreviation 4726 1 'TFIIS domain I' system 4726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TFIIS_domain_I _Entity.Sf_category entity _Entity.Sf_framecode TFIIS_domain_I _Entity.Entry_ID 4726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TFIIS domain I' _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 ; GSHMDSKEVLVHVKNLEKNK SNDAAVLEILHVLDKEFVPT EKLLRETKVGVEVNKFKKST NVEISKLVKKMISSWKDAIN KNKRSRQAQQHHQDHAPGNA EDKTTVGESVNGVQ ; _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 114 _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 PDB 1EO0 . "Conserved Domain Common To Transcription Factors Tfiis, Elongin A, Crsp70" . . . . . 67.54 77 100.00 100.00 1.00e-43 . . . . 4726 1 2 no PDB 1PQV . "Rna Polymerase Ii-Tfiis Complex" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 3 no DBJ BAA02046 . "transcriptional elongation factor S-II [Saccharomyces cerevisiae]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 4 no DBJ GAA23345 . "K7_Dst1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 5 no EMBL CAA96744 . "DST1 [Saccharomyces cerevisiae]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 6 no EMBL CAY79716 . "Dst1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.37 309 100.00 100.00 2.79e-70 . . . . 4726 1 7 no GB AHY79329 . "Dst1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 8 no GB AJR76067 . "Dst1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 9 no GB AJR76568 . "Dst1p [Saccharomyces cerevisiae YJM193]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 10 no GB AJR77066 . "Dst1p [Saccharomyces cerevisiae YJM195]" . . . . . 97.37 309 100.00 100.00 3.62e-70 . . . . 4726 1 11 no GB AJR77564 . "Dst1p [Saccharomyces cerevisiae YJM244]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 12 no REF NP_011472 . "Dst1p [Saccharomyces cerevisiae S288c]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 13 no SP P07273 . "RecName: Full=Transcription elongation factor S-II; AltName: Full=DNA strand transfer protein alpha; Short=STP-alpha; AltName: " . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 14 no TPG DAA08057 . "TPA: Dst1p [Saccharomyces cerevisiae S288c]" . . . . . 97.37 309 100.00 100.00 2.98e-70 . . . . 4726 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TFIIS domain I' abbreviation 4726 1 'TFIIS domain I' common 4726 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 . GLY . 4726 1 2 . SER . 4726 1 3 . HIS . 4726 1 4 . MET . 4726 1 5 . ASP . 4726 1 6 . SER . 4726 1 7 . LYS . 4726 1 8 . GLU . 4726 1 9 . VAL . 4726 1 10 . LEU . 4726 1 11 . VAL . 4726 1 12 . HIS . 4726 1 13 . VAL . 4726 1 14 . LYS . 4726 1 15 . ASN . 4726 1 16 . LEU . 4726 1 17 . GLU . 4726 1 18 . LYS . 4726 1 19 . ASN . 4726 1 20 . LYS . 4726 1 21 . SER . 4726 1 22 . ASN . 4726 1 23 . ASP . 4726 1 24 . ALA . 4726 1 25 . ALA . 4726 1 26 . VAL . 4726 1 27 . LEU . 4726 1 28 . GLU . 4726 1 29 . ILE . 4726 1 30 . LEU . 4726 1 31 . HIS . 4726 1 32 . VAL . 4726 1 33 . LEU . 4726 1 34 . ASP . 4726 1 35 . LYS . 4726 1 36 . GLU . 4726 1 37 . PHE . 4726 1 38 . VAL . 4726 1 39 . PRO . 4726 1 40 . THR . 4726 1 41 . GLU . 4726 1 42 . LYS . 4726 1 43 . LEU . 4726 1 44 . LEU . 4726 1 45 . ARG . 4726 1 46 . GLU . 4726 1 47 . THR . 4726 1 48 . LYS . 4726 1 49 . VAL . 4726 1 50 . GLY . 4726 1 51 . VAL . 4726 1 52 . GLU . 4726 1 53 . VAL . 4726 1 54 . ASN . 4726 1 55 . LYS . 4726 1 56 . PHE . 4726 1 57 . LYS . 4726 1 58 . LYS . 4726 1 59 . SER . 4726 1 60 . THR . 4726 1 61 . ASN . 4726 1 62 . VAL . 4726 1 63 . GLU . 4726 1 64 . ILE . 4726 1 65 . SER . 4726 1 66 . LYS . 4726 1 67 . LEU . 4726 1 68 . VAL . 4726 1 69 . LYS . 4726 1 70 . LYS . 4726 1 71 . MET . 4726 1 72 . ILE . 4726 1 73 . SER . 4726 1 74 . SER . 4726 1 75 . TRP . 4726 1 76 . LYS . 4726 1 77 . ASP . 4726 1 78 . ALA . 4726 1 79 . ILE . 4726 1 80 . ASN . 4726 1 81 . LYS . 4726 1 82 . ASN . 4726 1 83 . LYS . 4726 1 84 . ARG . 4726 1 85 . SER . 4726 1 86 . ARG . 4726 1 87 . GLN . 4726 1 88 . ALA . 4726 1 89 . GLN . 4726 1 90 . GLN . 4726 1 91 . HIS . 4726 1 92 . HIS . 4726 1 93 . GLN . 4726 1 94 . ASP . 4726 1 95 . HIS . 4726 1 96 . ALA . 4726 1 97 . PRO . 4726 1 98 . GLY . 4726 1 99 . ASN . 4726 1 100 . ALA . 4726 1 101 . GLU . 4726 1 102 . ASP . 4726 1 103 . LYS . 4726 1 104 . THR . 4726 1 105 . THR . 4726 1 106 . VAL . 4726 1 107 . GLY . 4726 1 108 . GLU . 4726 1 109 . SER . 4726 1 110 . VAL . 4726 1 111 . ASN . 4726 1 112 . GLY . 4726 1 113 . VAL . 4726 1 114 . GLN . 4726 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 . GLY 1 1 4726 1 . SER 2 2 4726 1 . HIS 3 3 4726 1 . MET 4 4 4726 1 . ASP 5 5 4726 1 . SER 6 6 4726 1 . LYS 7 7 4726 1 . GLU 8 8 4726 1 . VAL 9 9 4726 1 . LEU 10 10 4726 1 . VAL 11 11 4726 1 . HIS 12 12 4726 1 . VAL 13 13 4726 1 . LYS 14 14 4726 1 . ASN 15 15 4726 1 . LEU 16 16 4726 1 . GLU 17 17 4726 1 . LYS 18 18 4726 1 . ASN 19 19 4726 1 . LYS 20 20 4726 1 . SER 21 21 4726 1 . ASN 22 22 4726 1 . ASP 23 23 4726 1 . ALA 24 24 4726 1 . ALA 25 25 4726 1 . VAL 26 26 4726 1 . LEU 27 27 4726 1 . GLU 28 28 4726 1 . ILE 29 29 4726 1 . LEU 30 30 4726 1 . HIS 31 31 4726 1 . VAL 32 32 4726 1 . LEU 33 33 4726 1 . ASP 34 34 4726 1 . LYS 35 35 4726 1 . GLU 36 36 4726 1 . PHE 37 37 4726 1 . VAL 38 38 4726 1 . PRO 39 39 4726 1 . THR 40 40 4726 1 . GLU 41 41 4726 1 . LYS 42 42 4726 1 . LEU 43 43 4726 1 . LEU 44 44 4726 1 . ARG 45 45 4726 1 . GLU 46 46 4726 1 . THR 47 47 4726 1 . LYS 48 48 4726 1 . VAL 49 49 4726 1 . GLY 50 50 4726 1 . VAL 51 51 4726 1 . GLU 52 52 4726 1 . VAL 53 53 4726 1 . ASN 54 54 4726 1 . LYS 55 55 4726 1 . PHE 56 56 4726 1 . LYS 57 57 4726 1 . LYS 58 58 4726 1 . SER 59 59 4726 1 . THR 60 60 4726 1 . ASN 61 61 4726 1 . VAL 62 62 4726 1 . GLU 63 63 4726 1 . ILE 64 64 4726 1 . SER 65 65 4726 1 . LYS 66 66 4726 1 . LEU 67 67 4726 1 . VAL 68 68 4726 1 . LYS 69 69 4726 1 . LYS 70 70 4726 1 . MET 71 71 4726 1 . ILE 72 72 4726 1 . SER 73 73 4726 1 . SER 74 74 4726 1 . TRP 75 75 4726 1 . LYS 76 76 4726 1 . ASP 77 77 4726 1 . ALA 78 78 4726 1 . ILE 79 79 4726 1 . ASN 80 80 4726 1 . LYS 81 81 4726 1 . ASN 82 82 4726 1 . LYS 83 83 4726 1 . ARG 84 84 4726 1 . SER 85 85 4726 1 . ARG 86 86 4726 1 . GLN 87 87 4726 1 . ALA 88 88 4726 1 . GLN 89 89 4726 1 . GLN 90 90 4726 1 . HIS 91 91 4726 1 . HIS 92 92 4726 1 . GLN 93 93 4726 1 . ASP 94 94 4726 1 . HIS 95 95 4726 1 . ALA 96 96 4726 1 . PRO 97 97 4726 1 . GLY 98 98 4726 1 . ASN 99 99 4726 1 . ALA 100 100 4726 1 . GLU 101 101 4726 1 . ASP 102 102 4726 1 . LYS 103 103 4726 1 . THR 104 104 4726 1 . THR 105 105 4726 1 . VAL 106 106 4726 1 . GLY 107 107 4726 1 . GLU 108 108 4726 1 . SER 109 109 4726 1 . VAL 110 110 4726 1 . ASN 111 111 4726 1 . GLY 112 112 4726 1 . VAL 113 113 4726 1 . GLN 114 114 4726 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 4726 _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 $TFIIS_domain_I . 4932 . . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4726 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 4726 _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 $TFIIS_domain_I . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4726 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4726 _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 'TFIIS domain I' . . . 1 $TFIIS_domain_I . . . . . mM . . . . 4726 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4726 _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 7.5 0.1 n/a 4726 1 temperature 298 0.2 K 4726 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4726 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4726 _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 unknown unknown . 0 'spectrometer information not available' . . 4726 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 4726 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4726 _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 . . . . . . . . . . . . . . . . . . . . 4726 1 H 1 . . . . . . . . . . . . . . . . . . . . 4726 1 N 15 . . . . . . . . . . . . . . . . . . . . 4726 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_cs_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_1 _Assigned_chem_shift_list.Entry_ID 4726 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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_1 . 4726 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 4 4 MET N N 15 122.80 . . . . . . . . . . . 4726 1 2 . 1 1 4 4 MET H H 1 8.16 . . . . . . . . . . . 4726 1 3 . 1 1 4 4 MET CA C 13 56.70 . . . . . . . . . . . 4726 1 4 . 1 1 4 4 MET CB C 13 34.70 . . . . . . . . . . . 4726 1 5 . 1 1 4 4 MET HA H 1 4.43 . . . . . . . . . . . 4726 1 6 . 1 1 4 4 MET HB2 H 1 2.13 . . . . . . . . . . . 4726 1 7 . 1 1 4 4 MET HB3 H 1 2.13 . . . . . . . . . . . 4726 1 8 . 1 1 4 4 MET CG C 13 31.80 . . . . . . . . . . . 4726 1 9 . 1 1 4 4 MET HG2 H 1 2.69 . . . . . . . . . . . 4726 1 10 . 1 1 4 4 MET HG3 H 1 2.69 . . . . . . . . . . . 4726 1 11 . 1 1 5 5 ASP N N 15 126.30 . . . . . . . . . . . 4726 1 12 . 1 1 5 5 ASP H H 1 8.70 . . . . . . . . . . . 4726 1 13 . 1 1 5 5 ASP CA C 13 52.70 . . . . . . . . . . . 4726 1 14 . 1 1 5 5 ASP CB C 13 42.70 . . . . . . . . . . . 4726 1 15 . 1 1 5 5 ASP HA H 1 4.87 . . . . . . . . . . . 4726 1 16 . 1 1 5 5 ASP HB3 H 1 2.86 . . . . . . . . . . . 4726 1 17 . 1 1 5 5 ASP HB2 H 1 3.08 . . . . . . . . . . . 4726 1 18 . 1 1 6 6 SER N N 15 116.30 . . . . . . . . . . . 4726 1 19 . 1 1 6 6 SER H H 1 8.71 . . . . . . . . . . . 4726 1 20 . 1 1 6 6 SER CA C 13 62.60 . . . . . . . . . . . 4726 1 21 . 1 1 6 6 SER CB C 13 62.60 . . . . . . . . . . . 4726 1 22 . 1 1 6 6 SER HA H 1 3.84 . . . . . . . . . . . 4726 1 23 . 1 1 6 6 SER HB2 H 1 3.91 . . . . . . . . . . . 4726 1 24 . 1 1 6 6 SER HB3 H 1 3.91 . . . . . . . . . . . 4726 1 25 . 1 1 7 7 LYS N N 15 119.80 . . . . . . . . . . . 4726 1 26 . 1 1 7 7 LYS H H 1 8.06 . . . . . . . . . . . 4726 1 27 . 1 1 7 7 LYS CA C 13 59.60 . . . . . . . . . . . 4726 1 28 . 1 1 7 7 LYS CB C 13 31.70 . . . . . . . . . . . 4726 1 29 . 1 1 7 7 LYS HA H 1 4.00 . . . . . . . . . . . 4726 1 30 . 1 1 7 7 LYS HB3 H 1 1.86 . . . . . . . . . . . 4726 1 31 . 1 1 7 7 LYS HB2 H 1 1.99 . . . . . . . . . . . 4726 1 32 . 1 1 7 7 LYS CG C 13 25.00 . . . . . . . . . . . 4726 1 33 . 1 1 7 7 LYS HG3 H 1 1.53 . . . . . . . . . . . 4726 1 34 . 1 1 7 7 LYS HG2 H 1 1.66 . . . . . . . . . . . 4726 1 35 . 1 1 7 7 LYS CD C 13 29.10 . . . . . . . . . . . 4726 1 36 . 1 1 7 7 LYS CE C 13 42.00 . . . . . . . . . . . 4726 1 37 . 1 1 7 7 LYS HE3 H 1 2.99 . . . . . . . . . . . 4726 1 38 . 1 1 7 7 LYS HE2 H 1 3.04 . . . . . . . . . . . 4726 1 39 . 1 1 8 8 GLU N N 15 119.80 . . . . . . . . . . . 4726 1 40 . 1 1 8 8 GLU H H 1 7.78 . . . . . . . . . . . 4726 1 41 . 1 1 8 8 GLU CA C 13 59.10 . . . . . . . . . . . 4726 1 42 . 1 1 8 8 GLU CB C 13 29.50 . . . . . . . . . . . 4726 1 43 . 1 1 8 8 GLU HA H 1 4.06 . . . . . . . . . . . 4726 1 44 . 1 1 8 8 GLU HB3 H 1 2.11 . . . . . . . . . . . 4726 1 45 . 1 1 8 8 GLU HB2 H 1 2.29 . . . . . . . . . . . 4726 1 46 . 1 1 8 8 GLU CG C 13 36.60 . . . . . . . . . . . 4726 1 47 . 1 1 8 8 GLU HG3 H 1 2.30 . . . . . . . . . . . 4726 1 48 . 1 1 8 8 GLU HG2 H 1 2.41 . . . . . . . . . . . 4726 1 49 . 1 1 9 9 VAL N N 15 119.40 . . . . . . . . . . . 4726 1 50 . 1 1 9 9 VAL H H 1 8.16 . . . . . . . . . . . 4726 1 51 . 1 1 9 9 VAL CA C 13 67.00 . . . . . . . . . . . 4726 1 52 . 1 1 9 9 VAL CB C 13 31.50 . . . . . . . . . . . 4726 1 53 . 1 1 9 9 VAL HA H 1 3.57 . . . . . . . . . . . 4726 1 54 . 1 1 9 9 VAL HB H 1 2.26 . . . . . . . . . . . 4726 1 55 . 1 1 9 9 VAL CG1 C 13 21.30 . . . . . . . . . . . 4726 1 56 . 1 1 9 9 VAL CG2 C 13 23.40 . . . . . . . . . . . 4726 1 57 . 1 1 9 9 VAL HG11 H 1 0.75 . . . . . . . . . . . 4726 1 58 . 1 1 9 9 VAL HG12 H 1 0.75 . . . . . . . . . . . 4726 1 59 . 1 1 9 9 VAL HG13 H 1 0.75 . . . . . . . . . . . 4726 1 60 . 1 1 9 9 VAL HG21 H 1 1.06 . . . . . . . . . . . 4726 1 61 . 1 1 9 9 VAL HG22 H 1 1.06 . . . . . . . . . . . 4726 1 62 . 1 1 9 9 VAL HG23 H 1 1.06 . . . . . . . . . . . 4726 1 63 . 1 1 10 10 LEU N N 15 117.80 . . . . . . . . . . . 4726 1 64 . 1 1 10 10 LEU H H 1 8.13 . . . . . . . . . . . 4726 1 65 . 1 1 10 10 LEU CA C 13 58.30 . . . . . . . . . . . 4726 1 66 . 1 1 10 10 LEU CB C 13 41.70 . . . . . . . . . . . 4726 1 67 . 1 1 10 10 LEU HA H 1 3.99 . . . . . . . . . . . 4726 1 68 . 1 1 10 10 LEU HB3 H 1 1.56 . . . . . . . . . . . 4726 1 69 . 1 1 10 10 LEU HB2 H 1 1.99 . . . . . . . . . . . 4726 1 70 . 1 1 10 10 LEU CD1 C 13 25.10 . . . . . . . . . . . 4726 1 71 . 1 1 10 10 LEU HG H 1 1.86 . . . . . . . . . . . 4726 1 72 . 1 1 10 10 LEU CG C 13 24.30 . . . . . . . . . . . 4726 1 73 . 1 1 10 10 LEU HD11 H 1 0.95 . . . . . . . . . . . 4726 1 74 . 1 1 10 10 LEU HD12 H 1 0.95 . . . . . . . . . . . 4726 1 75 . 1 1 10 10 LEU HD13 H 1 0.95 . . . . . . . . . . . 4726 1 76 . 1 1 11 11 VAL N N 15 121.00 . . . . . . . . . . . 4726 1 77 . 1 1 11 11 VAL H H 1 7.31 . . . . . . . . . . . 4726 1 78 . 1 1 11 11 VAL CA C 13 66.60 . . . . . . . . . . . 4726 1 79 . 1 1 11 11 VAL CB C 13 31.40 . . . . . . . . . . . 4726 1 80 . 1 1 11 11 VAL HA H 1 3.59 . . . . . . . . . . . 4726 1 81 . 1 1 11 11 VAL HB H 1 2.08 . . . . . . . . . . . 4726 1 82 . 1 1 11 11 VAL CG1 C 13 21.00 . . . . . . . . . . . 4726 1 83 . 1 1 11 11 VAL HG11 H 1 0.76 . . . . . . . . . . . 4726 1 84 . 1 1 11 11 VAL HG12 H 1 0.76 . . . . . . . . . . . 4726 1 85 . 1 1 11 11 VAL HG13 H 1 0.76 . . . . . . . . . . . 4726 1 86 . 1 1 11 11 VAL CG2 C 13 22.50 . . . . . . . . . . . 4726 1 87 . 1 1 11 11 VAL HG21 H 1 1.06 . . . . . . . . . . . 4726 1 88 . 1 1 11 11 VAL HG22 H 1 1.06 . . . . . . . . . . . 4726 1 89 . 1 1 11 11 VAL HG23 H 1 1.06 . . . . . . . . . . . 4726 1 90 . 1 1 12 12 HIS N N 15 119.30 . . . . . . . . . . . 4726 1 91 . 1 1 12 12 HIS H H 1 7.46 . . . . . . . . . . . 4726 1 92 . 1 1 12 12 HIS CA C 13 59.90 . . . . . . . . . . . 4726 1 93 . 1 1 12 12 HIS CB C 13 30.80 . . . . . . . . . . . 4726 1 94 . 1 1 12 12 HIS HA H 1 4.63 . . . . . . . . . . . 4726 1 95 . 1 1 12 12 HIS HB3 H 1 2.86 . . . . . . . . . . . 4726 1 96 . 1 1 12 12 HIS HB2 H 1 3.27 . . . . . . . . . . . 4726 1 97 . 1 1 12 12 HIS HD2 H 1 6.91 . . . . . . . . . . . 4726 1 98 . 1 1 12 12 HIS HE1 H 1 7.72 . . . . . . . . . . . 4726 1 99 . 1 1 13 13 VAL N N 15 119.00 . . . . . . . . . . . 4726 1 100 . 1 1 13 13 VAL H H 1 8.66 . . . . . . . . . . . 4726 1 101 . 1 1 13 13 VAL CA C 13 67.40 . . . . . . . . . . . 4726 1 102 . 1 1 13 13 VAL CB C 13 31.60 . . . . . . . . . . . 4726 1 103 . 1 1 13 13 VAL HA H 1 3.59 . . . . . . . . . . . 4726 1 104 . 1 1 13 13 VAL HB H 1 2.30 . . . . . . . . . . . 4726 1 105 . 1 1 13 13 VAL CG1 C 13 21.60 . . . . . . . . . . . 4726 1 106 . 1 1 13 13 VAL HG11 H 1 1.04 . . . . . . . . . . . 4726 1 107 . 1 1 13 13 VAL HG12 H 1 1.04 . . . . . . . . . . . 4726 1 108 . 1 1 13 13 VAL HG13 H 1 1.04 . . . . . . . . . . . 4726 1 109 . 1 1 14 14 LYS N N 15 120.10 . . . . . . . . . . . 4726 1 110 . 1 1 14 14 LYS H H 1 8.11 . . . . . . . . . . . 4726 1 111 . 1 1 14 14 LYS CA C 13 59.10 . . . . . . . . . . . 4726 1 112 . 1 1 14 14 LYS CB C 13 31.70 . . . . . . . . . . . 4726 1 113 . 1 1 14 14 LYS HA H 1 4.24 . . . . . . . . . . . 4726 1 114 . 1 1 14 14 LYS HB3 H 1 1.98 . . . . . . . . . . . 4726 1 115 . 1 1 14 14 LYS HB2 H 1 2.03 . . . . . . . . . . . 4726 1 116 . 1 1 14 14 LYS HG3 H 1 1.74 . . . . . . . . . . . 4726 1 117 . 1 1 15 15 ASN N N 15 119.70 . . . . . . . . . . . 4726 1 118 . 1 1 15 15 ASN H H 1 8.45 . . . . . . . . . . . 4726 1 119 . 1 1 15 15 ASN CA C 13 55.00 . . . . . . . . . . . 4726 1 120 . 1 1 15 15 ASN CB C 13 37.60 . . . . . . . . . . . 4726 1 121 . 1 1 15 15 ASN HA H 1 4.74 . . . . . . . . . . . 4726 1 122 . 1 1 15 15 ASN HB3 H 1 2.75 . . . . . . . . . . . 4726 1 123 . 1 1 15 15 ASN HB2 H 1 3.14 . . . . . . . . . . . 4726 1 124 . 1 1 15 15 ASN HD21 H 1 6.89 . . . . . . . . . . . 4726 1 125 . 1 1 15 15 ASN HD22 H 1 7.54 . . . . . . . . . . . 4726 1 126 . 1 1 16 16 LEU N N 15 126.30 . . . . . . . . . . . 4726 1 127 . 1 1 16 16 LEU H H 1 8.73 . . . . . . . . . . . 4726 1 128 . 1 1 16 16 LEU CA C 13 58.50 . . . . . . . . . . . 4726 1 129 . 1 1 16 16 LEU CB C 13 41.80 . . . . . . . . . . . 4726 1 130 . 1 1 16 16 LEU HA H 1 3.96 . . . . . . . . . . . 4726 1 131 . 1 1 16 16 LEU HB3 H 1 1.80 . . . . . . . . . . . 4726 1 132 . 1 1 16 16 LEU HB2 H 1 2.28 . . . . . . . . . . . 4726 1 133 . 1 1 16 16 LEU CG C 13 26.10 . . . . . . . . . . . 4726 1 134 . 1 1 16 16 LEU HG H 1 1.99 . . . . . . . . . . . 4726 1 135 . 1 1 16 16 LEU CD1 C 13 25.20 . . . . . . . . . . . 4726 1 136 . 1 1 16 16 LEU HD11 H 1 0.75 . . . . . . . . . . . 4726 1 137 . 1 1 16 16 LEU HD12 H 1 0.75 . . . . . . . . . . . 4726 1 138 . 1 1 16 16 LEU HD13 H 1 0.75 . . . . . . . . . . . 4726 1 139 . 1 1 16 16 LEU CD2 C 13 25.80 . . . . . . . . . . . 4726 1 140 . 1 1 16 16 LEU HD21 H 1 0.68 . . . . . . . . . . . 4726 1 141 . 1 1 16 16 LEU HD22 H 1 0.68 . . . . . . . . . . . 4726 1 142 . 1 1 16 16 LEU HD23 H 1 0.68 . . . . . . . . . . . 4726 1 143 . 1 1 17 17 GLU N N 15 116.80 . . . . . . . . . . . 4726 1 144 . 1 1 17 17 GLU H H 1 7.31 . . . . . . . . . . . 4726 1 145 . 1 1 17 17 GLU CA C 13 58.80 . . . . . . . . . . . 4726 1 146 . 1 1 17 17 GLU CB C 13 29.50 . . . . . . . . . . . 4726 1 147 . 1 1 17 17 GLU HA H 1 4.24 . . . . . . . . . . . 4726 1 148 . 1 1 17 17 GLU HB3 H 1 2.16 . . . . . . . . . . . 4726 1 149 . 1 1 17 17 GLU HB2 H 1 2.36 . . . . . . . . . . . 4726 1 150 . 1 1 17 17 GLU CG C 13 35.60 . . . . . . . . . . . 4726 1 151 . 1 1 17 17 GLU HG2 H 1 2.38 . . . . . . . . . . . 4726 1 152 . 1 1 17 17 GLU HG3 H 1 2.38 . . . . . . . . . . . 4726 1 153 . 1 1 18 18 LYS N N 15 118.00 . . . . . . . . . . . 4726 1 154 . 1 1 18 18 LYS H H 1 8.09 . . . . . . . . . . . 4726 1 155 . 1 1 18 18 LYS CA C 13 58.90 . . . . . . . . . . . 4726 1 156 . 1 1 18 18 LYS CB C 13 38.90 . . . . . . . . . . . 4726 1 157 . 1 1 18 18 LYS HA H 1 4.18 . . . . . . . . . . . 4726 1 158 . 1 1 18 18 LYS HB3 H 1 1.95 . . . . . . . . . . . 4726 1 159 . 1 1 18 18 LYS HB2 H 1 2.01 . . . . . . . . . . . 4726 1 160 . 1 1 18 18 LYS CG C 13 24.90 . . . . . . . . . . . 4726 1 161 . 1 1 18 18 LYS HG3 H 1 1.57 . . . . . . . . . . . 4726 1 162 . 1 1 18 18 LYS HG2 H 1 1.65 . . . . . . . . . . . 4726 1 163 . 1 1 18 18 LYS HD3 H 1 3.04 . . . . . . . . . . . 4726 1 164 . 1 1 18 18 LYS CE C 13 42.10 . . . . . . . . . . . 4726 1 165 . 1 1 19 19 ASN N N 15 114.40 . . . . . . . . . . . 4726 1 166 . 1 1 19 19 ASN H H 1 7.80 . . . . . . . . . . . 4726 1 167 . 1 1 19 19 ASN CA C 13 53.30 . . . . . . . . . . . 4726 1 168 . 1 1 19 19 ASN CB C 13 39.50 . . . . . . . . . . . 4726 1 169 . 1 1 19 19 ASN HA H 1 5.07 . . . . . . . . . . . 4726 1 170 . 1 1 19 19 ASN HB3 H 1 2.58 . . . . . . . . . . . 4726 1 171 . 1 1 19 19 ASN HB2 H 1 3.15 . . . . . . . . . . . 4726 1 172 . 1 1 20 20 LYS N N 15 117.40 . . . . . . . . . . . 4726 1 173 . 1 1 20 20 LYS H H 1 6.97 . . . . . . . . . . . 4726 1 174 . 1 1 20 20 LYS CA C 13 59.90 . . . . . . . . . . . 4726 1 175 . 1 1 20 20 LYS CB C 13 32.20 . . . . . . . . . . . 4726 1 176 . 1 1 20 20 LYS HA H 1 4.28 . . . . . . . . . . . 4726 1 177 . 1 1 20 20 LYS HB3 H 1 2.15 . . . . . . . . . . . 4726 1 178 . 1 1 20 20 LYS HB2 H 1 2.38 . . . . . . . . . . . 4726 1 179 . 1 1 20 20 LYS CG C 13 22.80 . . . . . . . . . . . 4726 1 180 . 1 1 20 20 LYS HG3 H 1 1.42 . . . . . . . . . . . 4726 1 181 . 1 1 20 20 LYS HG2 H 1 1.69 . . . . . . . . . . . 4726 1 182 . 1 1 20 20 LYS CD C 13 29.70 . . . . . . . . . . . 4726 1 183 . 1 1 20 20 LYS CE C 13 42.10 . . . . . . . . . . . 4726 1 184 . 1 1 21 21 SER N N 15 115.10 . . . . . . . . . . . 4726 1 185 . 1 1 21 21 SER H H 1 8.38 . . . . . . . . . . . 4726 1 186 . 1 1 21 21 SER CA C 13 58.60 . . . . . . . . . . . 4726 1 187 . 1 1 21 21 SER CB C 13 63.40 . . . . . . . . . . . 4726 1 188 . 1 1 21 21 SER HA H 1 4.75 . . . . . . . . . . . 4726 1 189 . 1 1 21 21 SER HB2 H 1 4.04 . . . . . . . . . . . 4726 1 190 . 1 1 21 21 SER HB3 H 1 4.04 . . . . . . . . . . . 4726 1 191 . 1 1 22 22 ASN N N 15 123.60 . . . . . . . . . . . 4726 1 192 . 1 1 22 22 ASN H H 1 8.56 . . . . . . . . . . . 4726 1 193 . 1 1 22 22 ASN CA C 13 51.20 . . . . . . . . . . . 4726 1 194 . 1 1 22 22 ASN CB C 13 38.90 . . . . . . . . . . . 4726 1 195 . 1 1 22 22 ASN HA H 1 5.03 . . . . . . . . . . . 4726 1 196 . 1 1 22 22 ASN HB3 H 1 2.75 . . . . . . . . . . . 4726 1 197 . 1 1 22 22 ASN HB2 H 1 3.39 . . . . . . . . . . . 4726 1 198 . 1 1 22 22 ASN ND2 N 15 40.60 . . . . . . . . . . . 4726 1 199 . 1 1 22 22 ASN HD21 H 1 7.44 . . . . . . . . . . . 4726 1 200 . 1 1 22 22 ASN HD22 H 1 7.76 . . . . . . . . . . . 4726 1 201 . 1 1 23 23 ASP N N 15 125.00 . . . . . . . . . . . 4726 1 202 . 1 1 23 23 ASP H H 1 8.62 . . . . . . . . . . . 4726 1 203 . 1 1 23 23 ASP CA C 13 57.50 . . . . . . . . . . . 4726 1 204 . 1 1 23 23 ASP CB C 13 40.30 . . . . . . . . . . . 4726 1 205 . 1 1 23 23 ASP HA H 1 4.19 . . . . . . . . . . . 4726 1 206 . 1 1 23 23 ASP HB3 H 1 2.57 . . . . . . . . . . . 4726 1 207 . 1 1 23 23 ASP HB2 H 1 2.75 . . . . . . . . . . . 4726 1 208 . 1 1 24 24 ALA N N 15 119.40 . . . . . . . . . . . 4726 1 209 . 1 1 24 24 ALA H H 1 8.10 . . . . . . . . . . . 4726 1 210 . 1 1 24 24 ALA CA C 13 55.10 . . . . . . . . . . . 4726 1 211 . 1 1 24 24 ALA CB C 13 18.10 . . . . . . . . . . . 4726 1 212 . 1 1 24 24 ALA HA H 1 4.11 . . . . . . . . . . . 4726 1 213 . 1 1 24 24 ALA HB1 H 1 1.52 . . . . . . . . . . . 4726 1 214 . 1 1 24 24 ALA HB2 H 1 1.52 . . . . . . . . . . . 4726 1 215 . 1 1 24 24 ALA HB3 H 1 1.52 . . . . . . . . . . . 4726 1 216 . 1 1 25 25 ALA N N 15 121.80 . . . . . . . . . . . 4726 1 217 . 1 1 25 25 ALA H H 1 7.42 . . . . . . . . . . . 4726 1 218 . 1 1 25 25 ALA CA C 13 54.30 . . . . . . . . . . . 4726 1 219 . 1 1 25 25 ALA CB C 13 18.40 . . . . . . . . . . . 4726 1 220 . 1 1 25 25 ALA HA H 1 4.19 . . . . . . . . . . . 4726 1 221 . 1 1 25 25 ALA HB1 H 1 1.52 . . . . . . . . . . . 4726 1 222 . 1 1 25 25 ALA HB2 H 1 1.52 . . . . . . . . . . . 4726 1 223 . 1 1 25 25 ALA HB3 H 1 1.52 . . . . . . . . . . . 4726 1 224 . 1 1 26 26 VAL N N 15 120.10 . . . . . . . . . . . 4726 1 225 . 1 1 26 26 VAL H H 1 8.15 . . . . . . . . . . . 4726 1 226 . 1 1 26 26 VAL CA C 13 66.80 . . . . . . . . . . . 4726 1 227 . 1 1 26 26 VAL CB C 13 31.80 . . . . . . . . . . . 4726 1 228 . 1 1 26 26 VAL HA H 1 3.27 . . . . . . . . . . . 4726 1 229 . 1 1 26 26 VAL HB H 1 2.06 . . . . . . . . . . . 4726 1 230 . 1 1 26 26 VAL CG1 C 13 20.20 . . . . . . . . . . . 4726 1 231 . 1 1 26 26 VAL HG11 H 1 0.22 . . . . . . . . . . . 4726 1 232 . 1 1 26 26 VAL HG12 H 1 0.22 . . . . . . . . . . . 4726 1 233 . 1 1 26 26 VAL HG13 H 1 0.22 . . . . . . . . . . . 4726 1 234 . 1 1 26 26 VAL CG2 C 13 23.90 . . . . . . . . . . . 4726 1 235 . 1 1 26 26 VAL HG21 H 1 1.00 . . . . . . . . . . . 4726 1 236 . 1 1 26 26 VAL HG22 H 1 1.00 . . . . . . . . . . . 4726 1 237 . 1 1 26 26 VAL HG23 H 1 1.00 . . . . . . . . . . . 4726 1 238 . 1 1 27 27 LEU N N 15 119.60 . . . . . . . . . . . 4726 1 239 . 1 1 27 27 LEU H H 1 8.46 . . . . . . . . . . . 4726 1 240 . 1 1 27 27 LEU CA C 13 58.50 . . . . . . . . . . . 4726 1 241 . 1 1 27 27 LEU CB C 13 41.70 . . . . . . . . . . . 4726 1 242 . 1 1 27 27 LEU HA H 1 3.64 . . . . . . . . . . . 4726 1 243 . 1 1 27 27 LEU HB3 H 1 1.49 . . . . . . . . . . . 4726 1 244 . 1 1 27 27 LEU HB2 H 1 1.81 . . . . . . . . . . . 4726 1 245 . 1 1 27 27 LEU CG C 13 27.50 . . . . . . . . . . . 4726 1 246 . 1 1 27 27 LEU HG H 1 1.47 . . . . . . . . . . . 4726 1 247 . 1 1 27 27 LEU CD1 C 13 24.50 . . . . . . . . . . . 4726 1 248 . 1 1 27 27 LEU HD11 H 1 0.75 . . . . . . . . . . . 4726 1 249 . 1 1 27 27 LEU HD12 H 1 0.75 . . . . . . . . . . . 4726 1 250 . 1 1 27 27 LEU HD13 H 1 0.75 . . . . . . . . . . . 4726 1 251 . 1 1 27 27 LEU HD21 H 1 0.82 . . . . . . . . . . . 4726 1 252 . 1 1 27 27 LEU HD22 H 1 0.82 . . . . . . . . . . . 4726 1 253 . 1 1 27 27 LEU HD23 H 1 0.82 . . . . . . . . . . . 4726 1 254 . 1 1 28 28 GLU N N 15 117.30 . . . . . . . . . . . 4726 1 255 . 1 1 28 28 GLU H H 1 8.42 . . . . . . . . . . . 4726 1 256 . 1 1 28 28 GLU CA C 13 59.40 . . . . . . . . . . . 4726 1 257 . 1 1 28 28 GLU CB C 13 29.50 . . . . . . . . . . . 4726 1 258 . 1 1 28 28 GLU HA H 1 4.09 . . . . . . . . . . . 4726 1 259 . 1 1 28 28 GLU HB3 H 1 2.10 . . . . . . . . . . . 4726 1 260 . 1 1 28 28 GLU HB2 H 1 2.29 . . . . . . . . . . . 4726 1 261 . 1 1 28 28 GLU CG C 13 35.90 . . . . . . . . . . . 4726 1 262 . 1 1 28 28 GLU HG3 H 1 2.29 . . . . . . . . . . . 4726 1 263 . 1 1 28 28 GLU HG2 H 1 2.45 . . . . . . . . . . . 4726 1 264 . 1 1 29 29 ILE N N 15 120.20 . . . . . . . . . . . 4726 1 265 . 1 1 29 29 ILE H H 1 7.53 . . . . . . . . . . . 4726 1 266 . 1 1 29 29 ILE CA C 13 65.20 . . . . . . . . . . . 4726 1 267 . 1 1 29 29 ILE CB C 13 38.80 . . . . . . . . . . . 4726 1 268 . 1 1 29 29 ILE HA H 1 3.57 . . . . . . . . . . . 4726 1 269 . 1 1 29 29 ILE HB H 1 1.81 . . . . . . . . . . . 4726 1 270 . 1 1 29 29 ILE HG13 H 1 1.25 . . . . . . . . . . . 4726 1 271 . 1 1 29 29 ILE HG12 H 1 1.96 . . . . . . . . . . . 4726 1 272 . 1 1 29 29 ILE CG2 C 13 17.90 . . . . . . . . . . . 4726 1 273 . 1 1 29 29 ILE HG21 H 1 0.93 . . . . . . . . . . . 4726 1 274 . 1 1 29 29 ILE HG22 H 1 0.93 . . . . . . . . . . . 4726 1 275 . 1 1 29 29 ILE HG23 H 1 0.93 . . . . . . . . . . . 4726 1 276 . 1 1 29 29 ILE CD1 C 13 20.10 . . . . . . . . . . . 4726 1 277 . 1 1 29 29 ILE HD11 H 1 0.88 . . . . . . . . . . . 4726 1 278 . 1 1 29 29 ILE HD12 H 1 0.88 . . . . . . . . . . . 4726 1 279 . 1 1 29 29 ILE HD13 H 1 0.88 . . . . . . . . . . . 4726 1 280 . 1 1 30 30 LEU N N 15 118.50 . . . . . . . . . . . 4726 1 281 . 1 1 30 30 LEU H H 1 8.83 . . . . . . . . . . . 4726 1 282 . 1 1 30 30 LEU CA C 13 58.50 . . . . . . . . . . . 4726 1 283 . 1 1 30 30 LEU CB C 13 41.30 . . . . . . . . . . . 4726 1 284 . 1 1 30 30 LEU HA H 1 3.82 . . . . . . . . . . . 4726 1 285 . 1 1 30 30 LEU HB3 H 1 1.74 . . . . . . . . . . . 4726 1 286 . 1 1 30 30 LEU HB2 H 1 2.02 . . . . . . . . . . . 4726 1 287 . 1 1 30 30 LEU CD1 C 13 23.20 . . . . . . . . . . . 4726 1 288 . 1 1 30 30 LEU HG H 1 0.54 . . . . . . . . . . . 4726 1 289 . 1 1 30 30 LEU HD11 H 1 0.65 . . . . . . . . . . . 4726 1 290 . 1 1 30 30 LEU HD12 H 1 0.65 . . . . . . . . . . . 4726 1 291 . 1 1 30 30 LEU HD13 H 1 0.65 . . . . . . . . . . . 4726 1 292 . 1 1 31 31 HIS N N 15 115.70 . . . . . . . . . . . 4726 1 293 . 1 1 31 31 HIS H H 1 8.48 . . . . . . . . . . . 4726 1 294 . 1 1 31 31 HIS CA C 13 59.90 . . . . . . . . . . . 4726 1 295 . 1 1 31 31 HIS CB C 13 28.70 . . . . . . . . . . . 4726 1 296 . 1 1 31 31 HIS HA H 1 4.43 . . . . . . . . . . . 4726 1 297 . 1 1 31 31 HIS HB2 H 1 3.14 . . . . . . . . . . . 4726 1 298 . 1 1 31 31 HIS HB3 H 1 3.14 . . . . . . . . . . . 4726 1 299 . 1 1 31 31 HIS HD1 H 1 7.14 . . . . . . . . . . . 4726 1 300 . 1 1 31 31 HIS HE1 H 1 8.19 . . . . . . . . . . . 4726 1 301 . 1 1 32 32 VAL N N 15 121.30 . . . . . . . . . . . 4726 1 302 . 1 1 32 32 VAL H H 1 7.52 . . . . . . . . . . . 4726 1 303 . 1 1 32 32 VAL CA C 13 66.80 . . . . . . . . . . . 4726 1 304 . 1 1 32 32 VAL CB C 13 31.10 . . . . . . . . . . . 4726 1 305 . 1 1 32 32 VAL HA H 1 3.81 . . . . . . . . . . . 4726 1 306 . 1 1 32 32 VAL HB H 1 2.10 . . . . . . . . . . . 4726 1 307 . 1 1 32 32 VAL CG1 C 13 20.90 . . . . . . . . . . . 4726 1 308 . 1 1 32 32 VAL HG11 H 1 0.78 . . . . . . . . . . . 4726 1 309 . 1 1 32 32 VAL HG12 H 1 0.78 . . . . . . . . . . . 4726 1 310 . 1 1 32 32 VAL HG13 H 1 0.78 . . . . . . . . . . . 4726 1 311 . 1 1 32 32 VAL HG21 H 1 1.10 . . . . . . . . . . . 4726 1 312 . 1 1 32 32 VAL HG22 H 1 1.10 . . . . . . . . . . . 4726 1 313 . 1 1 32 32 VAL HG23 H 1 1.10 . . . . . . . . . . . 4726 1 314 . 1 1 33 33 LEU N N 15 120.10 . . . . . . . . . . . 4726 1 315 . 1 1 33 33 LEU H H 1 8.13 . . . . . . . . . . . 4726 1 316 . 1 1 33 33 LEU CA C 13 57.60 . . . . . . . . . . . 4726 1 317 . 1 1 33 33 LEU CB C 13 43.00 . . . . . . . . . . . 4726 1 318 . 1 1 33 33 LEU HA H 1 4.01 . . . . . . . . . . . 4726 1 319 . 1 1 33 33 LEU HB3 H 1 2.12 . . . . . . . . . . . 4726 1 320 . 1 1 33 33 LEU HB2 H 1 1.39 . . . . . . . . . . . 4726 1 321 . 1 1 33 33 LEU CG C 13 26.30 . . . . . . . . . . . 4726 1 322 . 1 1 33 33 LEU CD1 C 13 22.70 . . . . . . . . . . . 4726 1 323 . 1 1 33 33 LEU HD11 H 1 0.67 . . . . . . . . . . . 4726 1 324 . 1 1 33 33 LEU HD12 H 1 0.67 . . . . . . . . . . . 4726 1 325 . 1 1 33 33 LEU HD13 H 1 0.67 . . . . . . . . . . . 4726 1 326 . 1 1 34 34 ASP N N 15 118.70 . . . . . . . . . . . 4726 1 327 . 1 1 34 34 ASP H H 1 8.90 . . . . . . . . . . . 4726 1 328 . 1 1 34 34 ASP CA C 13 57.70 . . . . . . . . . . . 4726 1 329 . 1 1 34 34 ASP CB C 13 42.80 . . . . . . . . . . . 4726 1 330 . 1 1 34 34 ASP HA H 1 4.55 . . . . . . . . . . . 4726 1 331 . 1 1 34 34 ASP HB3 H 1 2.87 . . . . . . . . . . . 4726 1 332 . 1 1 34 34 ASP HB2 H 1 3.06 . . . . . . . . . . . 4726 1 333 . 1 1 35 35 LYS N N 15 114.60 . . . . . . . . . . . 4726 1 334 . 1 1 35 35 LYS H H 1 7.65 . . . . . . . . . . . 4726 1 335 . 1 1 35 35 LYS CA C 13 58.20 . . . . . . . . . . . 4726 1 336 . 1 1 35 35 LYS CB C 13 34.20 . . . . . . . . . . . 4726 1 337 . 1 1 35 35 LYS HA H 1 4.31 . . . . . . . . . . . 4726 1 338 . 1 1 35 35 LYS HB3 H 1 1.97 . . . . . . . . . . . 4726 1 339 . 1 1 35 35 LYS HB2 H 1 2.03 . . . . . . . . . . . 4726 1 340 . 1 1 35 35 LYS CG C 13 25.10 . . . . . . . . . . . 4726 1 341 . 1 1 35 35 LYS HG3 H 1 1.54 . . . . . . . . . . . 4726 1 342 . 1 1 35 35 LYS HG2 H 1 1.66 . . . . . . . . . . . 4726 1 343 . 1 1 35 35 LYS CD C 13 29.30 . . . . . . . . . . . 4726 1 344 . 1 1 35 35 LYS HD3 H 1 1.73 . . . . . . . . . . . 4726 1 345 . 1 1 35 35 LYS HD2 H 1 1.76 . . . . . . . . . . . 4726 1 346 . 1 1 35 35 LYS CE C 13 42.10 . . . . . . . . . . . 4726 1 347 . 1 1 35 35 LYS HE3 H 1 2.98 . . . . . . . . . . . 4726 1 348 . 1 1 35 35 LYS HE2 H 1 3.07 . . . . . . . . . . . 4726 1 349 . 1 1 36 36 GLU N N 15 114.50 . . . . . . . . . . . 4726 1 350 . 1 1 36 36 GLU H H 1 8.57 . . . . . . . . . . . 4726 1 351 . 1 1 36 36 GLU CA C 13 57.00 . . . . . . . . . . . 4726 1 352 . 1 1 36 36 GLU CB C 13 32.00 . . . . . . . . . . . 4726 1 353 . 1 1 36 36 GLU HA H 1 4.68 . . . . . . . . . . . 4726 1 354 . 1 1 36 36 GLU HB3 H 1 1.98 . . . . . . . . . . . 4726 1 355 . 1 1 36 36 GLU HB2 H 1 2.31 . . . . . . . . . . . 4726 1 356 . 1 1 36 36 GLU HG3 H 1 2.41 . . . . . . . . . . . 4726 1 357 . 1 1 37 37 PHE N N 15 120.30 . . . . . . . . . . . 4726 1 358 . 1 1 37 37 PHE H H 1 8.29 . . . . . . . . . . . 4726 1 359 . 1 1 37 37 PHE CA C 13 57.50 . . . . . . . . . . . 4726 1 360 . 1 1 37 37 PHE CB C 13 39.90 . . . . . . . . . . . 4726 1 361 . 1 1 37 37 PHE HA H 1 4.01 . . . . . . . . . . . 4726 1 362 . 1 1 37 37 PHE HB3 H 1 3.11 . . . . . . . . . . . 4726 1 363 . 1 1 37 37 PHE HB2 H 1 3.67 . . . . . . . . . . . 4726 1 364 . 1 1 37 37 PHE HD1 H 1 6.79 . . . . . . . . . . . 4726 1 365 . 1 1 37 37 PHE HD2 H 1 6.79 . . . . . . . . . . . 4726 1 366 . 1 1 37 37 PHE HE1 H 1 6.22 . . . . . . . . . . . 4726 1 367 . 1 1 37 37 PHE HE2 H 1 6.22 . . . . . . . . . . . 4726 1 368 . 1 1 37 37 PHE HZ H 1 6.38 . . . . . . . . . . . 4726 1 369 . 1 1 38 38 VAL N N 15 132.00 . . . . . . . . . . . 4726 1 370 . 1 1 38 38 VAL H H 1 7.91 . . . . . . . . . . . 4726 1 371 . 1 1 38 38 VAL CA C 13 58.10 . . . . . . . . . . . 4726 1 372 . 1 1 38 38 VAL CB C 13 32.50 . . . . . . . . . . . 4726 1 373 . 1 1 38 38 VAL HA H 1 4.21 . . . . . . . . . . . 4726 1 374 . 1 1 38 38 VAL HB H 1 1.68 . . . . . . . . . . . 4726 1 375 . 1 1 38 38 VAL CG1 C 13 20.20 . . . . . . . . . . . 4726 1 376 . 1 1 38 38 VAL CG2 C 13 20.20 . . . . . . . . . . . 4726 1 377 . 1 1 38 38 VAL HG21 H 1 0.71 . . . . . . . . . . . 4726 1 378 . 1 1 38 38 VAL HG22 H 1 0.71 . . . . . . . . . . . 4726 1 379 . 1 1 38 38 VAL HG23 H 1 0.71 . . . . . . . . . . . 4726 1 380 . 1 1 38 38 VAL HG11 H 1 0.39 . . . . . . . . . . . 4726 1 381 . 1 1 38 38 VAL HG12 H 1 0.39 . . . . . . . . . . . 4726 1 382 . 1 1 38 38 VAL HG13 H 1 0.39 . . . . . . . . . . . 4726 1 383 . 1 1 39 39 PRO CB C 13 62.60 . . . . . . . . . . . 4726 1 384 . 1 1 39 39 PRO CA C 13 31.60 . . . . . . . . . . . 4726 1 385 . 1 1 39 39 PRO HA H 1 3.37 . . . . . . . . . . . 4726 1 386 . 1 1 39 39 PRO HB3 H 1 1.31 . . . . . . . . . . . 4726 1 387 . 1 1 39 39 PRO HB2 H 1 1.51 . . . . . . . . . . . 4726 1 388 . 1 1 39 39 PRO CG C 13 27.20 . . . . . . . . . . . 4726 1 389 . 1 1 39 39 PRO HG2 H 1 1.92 . . . . . . . . . . . 4726 1 390 . 1 1 39 39 PRO CD C 13 48.50 . . . . . . . . . . . 4726 1 391 . 1 1 39 39 PRO HG3 H 1 3.07 . . . . . . . . . . . 4726 1 392 . 1 1 40 40 THR N N 15 107.00 . . . . . . . . . . . 4726 1 393 . 1 1 40 40 THR H H 1 6.39 . . . . . . . . . . . 4726 1 394 . 1 1 40 40 THR CA C 13 58.60 . . . . . . . . . . . 4726 1 395 . 1 1 40 40 THR CB C 13 72.60 . . . . . . . . . . . 4726 1 396 . 1 1 40 40 THR HA H 1 4.44 . . . . . . . . . . . 4726 1 397 . 1 1 40 40 THR HB H 1 4.61 . . . . . . . . . . . 4726 1 398 . 1 1 40 40 THR CG2 C 13 21.90 . . . . . . . . . . . 4726 1 399 . 1 1 40 40 THR HG21 H 1 1.17 . . . . . . . . . . . 4726 1 400 . 1 1 40 40 THR HG22 H 1 1.17 . . . . . . . . . . . 4726 1 401 . 1 1 40 40 THR HG23 H 1 1.17 . . . . . . . . . . . 4726 1 402 . 1 1 41 41 GLU N N 15 125.10 . . . . . . . . . . . 4726 1 403 . 1 1 41 41 GLU H H 1 9.51 . . . . . . . . . . . 4726 1 404 . 1 1 41 41 GLU CA C 13 60.80 . . . . . . . . . . . 4726 1 405 . 1 1 41 41 GLU CB C 13 29.50 . . . . . . . . . . . 4726 1 406 . 1 1 41 41 GLU HA H 1 4.69 . . . . . . . . . . . 4726 1 407 . 1 1 41 41 GLU CG C 13 36.90 . . . . . . . . . . . 4726 1 408 . 1 1 42 42 LYS N N 15 119.70 . . . . . . . . . . . 4726 1 409 . 1 1 42 42 LYS H H 1 8.43 . . . . . . . . . . . 4726 1 410 . 1 1 42 42 LYS CA C 13 59.90 . . . . . . . . . . . 4726 1 411 . 1 1 42 42 LYS CB C 13 33.10 . . . . . . . . . . . 4726 1 412 . 1 1 42 42 LYS HA H 1 4.02 . . . . . . . . . . . 4726 1 413 . 1 1 42 42 LYS HB3 H 1 1.73 . . . . . . . . . . . 4726 1 414 . 1 1 42 42 LYS HB2 H 1 1.83 . . . . . . . . . . . 4726 1 415 . 1 1 42 42 LYS CG C 13 24.80 . . . . . . . . . . . 4726 1 416 . 1 1 42 42 LYS HG2 H 1 1.65 . . . . . . . . . . . 4726 1 417 . 1 1 42 42 LYS HG3 H 1 1.65 . . . . . . . . . . . 4726 1 418 . 1 1 42 42 LYS CD C 13 29.80 . . . . . . . . . . . 4726 1 419 . 1 1 42 42 LYS CE C 13 42.00 . . . . . . . . . . . 4726 1 420 . 1 1 43 43 LEU N N 15 118.60 . . . . . . . . . . . 4726 1 421 . 1 1 43 43 LEU H H 1 7.99 . . . . . . . . . . . 4726 1 422 . 1 1 43 43 LEU CA C 13 58.10 . . . . . . . . . . . 4726 1 423 . 1 1 43 43 LEU CB C 13 43.60 . . . . . . . . . . . 4726 1 424 . 1 1 43 43 LEU HA H 1 4.30 . . . . . . . . . . . 4726 1 425 . 1 1 43 43 LEU HB3 H 1 1.45 . . . . . . . . . . . 4726 1 426 . 1 1 43 43 LEU HB2 H 1 1.94 . . . . . . . . . . . 4726 1 427 . 1 1 43 43 LEU CD1 C 13 25.60 . . . . . . . . . . . 4726 1 428 . 1 1 43 43 LEU HD11 H 1 1.02 . . . . . . . . . . . 4726 1 429 . 1 1 43 43 LEU HD12 H 1 1.02 . . . . . . . . . . . 4726 1 430 . 1 1 43 43 LEU HD13 H 1 1.02 . . . . . . . . . . . 4726 1 431 . 1 1 43 43 LEU HD21 H 1 1.09 . . . . . . . . . . . 4726 1 432 . 1 1 43 43 LEU HD22 H 1 1.09 . . . . . . . . . . . 4726 1 433 . 1 1 43 43 LEU HD23 H 1 1.09 . . . . . . . . . . . 4726 1 434 . 1 1 44 44 LEU N N 15 122.10 . . . . . . . . . . . 4726 1 435 . 1 1 44 44 LEU H H 1 8.50 . . . . . . . . . . . 4726 1 436 . 1 1 44 44 LEU CA C 13 59.00 . . . . . . . . . . . 4726 1 437 . 1 1 44 44 LEU CB C 13 41.20 . . . . . . . . . . . 4726 1 438 . 1 1 44 44 LEU CG C 13 26.90 . . . . . . . . . . . 4726 1 439 . 1 1 44 44 LEU HG H 1 1.76 . . . . . . . . . . . 4726 1 440 . 1 1 44 44 LEU HA H 1 4.01 . . . . . . . . . . . 4726 1 441 . 1 1 44 44 LEU HB3 H 1 1.71 . . . . . . . . . . . 4726 1 442 . 1 1 44 44 LEU HB2 H 1 2.03 . . . . . . . . . . . 4726 1 443 . 1 1 44 44 LEU HD11 H 1 0.96 . . . . . . . . . . . 4726 1 444 . 1 1 44 44 LEU HD12 H 1 0.96 . . . . . . . . . . . 4726 1 445 . 1 1 44 44 LEU HD13 H 1 0.96 . . . . . . . . . . . 4726 1 446 . 1 1 44 44 LEU HD21 H 1 0.86 . . . . . . . . . . . 4726 1 447 . 1 1 44 44 LEU HD22 H 1 0.86 . . . . . . . . . . . 4726 1 448 . 1 1 44 44 LEU HD23 H 1 0.86 . . . . . . . . . . . 4726 1 449 . 1 1 45 45 ARG N N 15 120.50 . . . . . . . . . . . 4726 1 450 . 1 1 45 45 ARG H H 1 8.18 . . . . . . . . . . . 4726 1 451 . 1 1 45 45 ARG CA C 13 59.10 . . . . . . . . . . . 4726 1 452 . 1 1 45 45 ARG CB C 13 30.40 . . . . . . . . . . . 4726 1 453 . 1 1 45 45 ARG HA H 1 4.24 . . . . . . . . . . . 4726 1 454 . 1 1 45 45 ARG HB3 H 1 2.06 . . . . . . . . . . . 4726 1 455 . 1 1 45 45 ARG HB2 H 1 2.21 . . . . . . . . . . . 4726 1 456 . 1 1 45 45 ARG CG C 13 27.20 . . . . . . . . . . . 4726 1 457 . 1 1 45 45 ARG HG3 H 1 1.71 . . . . . . . . . . . 4726 1 458 . 1 1 45 45 ARG HG2 H 1 1.80 . . . . . . . . . . . 4726 1 459 . 1 1 45 45 ARG CD C 13 43.30 . . . . . . . . . . . 4726 1 460 . 1 1 45 45 ARG HD2 H 1 3.31 . . . . . . . . . . . 4726 1 461 . 1 1 45 45 ARG HD3 H 1 3.31 . . . . . . . . . . . 4726 1 462 . 1 1 46 46 GLU N N 15 116.30 . . . . . . . . . . . 4726 1 463 . 1 1 46 46 GLU H H 1 8.66 . . . . . . . . . . . 4726 1 464 . 1 1 46 46 GLU CA C 13 59.00 . . . . . . . . . . . 4726 1 465 . 1 1 46 46 GLU CB C 13 30.30 . . . . . . . . . . . 4726 1 466 . 1 1 46 46 GLU HA H 1 4.23 . . . . . . . . . . . 4726 1 467 . 1 1 46 46 GLU HB3 H 1 2.08 . . . . . . . . . . . 4726 1 468 . 1 1 46 46 GLU HB2 H 1 2.21 . . . . . . . . . . . 4726 1 469 . 1 1 46 46 GLU CG C 13 36.90 . . . . . . . . . . . 4726 1 470 . 1 1 46 46 GLU HG3 H 1 2.36 . . . . . . . . . . . 4726 1 471 . 1 1 46 46 GLU HG2 H 1 2.61 . . . . . . . . . . . 4726 1 472 . 1 1 47 47 THR N N 15 105.30 . . . . . . . . . . . 4726 1 473 . 1 1 47 47 THR H H 1 7.78 . . . . . . . . . . . 4726 1 474 . 1 1 47 47 THR CA C 13 71.60 . . . . . . . . . . . 4726 1 475 . 1 1 47 47 THR CB C 13 62.20 . . . . . . . . . . . 4726 1 476 . 1 1 47 47 THR HA H 1 4.42 . . . . . . . . . . . 4726 1 477 . 1 1 47 47 THR HB H 1 4.08 . . . . . . . . . . . 4726 1 478 . 1 1 47 47 THR CG2 C 13 21.40 . . . . . . . . . . . 4726 1 479 . 1 1 47 47 THR HG21 H 1 1.38 . . . . . . . . . . . 4726 1 480 . 1 1 47 47 THR HG22 H 1 1.38 . . . . . . . . . . . 4726 1 481 . 1 1 47 47 THR HG23 H 1 1.38 . . . . . . . . . . . 4726 1 482 . 1 1 48 48 LYS N N 15 113.20 . . . . . . . . . . . 4726 1 483 . 1 1 48 48 LYS H H 1 7.48 . . . . . . . . . . . 4726 1 484 . 1 1 48 48 LYS CA C 13 57.70 . . . . . . . . . . . 4726 1 485 . 1 1 48 48 LYS CB C 13 29.50 . . . . . . . . . . . 4726 1 486 . 1 1 48 48 LYS HA H 1 4.24 . . . . . . . . . . . 4726 1 487 . 1 1 48 48 LYS HB3 H 1 2.11 . . . . . . . . . . . 4726 1 488 . 1 1 48 48 LYS HB2 H 1 2.30 . . . . . . . . . . . 4726 1 489 . 1 1 48 48 LYS CG C 13 25.10 . . . . . . . . . . . 4726 1 490 . 1 1 48 48 LYS HG2 H 1 1.46 . . . . . . . . . . . 4726 1 491 . 1 1 48 48 LYS HG3 H 1 1.46 . . . . . . . . . . . 4726 1 492 . 1 1 48 48 LYS CE C 13 42.10 . . . . . . . . . . . 4726 1 493 . 1 1 49 49 VAL N N 15 117.90 . . . . . . . . . . . 4726 1 494 . 1 1 49 49 VAL H H 1 7.71 . . . . . . . . . . . 4726 1 495 . 1 1 49 49 VAL CA C 13 64.90 . . . . . . . . . . . 4726 1 496 . 1 1 49 49 VAL CB C 13 30.70 . . . . . . . . . . . 4726 1 497 . 1 1 49 49 VAL HA H 1 3.97 . . . . . . . . . . . 4726 1 498 . 1 1 49 49 VAL HB H 1 2.16 . . . . . . . . . . . 4726 1 499 . 1 1 49 49 VAL CG1 C 13 22.00 . . . . . . . . . . . 4726 1 500 . 1 1 49 49 VAL CG2 C 13 22.00 . . . . . . . . . . . 4726 1 501 . 1 1 49 49 VAL HG11 H 1 1.11 . . . . . . . . . . . 4726 1 502 . 1 1 49 49 VAL HG12 H 1 1.11 . . . . . . . . . . . 4726 1 503 . 1 1 49 49 VAL HG13 H 1 1.11 . . . . . . . . . . . 4726 1 504 . 1 1 49 49 VAL HG21 H 1 1.08 . . . . . . . . . . . 4726 1 505 . 1 1 49 49 VAL HG22 H 1 1.08 . . . . . . . . . . . 4726 1 506 . 1 1 49 49 VAL HG23 H 1 1.08 . . . . . . . . . . . 4726 1 507 . 1 1 50 50 GLY N N 15 110.90 . . . . . . . . . . . 4726 1 508 . 1 1 50 50 GLY H H 1 8.59 . . . . . . . . . . . 4726 1 509 . 1 1 50 50 GLY CA C 13 46.80 . . . . . . . . . . . 4726 1 510 . 1 1 50 50 GLY HA2 H 1 4.08 . . . . . . . . . . . 4726 1 511 . 1 1 50 50 GLY HA3 H 1 4.08 . . . . . . . . . . . 4726 1 512 . 1 1 51 51 VAL N N 15 122.60 . . . . . . . . . . . 4726 1 513 . 1 1 51 51 VAL H H 1 7.15 . . . . . . . . . . . 4726 1 514 . 1 1 51 51 VAL CA C 13 65.60 . . . . . . . . . . . 4726 1 515 . 1 1 51 51 VAL CB C 13 32.00 . . . . . . . . . . . 4726 1 516 . 1 1 51 51 VAL HA H 1 3.72 . . . . . . . . . . . 4726 1 517 . 1 1 51 51 VAL HB H 1 2.31 . . . . . . . . . . . 4726 1 518 . 1 1 51 51 VAL CG1 C 13 21.50 . . . . . . . . . . . 4726 1 519 . 1 1 51 51 VAL HG11 H 1 1.05 . . . . . . . . . . . 4726 1 520 . 1 1 51 51 VAL HG12 H 1 1.05 . . . . . . . . . . . 4726 1 521 . 1 1 51 51 VAL HG13 H 1 1.05 . . . . . . . . . . . 4726 1 522 . 1 1 51 51 VAL HG21 H 1 1.11 . . . . . . . . . . . 4726 1 523 . 1 1 51 51 VAL HG22 H 1 1.11 . . . . . . . . . . . 4726 1 524 . 1 1 51 51 VAL HG23 H 1 1.11 . . . . . . . . . . . 4726 1 525 . 1 1 52 52 GLU N N 15 118.80 . . . . . . . . . . . 4726 1 526 . 1 1 52 52 GLU H H 1 8.07 . . . . . . . . . . . 4726 1 527 . 1 1 52 52 GLU CA C 13 58.70 . . . . . . . . . . . 4726 1 528 . 1 1 52 52 GLU CB C 13 28.90 . . . . . . . . . . . 4726 1 529 . 1 1 52 52 GLU HA H 1 4.15 . . . . . . . . . . . 4726 1 530 . 1 1 52 52 GLU HB3 H 1 2.01 . . . . . . . . . . . 4726 1 531 . 1 1 52 52 GLU CG C 13 34.80 . . . . . . . . . . . 4726 1 532 . 1 1 53 53 VAL N N 15 118.20 . . . . . . . . . . . 4726 1 533 . 1 1 53 53 VAL H H 1 8.65 . . . . . . . . . . . 4726 1 534 . 1 1 53 53 VAL CA C 13 67.00 . . . . . . . . . . . 4726 1 535 . 1 1 53 53 VAL CB C 13 31.90 . . . . . . . . . . . 4726 1 536 . 1 1 53 53 VAL HA H 1 3.83 . . . . . . . . . . . 4726 1 537 . 1 1 53 53 VAL HB H 1 2.35 . . . . . . . . . . . 4726 1 538 . 1 1 53 53 VAL CG1 C 13 22.20 . . . . . . . . . . . 4726 1 539 . 1 1 53 53 VAL CG2 C 13 22.20 . . . . . . . . . . . 4726 1 540 . 1 1 53 53 VAL HG11 H 1 1.07 . . . . . . . . . . . 4726 1 541 . 1 1 53 53 VAL HG12 H 1 1.07 . . . . . . . . . . . 4726 1 542 . 1 1 53 53 VAL HG13 H 1 1.07 . . . . . . . . . . . 4726 1 543 . 1 1 53 53 VAL HG21 H 1 1.11 . . . . . . . . . . . 4726 1 544 . 1 1 53 53 VAL HG22 H 1 1.11 . . . . . . . . . . . 4726 1 545 . 1 1 53 53 VAL HG23 H 1 1.11 . . . . . . . . . . . 4726 1 546 . 1 1 54 54 ASN N N 15 116.10 . . . . . . . . . . . 4726 1 547 . 1 1 54 54 ASN H H 1 7.92 . . . . . . . . . . . 4726 1 548 . 1 1 54 54 ASN CA C 13 55.60 . . . . . . . . . . . 4726 1 549 . 1 1 54 54 ASN CB C 13 39.00 . . . . . . . . . . . 4726 1 550 . 1 1 54 54 ASN HA H 1 4.44 . . . . . . . . . . . 4726 1 551 . 1 1 54 54 ASN HB3 H 1 2.83 . . . . . . . . . . . 4726 1 552 . 1 1 54 54 ASN HB2 H 1 2.97 . . . . . . . . . . . 4726 1 553 . 1 1 54 54 ASN ND2 N 15 112.20 . . . . . . . . . . . 4726 1 554 . 1 1 54 54 ASN HD21 H 1 6.68 . . . . . . . . . . . 4726 1 555 . 1 1 54 54 ASN HD22 H 1 7.45 . . . . . . . . . . . 4726 1 556 . 1 1 55 55 LYS N N 15 119.00 . . . . . . . . . . . 4726 1 557 . 1 1 55 55 LYS H H 1 7.54 . . . . . . . . . . . 4726 1 558 . 1 1 55 55 LYS CA C 13 59.30 . . . . . . . . . . . 4726 1 559 . 1 1 55 55 LYS CB C 13 32.10 . . . . . . . . . . . 4726 1 560 . 1 1 55 55 LYS HA H 1 4.04 . . . . . . . . . . . 4726 1 561 . 1 1 55 55 LYS HB3 H 1 1.66 . . . . . . . . . . . 4726 1 562 . 1 1 55 55 LYS HB2 H 1 1.85 . . . . . . . . . . . 4726 1 563 . 1 1 55 55 LYS HG3 H 1 1.34 . . . . . . . . . . . 4726 1 564 . 1 1 55 55 LYS HG2 H 1 1.41 . . . . . . . . . . . 4726 1 565 . 1 1 55 55 LYS CE C 13 45.00 . . . . . . . . . . . 4726 1 566 . 1 1 55 55 LYS HE3 H 1 3.04 . . . . . . . . . . . 4726 1 567 . 1 1 56 56 PHE N N 15 116.80 . . . . . . . . . . . 4726 1 568 . 1 1 56 56 PHE H H 1 7.98 . . . . . . . . . . . 4726 1 569 . 1 1 56 56 PHE CA C 13 57.80 . . . . . . . . . . . 4726 1 570 . 1 1 56 56 PHE CB C 13 43.60 . . . . . . . . . . . 4726 1 571 . 1 1 56 56 PHE HA H 1 4.43 . . . . . . . . . . . 4726 1 572 . 1 1 56 56 PHE HB3 H 1 3.08 . . . . . . . . . . . 4726 1 573 . 1 1 56 56 PHE HB2 H 1 3.36 . . . . . . . . . . . 4726 1 574 . 1 1 56 56 PHE HD1 H 1 7.57 . . . . . . . . . . . 4726 1 575 . 1 1 56 56 PHE HD2 H 1 7.57 . . . . . . . . . . . 4726 1 576 . 1 1 56 56 PHE HE1 H 1 7.26 . . . . . . . . . . . 4726 1 577 . 1 1 56 56 PHE HE2 H 1 7.26 . . . . . . . . . . . 4726 1 578 . 1 1 56 56 PHE HZ H 1 7.55 . . . . . . . . . . . 4726 1 579 . 1 1 57 57 LYS N N 15 120.50 . . . . . . . . . . . 4726 1 580 . 1 1 57 57 LYS H H 1 7.66 . . . . . . . . . . . 4726 1 581 . 1 1 57 57 LYS CA C 13 59.50 . . . . . . . . . . . 4726 1 582 . 1 1 57 57 LYS CB C 13 32.30 . . . . . . . . . . . 4726 1 583 . 1 1 57 57 LYS HA H 1 3.89 . . . . . . . . . . . 4726 1 584 . 1 1 57 57 LYS HB3 H 1 1.88 . . . . . . . . . . . 4726 1 585 . 1 1 57 57 LYS HB2 H 1 1.98 . . . . . . . . . . . 4726 1 586 . 1 1 57 57 LYS CG C 13 24.90 . . . . . . . . . . . 4726 1 587 . 1 1 57 57 LYS HG3 H 1 1.54 . . . . . . . . . . . 4726 1 588 . 1 1 57 57 LYS HG2 H 1 1.65 . . . . . . . . . . . 4726 1 589 . 1 1 57 57 LYS CD C 13 29.40 . . . . . . . . . . . 4726 1 590 . 1 1 57 57 LYS HD3 H 1 1.75 . . . . . . . . . . . 4726 1 591 . 1 1 57 57 LYS CE C 13 41.70 . . . . . . . . . . . 4726 1 592 . 1 1 57 57 LYS HE3 H 1 3.03 . . . . . . . . . . . 4726 1 593 . 1 1 58 58 LYS N N 15 116.30 . . . . . . . . . . . 4726 1 594 . 1 1 58 58 LYS H H 1 7.73 . . . . . . . . . . . 4726 1 595 . 1 1 58 58 LYS CA C 13 54.80 . . . . . . . . . . . 4726 1 596 . 1 1 58 58 LYS CB C 13 31.10 . . . . . . . . . . . 4726 1 597 . 1 1 58 58 LYS HA H 1 4.48 . . . . . . . . . . . 4726 1 598 . 1 1 58 58 LYS HB3 H 1 1.68 . . . . . . . . . . . 4726 1 599 . 1 1 58 58 LYS HB2 H 1 2.05 . . . . . . . . . . . 4726 1 600 . 1 1 58 58 LYS CG C 13 24.80 . . . . . . . . . . . 4726 1 601 . 1 1 58 58 LYS HG3 H 1 1.40 . . . . . . . . . . . 4726 1 602 . 1 1 58 58 LYS HG2 H 1 1.52 . . . . . . . . . . . 4726 1 603 . 1 1 58 58 LYS CD C 13 29.10 . . . . . . . . . . . 4726 1 604 . 1 1 58 58 LYS CE C 13 42.00 . . . . . . . . . . . 4726 1 605 . 1 1 58 58 LYS HE3 H 1 3.02 . . . . . . . . . . . 4726 1 606 . 1 1 59 59 SER N N 15 114.70 . . . . . . . . . . . 4726 1 607 . 1 1 59 59 SER H H 1 7.22 . . . . . . . . . . . 4726 1 608 . 1 1 59 59 SER CA C 13 59.20 . . . . . . . . . . . 4726 1 609 . 1 1 59 59 SER CB C 13 64.10 . . . . . . . . . . . 4726 1 610 . 1 1 59 59 SER HA H 1 4.22 . . . . . . . . . . . 4726 1 611 . 1 1 59 59 SER HB2 H 1 3.68 . . . . . . . . . . . 4726 1 612 . 1 1 59 59 SER HB3 H 1 3.68 . . . . . . . . . . . 4726 1 613 . 1 1 60 60 THR N N 15 117.80 . . . . . . . . . . . 4726 1 614 . 1 1 60 60 THR H H 1 8.54 . . . . . . . . . . . 4726 1 615 . 1 1 60 60 THR CA C 13 62.90 . . . . . . . . . . . 4726 1 616 . 1 1 60 60 THR CB C 13 68.50 . . . . . . . . . . . 4726 1 617 . 1 1 60 60 THR HA H 1 4.21 . . . . . . . . . . . 4726 1 618 . 1 1 60 60 THR HB H 1 4.31 . . . . . . . . . . . 4726 1 619 . 1 1 60 60 THR CG2 C 13 22.00 . . . . . . . . . . . 4726 1 620 . 1 1 60 60 THR HG21 H 1 1.39 . . . . . . . . . . . 4726 1 621 . 1 1 60 60 THR HG22 H 1 1.39 . . . . . . . . . . . 4726 1 622 . 1 1 60 60 THR HG23 H 1 1.39 . . . . . . . . . . . 4726 1 623 . 1 1 61 61 ASN N N 15 123.80 . . . . . . . . . . . 4726 1 624 . 1 1 61 61 ASN H H 1 8.66 . . . . . . . . . . . 4726 1 625 . 1 1 61 61 ASN CA C 13 52.90 . . . . . . . . . . . 4726 1 626 . 1 1 61 61 ASN CB C 13 38.40 . . . . . . . . . . . 4726 1 627 . 1 1 61 61 ASN HA H 1 4.80 . . . . . . . . . . . 4726 1 628 . 1 1 61 61 ASN HB3 H 1 2.73 . . . . . . . . . . . 4726 1 629 . 1 1 61 61 ASN HB2 H 1 3.17 . . . . . . . . . . . 4726 1 630 . 1 1 61 61 ASN ND2 N 15 114.30 . . . . . . . . . . . 4726 1 631 . 1 1 61 61 ASN HD21 H 1 7.25 . . . . . . . . . . . 4726 1 632 . 1 1 61 61 ASN HD22 H 1 8.16 . . . . . . . . . . . 4726 1 633 . 1 1 62 62 VAL N N 15 127.20 . . . . . . . . . . . 4726 1 634 . 1 1 62 62 VAL H H 1 8.60 . . . . . . . . . . . 4726 1 635 . 1 1 62 62 VAL CA C 13 64.70 . . . . . . . . . . . 4726 1 636 . 1 1 62 62 VAL CB C 13 31.60 . . . . . . . . . . . 4726 1 637 . 1 1 62 62 VAL HA H 1 3.97 . . . . . . . . . . . 4726 1 638 . 1 1 62 62 VAL HB H 1 2.16 . . . . . . . . . . . 4726 1 639 . 1 1 62 62 VAL CG1 C 13 21.10 . . . . . . . . . . . 4726 1 640 . 1 1 62 62 VAL HG11 H 1 1.10 . . . . . . . . . . . 4726 1 641 . 1 1 62 62 VAL HG12 H 1 1.10 . . . . . . . . . . . 4726 1 642 . 1 1 62 62 VAL HG13 H 1 1.10 . . . . . . . . . . . 4726 1 643 . 1 1 63 63 GLU N N 15 19.70 . . . . . . . . . . . 4726 1 644 . 1 1 63 63 GLU H H 1 7.97 . . . . . . . . . . . 4726 1 645 . 1 1 63 63 GLU CA C 13 58.90 . . . . . . . . . . . 4726 1 646 . 1 1 63 63 GLU CB C 13 29.20 . . . . . . . . . . . 4726 1 647 . 1 1 63 63 GLU HA H 1 4.04 . . . . . . . . . . . 4726 1 648 . 1 1 63 63 GLU HB3 H 1 2.14 . . . . . . . . . . . 4726 1 649 . 1 1 63 63 GLU CG C 13 36.50 . . . . . . . . . . . 4726 1 650 . 1 1 63 63 GLU HG3 H 1 2.29 . . . . . . . . . . . 4726 1 651 . 1 1 63 63 GLU HG2 H 1 2.44 . . . . . . . . . . . 4726 1 652 . 1 1 64 64 ILE N N 15 119.70 . . . . . . . . . . . 4726 1 653 . 1 1 64 64 ILE H H 1 7.75 . . . . . . . . . . . 4726 1 654 . 1 1 64 64 ILE CA C 13 65.90 . . . . . . . . . . . 4726 1 655 . 1 1 64 64 ILE CB C 13 37.70 . . . . . . . . . . . 4726 1 656 . 1 1 64 64 ILE HA H 1 3.44 . . . . . . . . . . . 4726 1 657 . 1 1 64 64 ILE HB H 1 2.18 . . . . . . . . . . . 4726 1 658 . 1 1 64 64 ILE CG1 C 13 31.40 . . . . . . . . . . . 4726 1 659 . 1 1 64 64 ILE HG13 H 1 0.61 . . . . . . . . . . . 4726 1 660 . 1 1 64 64 ILE HG12 H 1 1.56 . . . . . . . . . . . 4726 1 661 . 1 1 64 64 ILE CG2 C 13 17.80 . . . . . . . . . . . 4726 1 662 . 1 1 64 64 ILE HG21 H 1 0.97 . . . . . . . . . . . 4726 1 663 . 1 1 64 64 ILE HG22 H 1 0.97 . . . . . . . . . . . 4726 1 664 . 1 1 64 64 ILE HG23 H 1 0.97 . . . . . . . . . . . 4726 1 665 . 1 1 64 64 ILE CD1 C 13 12.50 . . . . . . . . . . . 4726 1 666 . 1 1 64 64 ILE HD11 H 1 0.76 . . . . . . . . . . . 4726 1 667 . 1 1 64 64 ILE HD12 H 1 0.76 . . . . . . . . . . . 4726 1 668 . 1 1 64 64 ILE HD13 H 1 0.76 . . . . . . . . . . . 4726 1 669 . 1 1 65 65 SER N N 15 113.50 . . . . . . . . . . . 4726 1 670 . 1 1 65 65 SER H H 1 8.35 . . . . . . . . . . . 4726 1 671 . 1 1 65 65 SER CA C 13 62.10 . . . . . . . . . . . 4726 1 672 . 1 1 65 65 SER HA H 1 4.75 . . . . . . . . . . . 4726 1 673 . 1 1 65 65 SER HB2 H 1 4.00 . . . . . . . . . . . 4726 1 674 . 1 1 65 65 SER HB3 H 1 4.00 . . . . . . . . . . . 4726 1 675 . 1 1 66 66 LYS N N 15 119.70 . . . . . . . . . . . 4726 1 676 . 1 1 66 66 LYS H H 1 8.27 . . . . . . . . . . . 4726 1 677 . 1 1 66 66 LYS CA C 13 59.90 . . . . . . . . . . . 4726 1 678 . 1 1 66 66 LYS CB C 13 32.80 . . . . . . . . . . . 4726 1 679 . 1 1 66 66 LYS HA H 1 4.00 . . . . . . . . . . . 4726 1 680 . 1 1 66 66 LYS HB3 H 1 2.01 . . . . . . . . . . . 4726 1 681 . 1 1 66 66 LYS HB2 H 1 2.83 . . . . . . . . . . . 4726 1 682 . 1 1 66 66 LYS CG C 13 25.50 . . . . . . . . . . . 4726 1 683 . 1 1 66 66 LYS HG3 H 1 1.48 . . . . . . . . . . . 4726 1 684 . 1 1 66 66 LYS HG2 H 1 1.69 . . . . . . . . . . . 4726 1 685 . 1 1 66 66 LYS CD C 13 29.50 . . . . . . . . . . . 4726 1 686 . 1 1 66 66 LYS HD3 H 1 1.75 . . . . . . . . . . . 4726 1 687 . 1 1 66 66 LYS HD2 H 1 1.81 . . . . . . . . . . . 4726 1 688 . 1 1 66 66 LYS CE C 13 41.80 . . . . . . . . . . . 4726 1 689 . 1 1 67 67 LEU N N 15 122.80 . . . . . . . . . . . 4726 1 690 . 1 1 67 67 LEU H H 1 7.50 . . . . . . . . . . . 4726 1 691 . 1 1 67 67 LEU CA C 13 57.60 . . . . . . . . . . . 4726 1 692 . 1 1 67 67 LEU CB C 13 41.80 . . . . . . . . . . . 4726 1 693 . 1 1 67 67 LEU HA H 1 4.14 . . . . . . . . . . . 4726 1 694 . 1 1 67 67 LEU HB3 H 1 1.55 . . . . . . . . . . . 4726 1 695 . 1 1 67 67 LEU HB2 H 1 1.77 . . . . . . . . . . . 4726 1 696 . 1 1 67 67 LEU CG C 13 26.90 . . . . . . . . . . . 4726 1 697 . 1 1 67 67 LEU HG H 1 0.45 . . . . . . . . . . . 4726 1 698 . 1 1 67 67 LEU CD1 C 13 22.90 . . . . . . . . . . . 4726 1 699 . 1 1 67 67 LEU HD11 H 1 0.76 . . . . . . . . . . . 4726 1 700 . 1 1 67 67 LEU HD12 H 1 0.76 . . . . . . . . . . . 4726 1 701 . 1 1 67 67 LEU HD13 H 1 0.76 . . . . . . . . . . . 4726 1 702 . 1 1 67 67 LEU CD2 C 13 26.90 . . . . . . . . . . . 4726 1 703 . 1 1 67 67 LEU HD21 H 1 1.56 . . . . . . . . . . . 4726 1 704 . 1 1 67 67 LEU HD22 H 1 1.56 . . . . . . . . . . . 4726 1 705 . 1 1 67 67 LEU HD23 H 1 1.56 . . . . . . . . . . . 4726 1 706 . 1 1 68 68 VAL N N 15 118.60 . . . . . . . . . . . 4726 1 707 . 1 1 68 68 VAL H H 1 8.55 . . . . . . . . . . . 4726 1 708 . 1 1 68 68 VAL CA C 13 66.60 . . . . . . . . . . . 4726 1 709 . 1 1 68 68 VAL CB C 13 31.50 . . . . . . . . . . . 4726 1 710 . 1 1 68 68 VAL HA H 1 3.35 . . . . . . . . . . . 4726 1 711 . 1 1 68 68 VAL HB H 1 2.05 . . . . . . . . . . . 4726 1 712 . 1 1 68 68 VAL CG1 C 13 23.20 . . . . . . . . . . . 4726 1 713 . 1 1 68 68 VAL HG11 H 1 0.85 . . . . . . . . . . . 4726 1 714 . 1 1 68 68 VAL HG12 H 1 0.85 . . . . . . . . . . . 4726 1 715 . 1 1 68 68 VAL HG13 H 1 0.85 . . . . . . . . . . . 4726 1 716 . 1 1 68 68 VAL HG21 H 1 0.99 . . . . . . . . . . . 4726 1 717 . 1 1 68 68 VAL HG22 H 1 0.99 . . . . . . . . . . . 4726 1 718 . 1 1 68 68 VAL HG23 H 1 0.99 . . . . . . . . . . . 4726 1 719 . 1 1 69 69 LYS N N 15 117.50 . . . . . . . . . . . 4726 1 720 . 1 1 69 69 LYS H H 1 7.65 . . . . . . . . . . . 4726 1 721 . 1 1 69 69 LYS CA C 13 59.90 . . . . . . . . . . . 4726 1 722 . 1 1 69 69 LYS CB C 13 32.00 . . . . . . . . . . . 4726 1 723 . 1 1 69 69 LYS HA H 1 3.86 . . . . . . . . . . . 4726 1 724 . 1 1 69 69 LYS HB3 H 1 1.89 . . . . . . . . . . . 4726 1 725 . 1 1 69 69 LYS HB2 H 1 1.98 . . . . . . . . . . . 4726 1 726 . 1 1 69 69 LYS CG C 13 42.00 . . . . . . . . . . . 4726 1 727 . 1 1 69 69 LYS CD C 13 29.40 . . . . . . . . . . . 4726 1 728 . 1 1 69 69 LYS HD3 H 1 1.79 . . . . . . . . . . . 4726 1 729 . 1 1 69 69 LYS CE C 13 25.90 . . . . . . . . . . . 4726 1 730 . 1 1 69 69 LYS HE3 H 1 1.42 . . . . . . . . . . . 4726 1 731 . 1 1 70 70 LYS N N 15 120.70 . . . . . . . . . . . 4726 1 732 . 1 1 70 70 LYS H H 1 7.65 . . . . . . . . . . . 4726 1 733 . 1 1 70 70 LYS CA C 13 59.40 . . . . . . . . . . . 4726 1 734 . 1 1 70 70 LYS CB C 13 32.50 . . . . . . . . . . . 4726 1 735 . 1 1 70 70 LYS HA H 1 3.97 . . . . . . . . . . . 4726 1 736 . 1 1 70 70 LYS HB3 H 1 1.88 . . . . . . . . . . . 4726 1 737 . 1 1 70 70 LYS HB2 H 1 2.01 . . . . . . . . . . . 4726 1 738 . 1 1 70 70 LYS CG C 13 24.30 . . . . . . . . . . . 4726 1 739 . 1 1 70 70 LYS HG3 H 1 1.26 . . . . . . . . . . . 4726 1 740 . 1 1 70 70 LYS HD3 H 1 1.58 . . . . . . . . . . . 4726 1 741 . 1 1 70 70 LYS CE C 13 41.60 . . . . . . . . . . . 4726 1 742 . 1 1 71 71 MET N N 15 121.30 . . . . . . . . . . . 4726 1 743 . 1 1 71 71 MET H H 1 8.55 . . . . . . . . . . . 4726 1 744 . 1 1 71 71 MET CA C 13 59.10 . . . . . . . . . . . 4726 1 745 . 1 1 71 71 MET CB C 13 34.10 . . . . . . . . . . . 4726 1 746 . 1 1 71 71 MET HA H 1 3.62 . . . . . . . . . . . 4726 1 747 . 1 1 71 71 MET HB3 H 1 0.99 . . . . . . . . . . . 4726 1 748 . 1 1 71 71 MET HB2 H 1 1.52 . . . . . . . . . . . 4726 1 749 . 1 1 71 71 MET CG C 13 31.20 . . . . . . . . . . . 4726 1 750 . 1 1 71 71 MET HG3 H 1 1.97 . . . . . . . . . . . 4726 1 751 . 1 1 72 72 ILE N N 15 116.50 . . . . . . . . . . . 4726 1 752 . 1 1 72 72 ILE H H 1 8.24 . . . . . . . . . . . 4726 1 753 . 1 1 72 72 ILE CA C 13 63.10 . . . . . . . . . . . 4726 1 754 . 1 1 72 72 ILE CB C 13 36.00 . . . . . . . . . . . 4726 1 755 . 1 1 72 72 ILE HA H 1 3.44 . . . . . . . . . . . 4726 1 756 . 1 1 72 72 ILE HB H 1 1.96 . . . . . . . . . . . 4726 1 757 . 1 1 72 72 ILE CG2 C 13 17.20 . . . . . . . . . . . 4726 1 758 . 1 1 72 72 ILE HG21 H 1 0.91 . . . . . . . . . . . 4726 1 759 . 1 1 72 72 ILE HG22 H 1 0.91 . . . . . . . . . . . 4726 1 760 . 1 1 72 72 ILE HG23 H 1 0.91 . . . . . . . . . . . 4726 1 761 . 1 1 72 72 ILE CG1 C 13 27.10 . . . . . . . . . . . 4726 1 762 . 1 1 72 72 ILE HG12 H 1 1.46 . . . . . . . . . . . 4726 1 763 . 1 1 72 72 ILE HG13 H 1 1.46 . . . . . . . . . . . 4726 1 764 . 1 1 72 72 ILE CD1 C 13 11.00 . . . . . . . . . . . 4726 1 765 . 1 1 72 72 ILE HD11 H 1 0.79 . . . . . . . . . . . 4726 1 766 . 1 1 72 72 ILE HD12 H 1 0.79 . . . . . . . . . . . 4726 1 767 . 1 1 72 72 ILE HD13 H 1 0.79 . . . . . . . . . . . 4726 1 768 . 1 1 73 73 SER N N 15 113.90 . . . . . . . . . . . 4726 1 769 . 1 1 73 73 SER H H 1 7.49 . . . . . . . . . . . 4726 1 770 . 1 1 73 73 SER CA C 13 61.40 . . . . . . . . . . . 4726 1 771 . 1 1 73 73 SER CB C 13 62.70 . . . . . . . . . . . 4726 1 772 . 1 1 73 73 SER HA H 1 4.26 . . . . . . . . . . . 4726 1 773 . 1 1 73 73 SER HB2 H 1 4.03 . . . . . . . . . . . 4726 1 774 . 1 1 73 73 SER HB3 H 1 4.03 . . . . . . . . . . . 4726 1 775 . 1 1 74 74 SER N N 15 119.00 . . . . . . . . . . . 4726 1 776 . 1 1 74 74 SER H H 1 8.13 . . . . . . . . . . . 4726 1 777 . 1 1 74 74 SER CA C 13 61.40 . . . . . . . . . . . 4726 1 778 . 1 1 74 74 SER CB C 13 63.00 . . . . . . . . . . . 4726 1 779 . 1 1 74 74 SER HA H 1 4.40 . . . . . . . . . . . 4726 1 780 . 1 1 74 74 SER HB2 H 1 4.13 . . . . . . . . . . . 4726 1 781 . 1 1 74 74 SER HB3 H 1 4.13 . . . . . . . . . . . 4726 1 782 . 1 1 75 75 TRP N N 15 124.80 . . . . . . . . . . . 4726 1 783 . 1 1 75 75 TRP H H 1 9.00 . . . . . . . . . . . 4726 1 784 . 1 1 75 75 TRP CA C 13 58.10 . . . . . . . . . . . 4726 1 785 . 1 1 75 75 TRP CB C 13 28.70 . . . . . . . . . . . 4726 1 786 . 1 1 75 75 TRP HA H 1 4.78 . . . . . . . . . . . 4726 1 787 . 1 1 75 75 TRP HB3 H 1 3.10 . . . . . . . . . . . 4726 1 788 . 1 1 75 75 TRP HB2 H 1 3.58 . . . . . . . . . . . 4726 1 789 . 1 1 75 75 TRP HD1 H 1 7.17 . . . . . . . . . . . 4726 1 790 . 1 1 75 75 TRP HH2 H 1 7.44 . . . . . . . . . . . 4726 1 791 . 1 1 75 75 TRP HZ3 H 1 6.67 . . . . . . . . . . . 4726 1 792 . 1 1 75 75 TRP HZ2 H 1 6.78 . . . . . . . . . . . 4726 1 793 . 1 1 75 75 TRP HE3 H 1 7.75 . . . . . . . . . . . 4726 1 794 . 1 1 76 76 LYS N N 15 119.70 . . . . . . . . . . . 4726 1 795 . 1 1 76 76 LYS H H 1 8.19 . . . . . . . . . . . 4726 1 796 . 1 1 76 76 LYS CA C 13 59.80 . . . . . . . . . . . 4726 1 797 . 1 1 76 76 LYS CB C 13 32.10 . . . . . . . . . . . 4726 1 798 . 1 1 76 76 LYS HA H 1 4.09 . . . . . . . . . . . 4726 1 799 . 1 1 76 76 LYS HB3 H 1 2.04 . . . . . . . . . . . 4726 1 800 . 1 1 76 76 LYS HB2 H 1 2.32 . . . . . . . . . . . 4726 1 801 . 1 1 76 76 LYS CG C 13 29.50 . . . . . . . . . . . 4726 1 802 . 1 1 76 76 LYS HG3 H 1 1.77 . . . . . . . . . . . 4726 1 803 . 1 1 76 76 LYS HG2 H 1 2.30 . . . . . . . . . . . 4726 1 804 . 1 1 76 76 LYS CD C 13 25.20 . . . . . . . . . . . 4726 1 805 . 1 1 76 76 LYS HD3 H 1 3.07 . . . . . . . . . . . 4726 1 806 . 1 1 76 76 LYS CE C 13 41.90 . . . . . . . . . . . 4726 1 807 . 1 1 77 77 ASP N N 15 119.40 . . . . . . . . . . . 4726 1 808 . 1 1 77 77 ASP H H 1 8.03 . . . . . . . . . . . 4726 1 809 . 1 1 77 77 ASP CA C 13 57.20 . . . . . . . . . . . 4726 1 810 . 1 1 77 77 ASP CB C 13 40.90 . . . . . . . . . . . 4726 1 811 . 1 1 77 77 ASP HA H 1 4.55 . . . . . . . . . . . 4726 1 812 . 1 1 77 77 ASP HB3 H 1 2.83 . . . . . . . . . . . 4726 1 813 . 1 1 77 77 ASP HB2 H 1 2.96 . . . . . . . . . . . 4726 1 814 . 1 1 78 78 ALA N N 15 122.00 . . . . . . . . . . . 4726 1 815 . 1 1 78 78 ALA H H 1 8.20 . . . . . . . . . . . 4726 1 816 . 1 1 78 78 ALA CA C 13 54.90 . . . . . . . . . . . 4726 1 817 . 1 1 78 78 ALA CB C 13 18.60 . . . . . . . . . . . 4726 1 818 . 1 1 78 78 ALA HA H 1 4.18 . . . . . . . . . . . 4726 1 819 . 1 1 78 78 ALA HB1 H 1 1.65 . . . . . . . . . . . 4726 1 820 . 1 1 78 78 ALA HB2 H 1 1.65 . . . . . . . . . . . 4726 1 821 . 1 1 78 78 ALA HB3 H 1 1.65 . . . . . . . . . . . 4726 1 822 . 1 1 79 79 ILE N N 15 116.70 . . . . . . . . . . . 4726 1 823 . 1 1 79 79 ILE H H 1 7.92 . . . . . . . . . . . 4726 1 824 . 1 1 79 79 ILE CA C 13 62.80 . . . . . . . . . . . 4726 1 825 . 1 1 79 79 ILE CB C 13 37.30 . . . . . . . . . . . 4726 1 826 . 1 1 79 79 ILE HA H 1 4.03 . . . . . . . . . . . 4726 1 827 . 1 1 79 79 ILE HB H 1 2.13 . . . . . . . . . . . 4726 1 828 . 1 1 79 79 ILE CG1 C 13 27.80 . . . . . . . . . . . 4726 1 829 . 1 1 79 79 ILE HG12 H 1 1.54 . . . . . . . . . . . 4726 1 830 . 1 1 79 79 ILE HG13 H 1 0.97 . . . . . . . . . . . 4726 1 831 . 1 1 79 79 ILE CG2 C 13 17.20 . . . . . . . . . . . 4726 1 832 . 1 1 79 79 ILE CD1 C 13 12.40 . . . . . . . . . . . 4726 1 833 . 1 1 80 80 ASN N N 15 120.40 . . . . . . . . . . . 4726 1 834 . 1 1 80 80 ASN H H 1 8.13 . . . . . . . . . . . 4726 1 835 . 1 1 80 80 ASN CA C 13 55.20 . . . . . . . . . . . 4726 1 836 . 1 1 80 80 ASN CB C 13 38.10 . . . . . . . . . . . 4726 1 837 . 1 1 80 80 ASN HA H 1 4.68 . . . . . . . . . . . 4726 1 838 . 1 1 80 80 ASN HB3 H 1 3.02 . . . . . . . . . . . 4726 1 839 . 1 1 80 80 ASN HB2 H 1 2.94 . . . . . . . . . . . 4726 1 stop_ save_