data_4223 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4223 _Entry.Title ; Solution Structure of a TBP-TAFII230 Complex: Protein Mimicry of the Minor Groove Surface of the TATA Box Unwound by TBP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-16 _Entry.Accession_date 1999-04-12 _Entry.Last_release_date 1999-12-06 _Entry.Original_release_date 1999-12-06 _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 D. Liu . . . 4223 2 R. Ishima . . . 4223 3 K. Tong . I. . 4223 4 S. Baby . . . 4223 5 T. Kokubo . . . 4223 6 D. Muhandiram . R. . 4223 7 L. Kay . E. . 4223 8 Y. Nakatani . . . 4223 9 M. Ikura . . . 4223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 4223 '15N chemical shifts' 69 4223 '1H chemical shifts' 400 4223 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 . . 1999-12-06 1998-08-16 original author . 4223 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1TBA 'BMRB Entry Tracking System' 4223 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4223 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98412653 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of a TBP-TAFII230 Complex: Protein Mimicry of the Minor Groove Surface of the TATA Box Unwound by TB ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 94 _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 573 _Citation.Page_last 583 _Citation.Year 1998 _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 Dingjiang Liu . . . 4223 1 2 R. Ishima . . . 4223 1 3 K. Tong . I. . 4223 1 4 S. Bagby . . . 4223 1 5 T. Kokubo . . . 4223 1 6 D. Muhandiram . R. . 4223 1 7 L. Kay . E. . 4223 1 8 Y. Nakatani . . . 4223 1 9 M. Ikura . . . 4223 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR solution structure' 4223 1 TAF 4223 1 TAFII230 4223 1 TBP 4223 1 TFIID 4223 1 'Transcription factors' 4223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_TAFII230 _Assembly.Sf_category assembly _Assembly.Sf_framecode TAFII230 _Assembly.Entry_ID 4223 _Assembly.ID 1 _Assembly.Name 'TATA box binding protein associated factor II 230' _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 4223 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 TAFII230 1 $TAF . . . native . . . . . 4223 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1TBA . 'A Chain A, Solution Structure Of A Tbp-Tafii230 Complex: Protein Mimicry Of The Minor Groove Surface Of The Tata Box Unwound By Tbp, Nmr, 25 Structures' . . . . 4223 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TAFII230 abbreviation 4223 1 'TATA box binding protein associated factor II 230' system 4223 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 4223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAF _Entity.Sf_category entity _Entity.Sf_framecode TAF _Entity.Entry_ID 4223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TATA box binding protein associated factor' _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 ; EGSIGNGLDLTGILFGNIDS EGRLLQDDDGEGRGGTGFDA ELRENIGSLSKLGLDSMLLE VIDLKEA ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1TBA . "Solution Structure Of A Tbp-Tafii230 Complex: Protein Mimicry Of The Minor Groove Surface Of The Tata Box Unwound By Tbp, Nmr, " . . . . . 100.00 67 100.00 100.00 3.04e-34 . . . . 4223 1 2 no GB AAB26991 . "transcription factor TFIID 230 kda subunit [Drosophila melanogaster]" . . . . . 100.00 2068 100.00 100.00 1.73e-33 . . . . 4223 1 3 no GB AAD19815 . "transcription factor [Drosophila melanogaster]" . . . . . 100.00 2065 100.00 100.00 1.31e-33 . . . . 4223 1 4 no GB AAF54102 . "TBP-associated factor 1, isoform A [Drosophila melanogaster]" . . . . . 100.00 2065 100.00 100.00 1.31e-33 . . . . 4223 1 5 no GB AAO47866 . "RE74933p [Drosophila melanogaster]" . . . . . 100.00 2096 100.00 100.00 2.26e-33 . . . . 4223 1 6 no GB AAS65116 . "TBP-associated factor 1, isoform B [Drosophila melanogaster]" . . . . . 100.00 2129 100.00 100.00 1.75e-33 . . . . 4223 1 7 no REF NP_001163532 . "TBP-associated factor 1, isoform D [Drosophila melanogaster]" . . . . . 100.00 2096 100.00 100.00 1.95e-33 . . . . 4223 1 8 no REF NP_001246952 . "TBP-associated factor 1, isoform E [Drosophila melanogaster]" . . . . . 100.00 2172 100.00 100.00 1.33e-33 . . . . 4223 1 9 no REF NP_001287201 . "TBP-associated factor 1, isoform F [Drosophila melanogaster]" . . . . . 100.00 2097 100.00 100.00 1.95e-33 . . . . 4223 1 10 no REF NP_476956 . "TBP-associated factor 1, isoform A [Drosophila melanogaster]" . . . . . 100.00 2065 100.00 100.00 1.31e-33 . . . . 4223 1 11 no REF NP_996159 . "TBP-associated factor 1, isoform C [Drosophila melanogaster]" . . . . . 100.00 2098 100.00 100.00 1.28e-33 . . . . 4223 1 12 no SP P51123 . "RecName: Full=Transcription initiation factor TFIID subunit 1; AltName: Full=TAFII250; AltName: Full=TBP-associated factor 230 " . . . . . 100.00 2129 100.00 100.00 1.75e-33 . . . . 4223 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TAF abbreviation 4223 1 'TATA box binding protein associated factor' common 4223 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 . GLU . 4223 1 2 . GLY . 4223 1 3 . SER . 4223 1 4 . ILE . 4223 1 5 . GLY . 4223 1 6 . ASN . 4223 1 7 . GLY . 4223 1 8 . LEU . 4223 1 9 . ASP . 4223 1 10 . LEU . 4223 1 11 . THR . 4223 1 12 . GLY . 4223 1 13 . ILE . 4223 1 14 . LEU . 4223 1 15 . PHE . 4223 1 16 . GLY . 4223 1 17 . ASN . 4223 1 18 . ILE . 4223 1 19 . ASP . 4223 1 20 . SER . 4223 1 21 . GLU . 4223 1 22 . GLY . 4223 1 23 . ARG . 4223 1 24 . LEU . 4223 1 25 . LEU . 4223 1 26 . GLN . 4223 1 27 . ASP . 4223 1 28 . ASP . 4223 1 29 . ASP . 4223 1 30 . GLY . 4223 1 31 . GLU . 4223 1 32 . GLY . 4223 1 33 . ARG . 4223 1 34 . GLY . 4223 1 35 . GLY . 4223 1 36 . THR . 4223 1 37 . GLY . 4223 1 38 . PHE . 4223 1 39 . ASP . 4223 1 40 . ALA . 4223 1 41 . GLU . 4223 1 42 . LEU . 4223 1 43 . ARG . 4223 1 44 . GLU . 4223 1 45 . ASN . 4223 1 46 . ILE . 4223 1 47 . GLY . 4223 1 48 . SER . 4223 1 49 . LEU . 4223 1 50 . SER . 4223 1 51 . LYS . 4223 1 52 . LEU . 4223 1 53 . GLY . 4223 1 54 . LEU . 4223 1 55 . ASP . 4223 1 56 . SER . 4223 1 57 . MET . 4223 1 58 . LEU . 4223 1 59 . LEU . 4223 1 60 . GLU . 4223 1 61 . VAL . 4223 1 62 . ILE . 4223 1 63 . ASP . 4223 1 64 . LEU . 4223 1 65 . LYS . 4223 1 66 . GLU . 4223 1 67 . ALA . 4223 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 . GLU 1 1 4223 1 . GLY 2 2 4223 1 . SER 3 3 4223 1 . ILE 4 4 4223 1 . GLY 5 5 4223 1 . ASN 6 6 4223 1 . GLY 7 7 4223 1 . LEU 8 8 4223 1 . ASP 9 9 4223 1 . LEU 10 10 4223 1 . THR 11 11 4223 1 . GLY 12 12 4223 1 . ILE 13 13 4223 1 . LEU 14 14 4223 1 . PHE 15 15 4223 1 . GLY 16 16 4223 1 . ASN 17 17 4223 1 . ILE 18 18 4223 1 . ASP 19 19 4223 1 . SER 20 20 4223 1 . GLU 21 21 4223 1 . GLY 22 22 4223 1 . ARG 23 23 4223 1 . LEU 24 24 4223 1 . LEU 25 25 4223 1 . GLN 26 26 4223 1 . ASP 27 27 4223 1 . ASP 28 28 4223 1 . ASP 29 29 4223 1 . GLY 30 30 4223 1 . GLU 31 31 4223 1 . GLY 32 32 4223 1 . ARG 33 33 4223 1 . GLY 34 34 4223 1 . GLY 35 35 4223 1 . THR 36 36 4223 1 . GLY 37 37 4223 1 . PHE 38 38 4223 1 . ASP 39 39 4223 1 . ALA 40 40 4223 1 . GLU 41 41 4223 1 . LEU 42 42 4223 1 . ARG 43 43 4223 1 . GLU 44 44 4223 1 . ASN 45 45 4223 1 . ILE 46 46 4223 1 . GLY 47 47 4223 1 . SER 48 48 4223 1 . LEU 49 49 4223 1 . SER 50 50 4223 1 . LYS 51 51 4223 1 . LEU 52 52 4223 1 . GLY 53 53 4223 1 . LEU 54 54 4223 1 . ASP 55 55 4223 1 . SER 56 56 4223 1 . MET 57 57 4223 1 . LEU 58 58 4223 1 . LEU 59 59 4223 1 . GLU 60 60 4223 1 . VAL 61 61 4223 1 . ILE 62 62 4223 1 . ASP 63 63 4223 1 . LEU 64 64 4223 1 . LYS 65 65 4223 1 . GLU 66 66 4223 1 . ALA 67 67 4223 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 4223 _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 $TAF . 7215 organism . Drosophila Drosophila . . Eukaryota Metazoa Drosophila . . . . . . . . . . . . . . . . . . . . . . 4223 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 4223 _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 $TAF . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . 'Escherichia coli' . BL21 . . . . . . . . . . . . . . . . . . . . . . 4223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4223 _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 'TATA box binding protein associated factor' '[U-13C; U-15N; U60%-2H]' . . 1 $TAF . . 1.0 0.6 1.25 mM . . . . 4223 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4223 _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 'TATA box binding protein associated factor' '[U-13C; U-15N]' . . 1 $TAF . . 1.0 . . mM . . . . 4223 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4223 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.75 . M 4223 1 pH 7.0 0.2 n/a 4223 1 temperature 298 1 K 4223 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 4223 _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 4223 _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' . . 4223 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 4223 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4223 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4223 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4223 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4223 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4223 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4223 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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_1 . 4223 1 . . 2 $sample_2 . 4223 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 ILE N N 15 122.43 . . 1 . . . . . . . . 4223 1 2 . 1 1 4 4 ILE H H 1 8.25 . . 1 . . . . . . . . 4223 1 3 . 1 1 4 4 ILE CA C 13 61.60 . . 1 . . . . . . . . 4223 1 4 . 1 1 4 4 ILE HA H 1 4.22 . . 1 . . . . . . . . 4223 1 5 . 1 1 4 4 ILE CB C 13 38.74 . . 1 . . . . . . . . 4223 1 6 . 1 1 4 4 ILE HB H 1 1.94 . . 1 . . . . . . . . 4223 1 7 . 1 1 4 4 ILE CG1 C 13 27.62 . . 1 . . . . . . . . 4223 1 8 . 1 1 4 4 ILE HG12 H 1 1.47 . . 1 . . . . . . . . 4223 1 9 . 1 1 4 4 ILE HG13 H 1 1.19 . . 1 . . . . . . . . 4223 1 10 . 1 1 4 4 ILE CD1 C 13 13.24 . . 1 . . . . . . . . 4223 1 11 . 1 1 4 4 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 4223 1 12 . 1 1 4 4 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 4223 1 13 . 1 1 4 4 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 4223 1 14 . 1 1 4 4 ILE CG2 C 13 17.67 . . 1 . . . . . . . . 4223 1 15 . 1 1 4 4 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4223 1 16 . 1 1 4 4 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4223 1 17 . 1 1 4 4 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4223 1 18 . 1 1 4 4 ILE C C 13 176.74 . . 1 . . . . . . . . 4223 1 19 . 1 1 5 5 GLY N N 15 112.57 . . 1 . . . . . . . . 4223 1 20 . 1 1 5 5 GLY H H 1 8.43 . . 1 . . . . . . . . 4223 1 21 . 1 1 5 5 GLY CA C 13 45.51 . . 1 . . . . . . . . 4223 1 22 . 1 1 5 5 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4223 1 23 . 1 1 5 5 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 4223 1 24 . 1 1 5 5 GLY C C 13 173.97 . . 1 . . . . . . . . 4223 1 25 . 1 1 6 6 ASN N N 15 119.27 . . 1 . . . . . . . . 4223 1 26 . 1 1 6 6 ASN H H 1 8.40 . . 1 . . . . . . . . 4223 1 27 . 1 1 6 6 ASN CA C 13 53.24 . . 1 . . . . . . . . 4223 1 28 . 1 1 6 6 ASN HA H 1 4.78 . . 1 . . . . . . . . 4223 1 29 . 1 1 6 6 ASN CB C 13 39.21 . . 1 . . . . . . . . 4223 1 30 . 1 1 6 6 ASN HB2 H 1 2.89 . . 1 . . . . . . . . 4223 1 31 . 1 1 6 6 ASN HB3 H 1 2.78 . . 1 . . . . . . . . 4223 1 32 . 1 1 6 6 ASN ND2 N 15 113.06 . . 1 . . . . . . . . 4223 1 33 . 1 1 6 6 ASN HD21 H 1 6.91 . . 1 . . . . . . . . 4223 1 34 . 1 1 6 6 ASN HD22 H 1 7.61 . . 1 . . . . . . . . 4223 1 35 . 1 1 6 6 ASN C C 13 175.70 . . 1 . . . . . . . . 4223 1 36 . 1 1 7 7 GLY N N 15 109.53 . . 1 . . . . . . . . 4223 1 37 . 1 1 7 7 GLY H H 1 8.44 . . 1 . . . . . . . . 4223 1 38 . 1 1 7 7 GLY CA C 13 45.55 . . 1 . . . . . . . . 4223 1 39 . 1 1 7 7 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4223 1 40 . 1 1 7 7 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4223 1 41 . 1 1 7 7 GLY C C 13 173.57 . . 1 . . . . . . . . 4223 1 42 . 1 1 8 8 LEU N N 15 122.35 . . 1 . . . . . . . . 4223 1 43 . 1 1 8 8 LEU H H 1 7.99 . . 1 . . . . . . . . 4223 1 44 . 1 1 8 8 LEU CA C 13 54.92 . . 1 . . . . . . . . 4223 1 45 . 1 1 8 8 LEU HA H 1 4.30 . . 1 . . . . . . . . 4223 1 46 . 1 1 8 8 LEU CB C 13 43.64 . . 1 . . . . . . . . 4223 1 47 . 1 1 8 8 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 4223 1 48 . 1 1 8 8 LEU HB3 H 1 1.32 . . 1 . . . . . . . . 4223 1 49 . 1 1 8 8 LEU CG C 13 27.16 . . 1 . . . . . . . . 4223 1 50 . 1 1 8 8 LEU HG H 1 1.28 . . 1 . . . . . . . . 4223 1 51 . 1 1 8 8 LEU CD1 C 13 24.05 . . 1 . . . . . . . . 4223 1 52 . 1 1 8 8 LEU HD11 H 1 0.67 . . 1 . . . . . . . . 4223 1 53 . 1 1 8 8 LEU HD12 H 1 0.67 . . 1 . . . . . . . . 4223 1 54 . 1 1 8 8 LEU HD13 H 1 0.67 . . 1 . . . . . . . . 4223 1 55 . 1 1 8 8 LEU CD2 C 13 24.75 . . 1 . . . . . . . . 4223 1 56 . 1 1 8 8 LEU HD21 H 1 0.57 . . 1 . . . . . . . . 4223 1 57 . 1 1 8 8 LEU HD22 H 1 0.57 . . 1 . . . . . . . . 4223 1 58 . 1 1 8 8 LEU HD23 H 1 0.57 . . 1 . . . . . . . . 4223 1 59 . 1 1 8 8 LEU C C 13 175.42 . . 1 . . . . . . . . 4223 1 60 . 1 1 9 9 ASP N N 15 124.87 . . 1 . . . . . . . . 4223 1 61 . 1 1 9 9 ASP H H 1 8.46 . . 1 . . . . . . . . 4223 1 62 . 1 1 9 9 ASP CA C 13 53.74 . . 1 . . . . . . . . 4223 1 63 . 1 1 9 9 ASP HA H 1 4.72 . . 1 . . . . . . . . 4223 1 64 . 1 1 9 9 ASP CB C 13 41.85 . . 1 . . . . . . . . 4223 1 65 . 1 1 9 9 ASP HB2 H 1 2.88 . . 1 . . . . . . . . 4223 1 66 . 1 1 9 9 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4223 1 67 . 1 1 9 9 ASP C C 13 176.89 . . 1 . . . . . . . . 4223 1 68 . 1 1 10 10 LEU N N 15 125.85 . . 1 . . . . . . . . 4223 1 69 . 1 1 10 10 LEU H H 1 8.63 . . 1 . . . . . . . . 4223 1 70 . 1 1 10 10 LEU CA C 13 54.82 . . 1 . . . . . . . . 4223 1 71 . 1 1 10 10 LEU HA H 1 4.38 . . 1 . . . . . . . . 4223 1 72 . 1 1 10 10 LEU CB C 13 42.47 . . 1 . . . . . . . . 4223 1 73 . 1 1 10 10 LEU HB2 H 1 1.66 . . 1 . . . . . . . . 4223 1 74 . 1 1 10 10 LEU CG C 13 26.85 . . 1 . . . . . . . . 4223 1 75 . 1 1 10 10 LEU HG H 1 1.32 . . 1 . . . . . . . . 4223 1 76 . 1 1 10 10 LEU CD1 C 13 25.55 . . 1 . . . . . . . . 4223 1 77 . 1 1 10 10 LEU HD11 H 1 0.46 . . 1 . . . . . . . . 4223 1 78 . 1 1 10 10 LEU HD12 H 1 0.46 . . 1 . . . . . . . . 4223 1 79 . 1 1 10 10 LEU HD13 H 1 0.46 . . 1 . . . . . . . . 4223 1 80 . 1 1 10 10 LEU CD2 C 13 22.87 . . 1 . . . . . . . . 4223 1 81 . 1 1 10 10 LEU HD21 H 1 0.34 . . 1 . . . . . . . . 4223 1 82 . 1 1 10 10 LEU HD22 H 1 0.34 . . 1 . . . . . . . . 4223 1 83 . 1 1 10 10 LEU HD23 H 1 0.34 . . 1 . . . . . . . . 4223 1 84 . 1 1 10 10 LEU C C 13 176.52 . . 1 . . . . . . . . 4223 1 85 . 1 1 11 11 THR N N 15 117.45 . . 1 . . . . . . . . 4223 1 86 . 1 1 11 11 THR H H 1 8.26 . . 1 . . . . . . . . 4223 1 87 . 1 1 11 11 THR CA C 13 67.50 . . 1 . . . . . . . . 4223 1 88 . 1 1 11 11 THR HA H 1 3.92 . . 1 . . . . . . . . 4223 1 89 . 1 1 11 11 THR CB C 13 67.90 . . 1 . . . . . . . . 4223 1 90 . 1 1 11 11 THR HB H 1 3.53 . . 1 . . . . . . . . 4223 1 91 . 1 1 11 11 THR CG2 C 13 22.15 . . 1 . . . . . . . . 4223 1 92 . 1 1 11 11 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4223 1 93 . 1 1 11 11 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4223 1 94 . 1 1 11 11 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4223 1 95 . 1 1 11 11 THR C C 13 175.31 . . 1 . . . . . . . . 4223 1 96 . 1 1 12 12 GLY N N 15 106.28 . . 1 . . . . . . . . 4223 1 97 . 1 1 12 12 GLY H H 1 9.27 . . 1 . . . . . . . . 4223 1 98 . 1 1 12 12 GLY CA C 13 47.94 . . 1 . . . . . . . . 4223 1 99 . 1 1 12 12 GLY HA2 H 1 3.57 . . 1 . . . . . . . . 4223 1 100 . 1 1 12 12 GLY C C 13 174.95 . . 1 . . . . . . . . 4223 1 101 . 1 1 13 13 ILE N N 15 115.31 . . 1 . . . . . . . . 4223 1 102 . 1 1 13 13 ILE H H 1 8.05 . . 1 . . . . . . . . 4223 1 103 . 1 1 13 13 ILE CA C 13 63.36 . . 1 . . . . . . . . 4223 1 104 . 1 1 13 13 ILE HA H 1 4.45 . . 1 . . . . . . . . 4223 1 105 . 1 1 13 13 ILE CB C 13 39.66 . . 1 . . . . . . . . 4223 1 106 . 1 1 13 13 ILE HB H 1 1.89 . . 1 . . . . . . . . 4223 1 107 . 1 1 13 13 ILE CG1 C 13 27.14 . . 1 . . . . . . . . 4223 1 108 . 1 1 13 13 ILE HG12 H 1 1.40 . . 1 . . . . . . . . 4223 1 109 . 1 1 13 13 ILE HG13 H 1 1.40 . . 1 . . . . . . . . 4223 1 110 . 1 1 13 13 ILE CD1 C 13 15.35 . . 1 . . . . . . . . 4223 1 111 . 1 1 13 13 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4223 1 112 . 1 1 13 13 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4223 1 113 . 1 1 13 13 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4223 1 114 . 1 1 13 13 ILE CG2 C 13 18.23 . . 1 . . . . . . . . 4223 1 115 . 1 1 13 13 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4223 1 116 . 1 1 13 13 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4223 1 117 . 1 1 13 13 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4223 1 118 . 1 1 13 13 ILE C C 13 177.58 . . 1 . . . . . . . . 4223 1 119 . 1 1 14 14 LEU N N 15 117.96 . . 1 . . . . . . . . 4223 1 120 . 1 1 14 14 LEU H H 1 7.72 . . 1 . . . . . . . . 4223 1 121 . 1 1 14 14 LEU CA C 13 57.31 . . 1 . . . . . . . . 4223 1 122 . 1 1 14 14 LEU HA H 1 3.57 . . 1 . . . . . . . . 4223 1 123 . 1 1 14 14 LEU CB C 13 42.09 . . 1 . . . . . . . . 4223 1 124 . 1 1 14 14 LEU HB2 H 1 1.40 . . 1 . . . . . . . . 4223 1 125 . 1 1 14 14 LEU HG H 1 1.60 . . 1 . . . . . . . . 4223 1 126 . 1 1 14 14 LEU CD1 C 13 25.63 . . 1 . . . . . . . . 4223 1 127 . 1 1 14 14 LEU HD11 H 1 0.73 . . 1 . . . . . . . . 4223 1 128 . 1 1 14 14 LEU HD12 H 1 0.73 . . 1 . . . . . . . . 4223 1 129 . 1 1 14 14 LEU HD13 H 1 0.73 . . 1 . . . . . . . . 4223 1 130 . 1 1 14 14 LEU CD2 C 13 22.26 . . 1 . . . . . . . . 4223 1 131 . 1 1 14 14 LEU HD21 H 1 0.54 . . 1 . . . . . . . . 4223 1 132 . 1 1 14 14 LEU HD22 H 1 0.54 . . 1 . . . . . . . . 4223 1 133 . 1 1 14 14 LEU HD23 H 1 0.54 . . 1 . . . . . . . . 4223 1 134 . 1 1 14 14 LEU C C 13 177.03 . . 1 . . . . . . . . 4223 1 135 . 1 1 15 15 PHE N N 15 112.58 . . 1 . . . . . . . . 4223 1 136 . 1 1 15 15 PHE H H 1 7.54 . . 1 . . . . . . . . 4223 1 137 . 1 1 15 15 PHE CA C 13 59.27 . . 1 . . . . . . . . 4223 1 138 . 1 1 15 15 PHE HA H 1 4.27 . . 1 . . . . . . . . 4223 1 139 . 1 1 15 15 PHE CB C 13 42.34 . . 1 . . . . . . . . 4223 1 140 . 1 1 15 15 PHE HB3 H 1 3.12 . . 1 . . . . . . . . 4223 1 141 . 1 1 15 15 PHE HB2 H 1 2.71 . . 1 . . . . . . . . 4223 1 142 . 1 1 15 15 PHE HD1 H 1 6.99 . . 1 . . . . . . . . 4223 1 143 . 1 1 15 15 PHE HE1 H 1 6.85 . . 1 . . . . . . . . 4223 1 144 . 1 1 15 15 PHE HZ H 1 6.80 . . 1 . . . . . . . . 4223 1 145 . 1 1 15 15 PHE HE2 H 1 6.85 . . 1 . . . . . . . . 4223 1 146 . 1 1 15 15 PHE HD2 H 1 6.99 . . 1 . . . . . . . . 4223 1 147 . 1 1 15 15 PHE C C 13 174.31 . . 1 . . . . . . . . 4223 1 148 . 1 1 16 16 GLY N N 15 107.55 . . 1 . . . . . . . . 4223 1 149 . 1 1 16 16 GLY H H 1 7.56 . . 1 . . . . . . . . 4223 1 150 . 1 1 16 16 GLY CA C 13 46.08 . . 1 . . . . . . . . 4223 1 151 . 1 1 16 16 GLY HA2 H 1 3.69 . . 1 . . . . . . . . 4223 1 152 . 1 1 16 16 GLY HA3 H 1 4.21 . . 1 . . . . . . . . 4223 1 153 . 1 1 17 17 ASN N N 15 112.83 . . 1 . . . . . . . . 4223 1 154 . 1 1 17 17 ASN H H 1 8.16 . . 1 . . . . . . . . 4223 1 155 . 1 1 17 17 ASN CA C 13 55.58 . . 1 . . . . . . . . 4223 1 156 . 1 1 17 17 ASN HA H 1 4.20 . . 1 . . . . . . . . 4223 1 157 . 1 1 17 17 ASN CB C 13 40.73 . . 1 . . . . . . . . 4223 1 158 . 1 1 17 17 ASN HB2 H 1 2.52 . . 1 . . . . . . . . 4223 1 159 . 1 1 17 17 ASN HB3 H 1 2.39 . . 1 . . . . . . . . 4223 1 160 . 1 1 17 17 ASN ND2 N 15 113.68 . . 1 . . . . . . . . 4223 1 161 . 1 1 17 17 ASN HD21 H 1 6.52 . . 1 . . . . . . . . 4223 1 162 . 1 1 17 17 ASN HD22 H 1 7.90 . . 1 . . . . . . . . 4223 1 163 . 1 1 18 18 ILE N N 15 107.98 . . 1 . . . . . . . . 4223 1 164 . 1 1 18 18 ILE H H 1 6.20 . . 1 . . . . . . . . 4223 1 165 . 1 1 18 18 ILE CA C 13 58.47 . . 1 . . . . . . . . 4223 1 166 . 1 1 18 18 ILE HA H 1 5.50 . . 1 . . . . . . . . 4223 1 167 . 1 1 18 18 ILE CB C 13 41.09 . . 1 . . . . . . . . 4223 1 168 . 1 1 18 18 ILE CD1 C 13 14.19 . . 1 . . . . . . . . 4223 1 169 . 1 1 18 18 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4223 1 170 . 1 1 18 18 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4223 1 171 . 1 1 18 18 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4223 1 172 . 1 1 18 18 ILE CG2 C 13 16.79 . . 1 . . . . . . . . 4223 1 173 . 1 1 18 18 ILE HG21 H 1 0.60 . . 1 . . . . . . . . 4223 1 174 . 1 1 18 18 ILE HG22 H 1 0.60 . . 1 . . . . . . . . 4223 1 175 . 1 1 18 18 ILE HG23 H 1 0.60 . . 1 . . . . . . . . 4223 1 176 . 1 1 19 19 ASP N N 15 122.18 . . 1 . . . . . . . . 4223 1 177 . 1 1 19 19 ASP H H 1 8.55 . . 1 . . . . . . . . 4223 1 178 . 1 1 19 19 ASP CA C 13 52.56 . . 1 . . . . . . . . 4223 1 179 . 1 1 19 19 ASP HA H 1 4.65 . . 1 . . . . . . . . 4223 1 180 . 1 1 19 19 ASP CB C 13 42.38 . . 1 . . . . . . . . 4223 1 181 . 1 1 19 19 ASP HB2 H 1 3.40 . . 1 . . . . . . . . 4223 1 182 . 1 1 19 19 ASP HB3 H 1 2.61 . . 1 . . . . . . . . 4223 1 183 . 1 1 20 20 SER N N 15 111.36 . . 1 . . . . . . . . 4223 1 184 . 1 1 20 20 SER H H 1 8.30 . . 1 . . . . . . . . 4223 1 185 . 1 1 20 20 SER CA C 13 61.12 . . 1 . . . . . . . . 4223 1 186 . 1 1 20 20 SER HA H 1 4.18 . . 1 . . . . . . . . 4223 1 187 . 1 1 20 20 SER CB C 13 63.95 . . 1 . . . . . . . . 4223 1 188 . 1 1 20 20 SER HB3 H 1 3.96 . . 1 . . . . . . . . 4223 1 189 . 1 1 21 21 GLU N N 15 118.04 . . 1 . . . . . . . . 4223 1 190 . 1 1 21 21 GLU H H 1 8.09 . . 1 . . . . . . . . 4223 1 191 . 1 1 21 21 GLU CA C 13 55.57 . . 1 . . . . . . . . 4223 1 192 . 1 1 21 21 GLU HA H 1 4.41 . . 1 . . . . . . . . 4223 1 193 . 1 1 21 21 GLU CB C 13 31.08 . . 1 . . . . . . . . 4223 1 194 . 1 1 21 21 GLU HB3 H 1 2.30 . . 1 . . . . . . . . 4223 1 195 . 1 1 21 21 GLU HB2 H 1 1.90 . . 1 . . . . . . . . 4223 1 196 . 1 1 21 21 GLU CG C 13 36.78 . . 1 . . . . . . . . 4223 1 197 . 1 1 21 21 GLU HG2 H 1 2.20 . . 1 . . . . . . . . 4223 1 198 . 1 1 21 21 GLU HG3 H 1 2.09 . . 1 . . . . . . . . 4223 1 199 . 1 1 22 22 GLY N N 15 108.05 . . 1 . . . . . . . . 4223 1 200 . 1 1 22 22 GLY H H 1 8.16 . . 1 . . . . . . . . 4223 1 201 . 1 1 22 22 GLY CA C 13 45.58 . . 1 . . . . . . . . 4223 1 202 . 1 1 23 23 ARG N N 15 122.19 . . 1 . . . . . . . . 4223 1 203 . 1 1 23 23 ARG H H 1 8.48 . . 1 . . . . . . . . 4223 1 204 . 1 1 23 23 ARG CA C 13 56.28 . . 1 . . . . . . . . 4223 1 205 . 1 1 23 23 ARG HA H 1 4.24 . . 1 . . . . . . . . 4223 1 206 . 1 1 23 23 ARG CB C 13 31.04 . . 1 . . . . . . . . 4223 1 207 . 1 1 23 23 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 4223 1 208 . 1 1 23 23 ARG CG C 13 28.24 . . 1 . . . . . . . . 4223 1 209 . 1 1 23 23 ARG HG3 H 1 1.61 . . 1 . . . . . . . . 4223 1 210 . 1 1 23 23 ARG HG2 H 1 1.46 . . 1 . . . . . . . . 4223 1 211 . 1 1 23 23 ARG CD C 13 43.30 . . 1 . . . . . . . . 4223 1 212 . 1 1 23 23 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4223 1 213 . 1 1 23 23 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4223 1 214 . 1 1 23 23 ARG NE N 15 86.37 . . 1 . . . . . . . . 4223 1 215 . 1 1 23 23 ARG HE H 1 7.75 . . 1 . . . . . . . . 4223 1 216 . 1 1 24 24 LEU N N 15 122.78 . . 1 . . . . . . . . 4223 1 217 . 1 1 24 24 LEU H H 1 8.29 . . 1 . . . . . . . . 4223 1 218 . 1 1 24 24 LEU CA C 13 54.50 . . 1 . . . . . . . . 4223 1 219 . 1 1 24 24 LEU HA H 1 4.29 . . 1 . . . . . . . . 4223 1 220 . 1 1 24 24 LEU CB C 13 44.04 . . 1 . . . . . . . . 4223 1 221 . 1 1 24 24 LEU HB2 H 1 1.40 . . 1 . . . . . . . . 4223 1 222 . 1 1 24 24 LEU CD1 C 13 25.62 . . 1 . . . . . . . . 4223 1 223 . 1 1 24 24 LEU HD11 H 1 0.70 . . 1 . . . . . . . . 4223 1 224 . 1 1 24 24 LEU HD12 H 1 0.70 . . 1 . . . . . . . . 4223 1 225 . 1 1 24 24 LEU HD13 H 1 0.70 . . 1 . . . . . . . . 4223 1 226 . 1 1 24 24 LEU CD2 C 13 23.90 . . 1 . . . . . . . . 4223 1 227 . 1 1 24 24 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4223 1 228 . 1 1 24 24 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4223 1 229 . 1 1 24 24 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4223 1 230 . 1 1 24 24 LEU C C 13 177.06 . . 1 . . . . . . . . 4223 1 231 . 1 1 25 25 LEU N N 15 127.23 . . 1 . . . . . . . . 4223 1 232 . 1 1 25 25 LEU H H 1 8.30 . . 1 . . . . . . . . 4223 1 233 . 1 1 25 25 LEU CA C 13 54.79 . . 1 . . . . . . . . 4223 1 234 . 1 1 25 25 LEU HA H 1 4.28 . . 1 . . . . . . . . 4223 1 235 . 1 1 25 25 LEU CB C 13 43.66 . . 1 . . . . . . . . 4223 1 236 . 1 1 25 25 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 4223 1 237 . 1 1 25 25 LEU CG C 13 27.62 . . 1 . . . . . . . . 4223 1 238 . 1 1 25 25 LEU HG H 1 1.59 . . 1 . . . . . . . . 4223 1 239 . 1 1 25 25 LEU CD1 C 13 25.63 . . 1 . . . . . . . . 4223 1 240 . 1 1 25 25 LEU HD11 H 1 0.69 . . 1 . . . . . . . . 4223 1 241 . 1 1 25 25 LEU HD12 H 1 0.69 . . 1 . . . . . . . . 4223 1 242 . 1 1 25 25 LEU HD13 H 1 0.69 . . 1 . . . . . . . . 4223 1 243 . 1 1 25 25 LEU CD2 C 13 23.05 . . 1 . . . . . . . . 4223 1 244 . 1 1 25 25 LEU HD21 H 1 0.80 . . 1 . . . . . . . . 4223 1 245 . 1 1 25 25 LEU HD22 H 1 0.80 . . 1 . . . . . . . . 4223 1 246 . 1 1 25 25 LEU HD23 H 1 0.80 . . 1 . . . . . . . . 4223 1 247 . 1 1 25 25 LEU C C 13 177.35 . . 1 . . . . . . . . 4223 1 248 . 1 1 26 26 GLN N N 15 122.71 . . 1 . . . . . . . . 4223 1 249 . 1 1 26 26 GLN H H 1 8.63 . . 1 . . . . . . . . 4223 1 250 . 1 1 26 26 GLN CA C 13 55.66 . . 1 . . . . . . . . 4223 1 251 . 1 1 26 26 GLN HA H 1 4.35 . . 1 . . . . . . . . 4223 1 252 . 1 1 26 26 GLN CB C 13 30.14 . . 1 . . . . . . . . 4223 1 253 . 1 1 26 26 GLN HB3 H 1 1.91 . . 1 . . . . . . . . 4223 1 254 . 1 1 26 26 GLN HB2 H 1 2.05 . . 1 . . . . . . . . 4223 1 255 . 1 1 26 26 GLN CG C 13 34.15 . . 1 . . . . . . . . 4223 1 256 . 1 1 26 26 GLN HG2 H 1 2.30 . . 1 . . . . . . . . 4223 1 257 . 1 1 26 26 GLN NE2 N 15 112.40 . . 1 . . . . . . . . 4223 1 258 . 1 1 26 26 GLN HE21 H 1 7.68 . . 1 . . . . . . . . 4223 1 259 . 1 1 26 26 GLN HE22 H 1 6.87 . . 1 . . . . . . . . 4223 1 260 . 1 1 27 27 ASP N N 15 124.01 . . 1 . . . . . . . . 4223 1 261 . 1 1 27 27 ASP H H 1 8.52 . . 1 . . . . . . . . 4223 1 262 . 1 1 27 27 ASP CA C 13 54.38 . . 1 . . . . . . . . 4223 1 263 . 1 1 27 27 ASP HA H 1 4.63 . . 1 . . . . . . . . 4223 1 264 . 1 1 27 27 ASP CB C 13 41.68 . . 1 . . . . . . . . 4223 1 265 . 1 1 27 27 ASP HB2 H 1 2.71 . . 1 . . . . . . . . 4223 1 266 . 1 1 27 27 ASP HB3 H 1 2.59 . . 1 . . . . . . . . 4223 1 267 . 1 1 27 27 ASP C C 13 175.81 . . 1 . . . . . . . . 4223 1 268 . 1 1 28 28 ASP N N 15 121.46 . . 1 . . . . . . . . 4223 1 269 . 1 1 28 28 ASP H H 1 8.40 . . 1 . . . . . . . . 4223 1 270 . 1 1 28 28 ASP CA C 13 54.54 . . 1 . . . . . . . . 4223 1 271 . 1 1 28 28 ASP HA H 1 4.60 . . 1 . . . . . . . . 4223 1 272 . 1 1 28 28 ASP CB C 13 41.63 . . 1 . . . . . . . . 4223 1 273 . 1 1 28 28 ASP HB3 H 1 2.71 . . 1 . . . . . . . . 4223 1 274 . 1 1 29 29 ASP N N 15 121.25 . . 1 . . . . . . . . 4223 1 275 . 1 1 29 29 ASP H H 1 8.38 . . 1 . . . . . . . . 4223 1 276 . 1 1 29 29 ASP CA C 13 54.60 . . 1 . . . . . . . . 4223 1 277 . 1 1 29 29 ASP HA H 1 4.59 . . 1 . . . . . . . . 4223 1 278 . 1 1 29 29 ASP CB C 13 41.33 . . 1 . . . . . . . . 4223 1 279 . 1 1 29 29 ASP HB3 H 1 2.71 . . 1 . . . . . . . . 4223 1 280 . 1 1 29 29 ASP C C 13 177.08 . . 1 . . . . . . . . 4223 1 281 . 1 1 30 30 GLY N N 15 109.53 . . 1 . . . . . . . . 4223 1 282 . 1 1 30 30 GLY H H 1 8.44 . . 1 . . . . . . . . 4223 1 283 . 1 1 30 30 GLY CA C 13 45.84 . . 1 . . . . . . . . 4223 1 284 . 1 1 30 30 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4223 1 285 . 1 1 30 30 GLY C C 13 174.81 . . 1 . . . . . . . . 4223 1 286 . 1 1 31 31 GLU N N 15 120.74 . . 1 . . . . . . . . 4223 1 287 . 1 1 31 31 GLU H H 1 8.37 . . 1 . . . . . . . . 4223 1 288 . 1 1 31 31 GLU CA C 13 56.83 . . 1 . . . . . . . . 4223 1 289 . 1 1 31 31 GLU HA H 1 4.27 . . 1 . . . . . . . . 4223 1 290 . 1 1 31 31 GLU CB C 13 30.11 . . 1 . . . . . . . . 4223 1 291 . 1 1 31 31 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4223 1 292 . 1 1 31 31 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 4223 1 293 . 1 1 31 31 GLU CG C 13 36.31 . . 1 . . . . . . . . 4223 1 294 . 1 1 31 31 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 4223 1 295 . 1 1 31 31 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 4223 1 296 . 1 1 31 31 GLU C C 13 177.40 . . 1 . . . . . . . . 4223 1 297 . 1 1 32 32 GLY N N 15 110.00 . . 1 . . . . . . . . 4223 1 298 . 1 1 32 32 GLY H H 1 8.49 . . 1 . . . . . . . . 4223 1 299 . 1 1 32 32 GLY CA C 13 45.87 . . 1 . . . . . . . . 4223 1 300 . 1 1 32 32 GLY HA2 H 1 3.97 . . 1 . . . . . . . . 4223 1 301 . 1 1 32 32 GLY C C 13 174.90 . . 1 . . . . . . . . 4223 1 302 . 1 1 33 33 ARG N N 15 120.63 . . 1 . . . . . . . . 4223 1 303 . 1 1 33 33 ARG H H 1 8.25 . . 1 . . . . . . . . 4223 1 304 . 1 1 33 33 ARG CA C 13 56.40 . . 1 . . . . . . . . 4223 1 305 . 1 1 33 33 ARG HA H 1 4.36 . . 1 . . . . . . . . 4223 1 306 . 1 1 33 33 ARG CB C 13 30.54 . . 1 . . . . . . . . 4223 1 307 . 1 1 33 33 ARG HB2 H 1 1.93 . . 1 . . . . . . . . 4223 1 308 . 1 1 33 33 ARG HB3 H 1 1.76 . . 1 . . . . . . . . 4223 1 309 . 1 1 33 33 ARG CG C 13 27.31 . . 1 . . . . . . . . 4223 1 310 . 1 1 33 33 ARG HG3 H 1 1.60 . . 1 . . . . . . . . 4223 1 311 . 1 1 33 33 ARG CD C 13 43.15 . . 1 . . . . . . . . 4223 1 312 . 1 1 33 33 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4223 1 313 . 1 1 33 33 ARG C C 13 177.15 . . 1 . . . . . . . . 4223 1 314 . 1 1 34 34 GLY N N 15 110.18 . . 1 . . . . . . . . 4223 1 315 . 1 1 34 34 GLY H H 1 8.58 . . 1 . . . . . . . . 4223 1 316 . 1 1 34 34 GLY CA C 13 45.62 . . 1 . . . . . . . . 4223 1 317 . 1 1 34 34 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4223 1 318 . 1 1 34 34 GLY C C 13 174.94 . . 1 . . . . . . . . 4223 1 319 . 1 1 35 35 GLY N N 15 109.37 . . 1 . . . . . . . . 4223 1 320 . 1 1 35 35 GLY H H 1 8.31 . . 1 . . . . . . . . 4223 1 321 . 1 1 35 35 GLY CA C 13 45.53 . . 1 . . . . . . . . 4223 1 322 . 1 1 35 35 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 4223 1 323 . 1 1 35 35 GLY C C 13 174.60 . . 1 . . . . . . . . 4223 1 324 . 1 1 36 36 THR N N 15 112.75 . . 1 . . . . . . . . 4223 1 325 . 1 1 36 36 THR H H 1 8.11 . . 1 . . . . . . . . 4223 1 326 . 1 1 36 36 THR CA C 13 61.76 . . 1 . . . . . . . . 4223 1 327 . 1 1 36 36 THR HA H 1 4.35 . . 1 . . . . . . . . 4223 1 328 . 1 1 36 36 THR CB C 13 70.02 . . 1 . . . . . . . . 4223 1 329 . 1 1 36 36 THR HB H 1 4.18 . . 1 . . . . . . . . 4223 1 330 . 1 1 36 36 THR CG2 C 13 21.54 . . 1 . . . . . . . . 4223 1 331 . 1 1 36 36 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4223 1 332 . 1 1 36 36 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4223 1 333 . 1 1 36 36 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4223 1 334 . 1 1 36 36 THR C C 13 175.04 . . 1 . . . . . . . . 4223 1 335 . 1 1 37 37 GLY N N 15 111.20 . . 1 . . . . . . . . 4223 1 336 . 1 1 37 37 GLY H H 1 8.33 . . 1 . . . . . . . . 4223 1 337 . 1 1 37 37 GLY CA C 13 44.99 . . 1 . . . . . . . . 4223 1 338 . 1 1 37 37 GLY HA2 H 1 3.78 . . 1 . . . . . . . . 4223 1 339 . 1 1 37 37 GLY C C 13 173.99 . . 1 . . . . . . . . 4223 1 340 . 1 1 38 38 PHE N N 15 119.80 . . 1 . . . . . . . . 4223 1 341 . 1 1 38 38 PHE H H 1 8.35 . . 1 . . . . . . . . 4223 1 342 . 1 1 38 38 PHE CA C 13 56.20 . . 1 . . . . . . . . 4223 1 343 . 1 1 38 38 PHE HA H 1 4.64 . . 1 . . . . . . . . 4223 1 344 . 1 1 38 38 PHE CB C 13 42.53 . . 1 . . . . . . . . 4223 1 345 . 1 1 38 38 PHE HB3 H 1 3.09 . . 1 . . . . . . . . 4223 1 346 . 1 1 38 38 PHE HB2 H 1 2.71 . . 1 . . . . . . . . 4223 1 347 . 1 1 38 38 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 4223 1 348 . 1 1 38 38 PHE HE1 H 1 7.35 . . 1 . . . . . . . . 4223 1 349 . 1 1 38 38 PHE HZ H 1 7.40 . . 1 . . . . . . . . 4223 1 350 . 1 1 38 38 PHE HE2 H 1 7.35 . . 1 . . . . . . . . 4223 1 351 . 1 1 38 38 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 4223 1 352 . 1 1 38 38 PHE C C 13 175.85 . . 1 . . . . . . . . 4223 1 353 . 1 1 39 39 ASP N N 15 122.60 . . 1 . . . . . . . . 4223 1 354 . 1 1 39 39 ASP H H 1 8.63 . . 1 . . . . . . . . 4223 1 355 . 1 1 39 39 ASP CA C 13 53.73 . . 1 . . . . . . . . 4223 1 356 . 1 1 39 39 ASP HA H 1 4.35 . . 1 . . . . . . . . 4223 1 357 . 1 1 39 39 ASP CB C 13 42.24 . . 1 . . . . . . . . 4223 1 358 . 1 1 39 39 ASP HB2 H 1 2.43 . . 1 . . . . . . . . 4223 1 359 . 1 1 39 39 ASP HB3 H 1 2.20 . . 1 . . . . . . . . 4223 1 360 . 1 1 39 39 ASP C C 13 177.03 . . 1 . . . . . . . . 4223 1 361 . 1 1 40 40 ALA N N 15 127.05 . . 1 . . . . . . . . 4223 1 362 . 1 1 40 40 ALA H H 1 8.61 . . 1 . . . . . . . . 4223 1 363 . 1 1 40 40 ALA CA C 13 55.82 . . 1 . . . . . . . . 4223 1 364 . 1 1 40 40 ALA HA H 1 3.83 . . 1 . . . . . . . . 4223 1 365 . 1 1 40 40 ALA CB C 13 18.73 . . 1 . . . . . . . . 4223 1 366 . 1 1 40 40 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4223 1 367 . 1 1 40 40 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4223 1 368 . 1 1 40 40 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4223 1 369 . 1 1 40 40 ALA C C 13 178.52 . . 1 . . . . . . . . 4223 1 370 . 1 1 41 41 GLU N N 15 115.51 . . 1 . . . . . . . . 4223 1 371 . 1 1 41 41 GLU H H 1 8.72 . . 1 . . . . . . . . 4223 1 372 . 1 1 41 41 GLU CA C 13 59.37 . . 1 . . . . . . . . 4223 1 373 . 1 1 41 41 GLU HA H 1 3.82 . . 1 . . . . . . . . 4223 1 374 . 1 1 41 41 GLU CB C 13 29.47 . . 1 . . . . . . . . 4223 1 375 . 1 1 41 41 GLU HB3 H 1 1.69 . . 1 . . . . . . . . 4223 1 376 . 1 1 41 41 GLU HB2 H 1 1.57 . . 1 . . . . . . . . 4223 1 377 . 1 1 41 41 GLU CG C 13 37.09 . . 1 . . . . . . . . 4223 1 378 . 1 1 41 41 GLU HG2 H 1 1.97 . . 1 . . . . . . . . 4223 1 379 . 1 1 41 41 GLU HG3 H 1 2.10 . . 1 . . . . . . . . 4223 1 380 . 1 1 41 41 GLU C C 13 178.27 . . 1 . . . . . . . . 4223 1 381 . 1 1 42 42 LEU N N 15 117.32 . . 1 . . . . . . . . 4223 1 382 . 1 1 42 42 LEU H H 1 7.08 . . 1 . . . . . . . . 4223 1 383 . 1 1 42 42 LEU CA C 13 57.84 . . 1 . . . . . . . . 4223 1 384 . 1 1 42 42 LEU HA H 1 4.18 . . 1 . . . . . . . . 4223 1 385 . 1 1 42 42 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 4223 1 386 . 1 1 42 42 LEU HB3 H 1 1.32 . . 1 . . . . . . . . 4223 1 387 . 1 1 42 42 LEU CG C 13 27.78 . . 1 . . . . . . . . 4223 1 388 . 1 1 42 42 LEU HG H 1 1.06 . . 1 . . . . . . . . 4223 1 389 . 1 1 42 42 LEU CD1 C 13 24.40 . . 1 . . . . . . . . 4223 1 390 . 1 1 42 42 LEU HD11 H 1 0.40 . . 1 . . . . . . . . 4223 1 391 . 1 1 42 42 LEU HD12 H 1 0.40 . . 1 . . . . . . . . 4223 1 392 . 1 1 42 42 LEU HD13 H 1 0.40 . . 1 . . . . . . . . 4223 1 393 . 1 1 42 42 LEU CD2 C 13 24.56 . . 1 . . . . . . . . 4223 1 394 . 1 1 42 42 LEU HD21 H 1 0.11 . . 1 . . . . . . . . 4223 1 395 . 1 1 42 42 LEU HD22 H 1 0.11 . . 1 . . . . . . . . 4223 1 396 . 1 1 42 42 LEU HD23 H 1 0.11 . . 1 . . . . . . . . 4223 1 397 . 1 1 42 42 LEU C C 13 177.84 . . 1 . . . . . . . . 4223 1 398 . 1 1 43 43 ARG N N 15 115.87 . . 1 . . . . . . . . 4223 1 399 . 1 1 43 43 ARG H H 1 7.71 . . 1 . . . . . . . . 4223 1 400 . 1 1 43 43 ARG CA C 13 60.52 . . 1 . . . . . . . . 4223 1 401 . 1 1 43 43 ARG HA H 1 3.60 . . 1 . . . . . . . . 4223 1 402 . 1 1 43 43 ARG CB C 13 30.99 . . 1 . . . . . . . . 4223 1 403 . 1 1 43 43 ARG HB2 H 1 1.77 . . 1 . . . . . . . . 4223 1 404 . 1 1 43 43 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 4223 1 405 . 1 1 43 43 ARG CG C 13 28.55 . . 1 . . . . . . . . 4223 1 406 . 1 1 43 43 ARG HG3 H 1 1.60 . . 1 . . . . . . . . 4223 1 407 . 1 1 43 43 ARG HG2 H 1 1.45 . . 1 . . . . . . . . 4223 1 408 . 1 1 43 43 ARG CD C 13 43.31 . . 1 . . . . . . . . 4223 1 409 . 1 1 43 43 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4223 1 410 . 1 1 43 43 ARG C C 13 178.47 . . 1 . . . . . . . . 4223 1 411 . 1 1 44 44 GLU N N 15 114.65 . . 1 . . . . . . . . 4223 1 412 . 1 1 44 44 GLU H H 1 8.50 . . 1 . . . . . . . . 4223 1 413 . 1 1 44 44 GLU CA C 13 57.58 . . 1 . . . . . . . . 4223 1 414 . 1 1 44 44 GLU HA H 1 4.19 . . 1 . . . . . . . . 4223 1 415 . 1 1 44 44 GLU CB C 13 30.00 . . 1 . . . . . . . . 4223 1 416 . 1 1 44 44 GLU HB3 H 1 2.12 . . 1 . . . . . . . . 4223 1 417 . 1 1 44 44 GLU HB2 H 1 1.86 . . 1 . . . . . . . . 4223 1 418 . 1 1 44 44 GLU CG C 13 36.63 . . 1 . . . . . . . . 4223 1 419 . 1 1 44 44 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 4223 1 420 . 1 1 44 44 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4223 1 421 . 1 1 44 44 GLU C C 13 177.38 . . 1 . . . . . . . . 4223 1 422 . 1 1 45 45 ASN N N 15 114.87 . . 1 . . . . . . . . 4223 1 423 . 1 1 45 45 ASN H H 1 7.46 . . 1 . . . . . . . . 4223 1 424 . 1 1 45 45 ASN CA C 13 53.82 . . 1 . . . . . . . . 4223 1 425 . 1 1 45 45 ASN HA H 1 5.32 . . 1 . . . . . . . . 4223 1 426 . 1 1 45 45 ASN CB C 13 40.94 . . 1 . . . . . . . . 4223 1 427 . 1 1 45 45 ASN HB2 H 1 3.29 . . 1 . . . . . . . . 4223 1 428 . 1 1 45 45 ASN HB3 H 1 2.69 . . 1 . . . . . . . . 4223 1 429 . 1 1 45 45 ASN ND2 N 15 118.53 . . 1 . . . . . . . . 4223 1 430 . 1 1 45 45 ASN HD21 H 1 7.45 . . 1 . . . . . . . . 4223 1 431 . 1 1 45 45 ASN HD22 H 1 8.39 . . 1 . . . . . . . . 4223 1 432 . 1 1 45 45 ASN C C 13 175.60 . . 1 . . . . . . . . 4223 1 433 . 1 1 46 46 ILE N N 15 120.68 . . 1 . . . . . . . . 4223 1 434 . 1 1 46 46 ILE H H 1 7.26 . . 1 . . . . . . . . 4223 1 435 . 1 1 46 46 ILE CA C 13 63.86 . . 1 . . . . . . . . 4223 1 436 . 1 1 46 46 ILE HA H 1 3.72 . . 1 . . . . . . . . 4223 1 437 . 1 1 46 46 ILE CB C 13 38.05 . . 1 . . . . . . . . 4223 1 438 . 1 1 46 46 ILE HB H 1 1.88 . . 1 . . . . . . . . 4223 1 439 . 1 1 46 46 ILE CG1 C 13 28.24 . . 1 . . . . . . . . 4223 1 440 . 1 1 46 46 ILE HG12 H 1 1.13 . . 1 . . . . . . . . 4223 1 441 . 1 1 46 46 ILE HG13 H 1 1.45 . . 1 . . . . . . . . 4223 1 442 . 1 1 46 46 ILE CD1 C 13 13.63 . . 1 . . . . . . . . 4223 1 443 . 1 1 46 46 ILE HD11 H 1 0.50 . . 1 . . . . . . . . 4223 1 444 . 1 1 46 46 ILE HD12 H 1 0.50 . . 1 . . . . . . . . 4223 1 445 . 1 1 46 46 ILE HD13 H 1 0.50 . . 1 . . . . . . . . 4223 1 446 . 1 1 46 46 ILE CG2 C 13 17.91 . . 1 . . . . . . . . 4223 1 447 . 1 1 46 46 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4223 1 448 . 1 1 46 46 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4223 1 449 . 1 1 46 46 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4223 1 450 . 1 1 46 46 ILE C C 13 177.40 . . 1 . . . . . . . . 4223 1 451 . 1 1 47 47 GLY N N 15 108.75 . . 1 . . . . . . . . 4223 1 452 . 1 1 47 47 GLY H H 1 8.81 . . 1 . . . . . . . . 4223 1 453 . 1 1 47 47 GLY CA C 13 46.77 . . 1 . . . . . . . . 4223 1 454 . 1 1 47 47 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 4223 1 455 . 1 1 47 47 GLY HA3 H 1 4.05 . . 1 . . . . . . . . 4223 1 456 . 1 1 47 47 GLY C C 13 175.99 . . 1 . . . . . . . . 4223 1 457 . 1 1 48 48 SER N N 15 115.83 . . 1 . . . . . . . . 4223 1 458 . 1 1 48 48 SER H H 1 7.85 . . 1 . . . . . . . . 4223 1 459 . 1 1 48 48 SER CA C 13 59.89 . . 1 . . . . . . . . 4223 1 460 . 1 1 48 48 SER HA H 1 4.51 . . 1 . . . . . . . . 4223 1 461 . 1 1 48 48 SER CB C 13 64.24 . . 1 . . . . . . . . 4223 1 462 . 1 1 48 48 SER HB2 H 1 4.18 . . 1 . . . . . . . . 4223 1 463 . 1 1 49 49 LEU N N 15 120.22 . . 1 . . . . . . . . 4223 1 464 . 1 1 49 49 LEU H H 1 7.69 . . 1 . . . . . . . . 4223 1 465 . 1 1 49 49 LEU CA C 13 56.35 . . 1 . . . . . . . . 4223 1 466 . 1 1 49 49 LEU HA H 1 3.76 . . 1 . . . . . . . . 4223 1 467 . 1 1 49 49 LEU CB C 13 40.98 . . 1 . . . . . . . . 4223 1 468 . 1 1 49 49 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 4223 1 469 . 1 1 49 49 LEU CG C 13 27.00 . . 1 . . . . . . . . 4223 1 470 . 1 1 49 49 LEU HG H 1 1.38 . . 1 . . . . . . . . 4223 1 471 . 1 1 49 49 LEU CD1 C 13 25.75 . . 1 . . . . . . . . 4223 1 472 . 1 1 49 49 LEU HD11 H 1 0.56 . . 1 . . . . . . . . 4223 1 473 . 1 1 49 49 LEU HD12 H 1 0.56 . . 1 . . . . . . . . 4223 1 474 . 1 1 49 49 LEU HD13 H 1 0.56 . . 1 . . . . . . . . 4223 1 475 . 1 1 49 49 LEU CD2 C 13 22.01 . . 1 . . . . . . . . 4223 1 476 . 1 1 49 49 LEU HD21 H 1 -0.07 . . 1 . . . . . . . . 4223 1 477 . 1 1 49 49 LEU HD22 H 1 -0.07 . . 1 . . . . . . . . 4223 1 478 . 1 1 49 49 LEU HD23 H 1 -0.07 . . 1 . . . . . . . . 4223 1 479 . 1 1 49 49 LEU C C 13 179.33 . . 1 . . . . . . . . 4223 1 480 . 1 1 50 50 SER N N 15 115.98 . . 1 . . . . . . . . 4223 1 481 . 1 1 50 50 SER H H 1 8.57 . . 1 . . . . . . . . 4223 1 482 . 1 1 50 50 SER CA C 13 62.56 . . 1 . . . . . . . . 4223 1 483 . 1 1 50 50 SER HA H 1 4.04 . . 1 . . . . . . . . 4223 1 484 . 1 1 50 50 SER CB C 13 62.56 . . 1 . . . . . . . . 4223 1 485 . 1 1 50 50 SER HB3 H 1 4.00 . . 1 . . . . . . . . 4223 1 486 . 1 1 50 50 SER C C 13 176.82 . . 1 . . . . . . . . 4223 1 487 . 1 1 51 51 LYS N N 15 119.85 . . 1 . . . . . . . . 4223 1 488 . 1 1 51 51 LYS H H 1 7.57 . . 1 . . . . . . . . 4223 1 489 . 1 1 51 51 LYS CA C 13 57.38 . . 1 . . . . . . . . 4223 1 490 . 1 1 51 51 LYS HA H 1 4.32 . . 1 . . . . . . . . 4223 1 491 . 1 1 51 51 LYS CB C 13 32.34 . . 1 . . . . . . . . 4223 1 492 . 1 1 51 51 LYS HB3 H 1 2.01 . . 1 . . . . . . . . 4223 1 493 . 1 1 51 51 LYS HB2 H 1 1.96 . . 1 . . . . . . . . 4223 1 494 . 1 1 51 51 LYS CG C 13 25.45 . . 1 . . . . . . . . 4223 1 495 . 1 1 51 51 LYS HG2 H 1 1.52 . . 1 . . . . . . . . 4223 1 496 . 1 1 51 51 LYS CD C 13 29.49 . . 1 . . . . . . . . 4223 1 497 . 1 1 51 51 LYS HD2 H 1 1.74 . . 1 . . . . . . . . 4223 1 498 . 1 1 51 51 LYS CE C 13 42.37 . . 1 . . . . . . . . 4223 1 499 . 1 1 51 51 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4223 1 500 . 1 1 51 51 LYS C C 13 177.47 . . 1 . . . . . . . . 4223 1 501 . 1 1 52 52 LEU N N 15 119.03 . . 1 . . . . . . . . 4223 1 502 . 1 1 52 52 LEU H H 1 7.35 . . 1 . . . . . . . . 4223 1 503 . 1 1 52 52 LEU CA C 13 54.67 . . 1 . . . . . . . . 4223 1 504 . 1 1 52 52 LEU HA H 1 4.43 . . 1 . . . . . . . . 4223 1 505 . 1 1 52 52 LEU CB C 13 42.11 . . 1 . . . . . . . . 4223 1 506 . 1 1 52 52 LEU HB2 H 1 1.56 . . 1 . . . . . . . . 4223 1 507 . 1 1 52 52 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 4223 1 508 . 1 1 52 52 LEU HG H 1 1.61 . . 1 . . . . . . . . 4223 1 509 . 1 1 52 52 LEU CD1 C 13 26.28 . . 1 . . . . . . . . 4223 1 510 . 1 1 52 52 LEU HD11 H 1 0.72 . . 1 . . . . . . . . 4223 1 511 . 1 1 52 52 LEU HD12 H 1 0.72 . . 1 . . . . . . . . 4223 1 512 . 1 1 52 52 LEU HD13 H 1 0.72 . . 1 . . . . . . . . 4223 1 513 . 1 1 52 52 LEU CD2 C 13 25.14 . . 1 . . . . . . . . 4223 1 514 . 1 1 52 52 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4223 1 515 . 1 1 52 52 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4223 1 516 . 1 1 52 52 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4223 1 517 . 1 1 52 52 LEU C C 13 176.87 . . 1 . . . . . . . . 4223 1 518 . 1 1 53 53 GLY N N 15 105.87 . . 1 . . . . . . . . 4223 1 519 . 1 1 53 53 GLY H H 1 7.84 . . 1 . . . . . . . . 4223 1 520 . 1 1 53 53 GLY CA C 13 45.85 . . 1 . . . . . . . . 4223 1 521 . 1 1 53 53 GLY HA2 H 1 4.31 . . 1 . . . . . . . . 4223 1 522 . 1 1 53 53 GLY HA3 H 1 3.97 . . 1 . . . . . . . . 4223 1 523 . 1 1 53 53 GLY C C 13 175.99 . . 1 . . . . . . . . 4223 1 524 . 1 1 54 54 LEU N N 15 120.87 . . 1 . . . . . . . . 4223 1 525 . 1 1 54 54 LEU H H 1 7.98 . . 1 . . . . . . . . 4223 1 526 . 1 1 54 54 LEU CA C 13 56.30 . . 1 . . . . . . . . 4223 1 527 . 1 1 54 54 LEU HA H 1 4.38 . . 1 . . . . . . . . 4223 1 528 . 1 1 54 54 LEU CB C 13 40.45 . . 1 . . . . . . . . 4223 1 529 . 1 1 54 54 LEU HB2 H 1 1.39 . . 1 . . . . . . . . 4223 1 530 . 1 1 54 54 LEU HB3 H 1 1.69 . . 1 . . . . . . . . 4223 1 531 . 1 1 54 54 LEU CG C 13 29.18 . . 1 . . . . . . . . 4223 1 532 . 1 1 54 54 LEU HG H 1 1.68 . . 1 . . . . . . . . 4223 1 533 . 1 1 54 54 LEU CD1 C 13 25.08 . . 1 . . . . . . . . 4223 1 534 . 1 1 54 54 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4223 1 535 . 1 1 54 54 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4223 1 536 . 1 1 54 54 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4223 1 537 . 1 1 54 54 LEU CD2 C 13 24.21 . . 1 . . . . . . . . 4223 1 538 . 1 1 54 54 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 4223 1 539 . 1 1 54 54 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 4223 1 540 . 1 1 54 54 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 4223 1 541 . 1 1 54 54 LEU C C 13 177.04 . . 1 . . . . . . . . 4223 1 542 . 1 1 55 55 ASP N N 15 120.01 . . 1 . . . . . . . . 4223 1 543 . 1 1 55 55 ASP H H 1 8.90 . . 1 . . . . . . . . 4223 1 544 . 1 1 55 55 ASP CA C 13 56.63 . . 1 . . . . . . . . 4223 1 545 . 1 1 55 55 ASP HA H 1 4.20 . . 1 . . . . . . . . 4223 1 546 . 1 1 55 55 ASP CB C 13 38.80 . . 1 . . . . . . . . 4223 1 547 . 1 1 55 55 ASP HB2 H 1 2.76 . . 1 . . . . . . . . 4223 1 548 . 1 1 55 55 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 4223 1 549 . 1 1 55 55 ASP C C 13 178.56 . . 1 . . . . . . . . 4223 1 550 . 1 1 56 56 SER N N 15 116.41 . . 1 . . . . . . . . 4223 1 551 . 1 1 56 56 SER H H 1 7.96 . . 1 . . . . . . . . 4223 1 552 . 1 1 56 56 SER CA C 13 60.97 . . 1 . . . . . . . . 4223 1 553 . 1 1 56 56 SER HA H 1 4.07 . . 1 . . . . . . . . 4223 1 554 . 1 1 56 56 SER CB C 13 62.63 . . 1 . . . . . . . . 4223 1 555 . 1 1 56 56 SER HB2 H 1 4.37 . . 1 . . . . . . . . 4223 1 556 . 1 1 56 56 SER C C 13 176.34 . . 1 . . . . . . . . 4223 1 557 . 1 1 57 57 MET N N 15 121.49 . . 1 . . . . . . . . 4223 1 558 . 1 1 57 57 MET H H 1 7.43 . . 1 . . . . . . . . 4223 1 559 . 1 1 57 57 MET CA C 13 58.58 . . 1 . . . . . . . . 4223 1 560 . 1 1 57 57 MET HA H 1 4.15 . . 1 . . . . . . . . 4223 1 561 . 1 1 57 57 MET CB C 13 32.96 . . 1 . . . . . . . . 4223 1 562 . 1 1 57 57 MET HB2 H 1 2.00 . . 1 . . . . . . . . 4223 1 563 . 1 1 57 57 MET HB3 H 1 1.99 . . 1 . . . . . . . . 4223 1 564 . 1 1 57 57 MET CG C 13 32.44 . . 1 . . . . . . . . 4223 1 565 . 1 1 57 57 MET HG2 H 1 2.65 . . 1 . . . . . . . . 4223 1 566 . 1 1 57 57 MET HG3 H 1 2.37 . . 1 . . . . . . . . 4223 1 567 . 1 1 57 57 MET CE C 13 17.22 . . 1 . . . . . . . . 4223 1 568 . 1 1 57 57 MET HE1 H 1 2.08 . . 1 . . . . . . . . 4223 1 569 . 1 1 57 57 MET HE2 H 1 2.08 . . 1 . . . . . . . . 4223 1 570 . 1 1 57 57 MET HE3 H 1 2.08 . . 1 . . . . . . . . 4223 1 571 . 1 1 57 57 MET C C 13 177.99 . . 1 . . . . . . . . 4223 1 572 . 1 1 58 58 LEU N N 15 119.74 . . 1 . . . . . . . . 4223 1 573 . 1 1 58 58 LEU H H 1 7.66 . . 1 . . . . . . . . 4223 1 574 . 1 1 58 58 LEU CA C 13 57.06 . . 1 . . . . . . . . 4223 1 575 . 1 1 58 58 LEU HA H 1 4.01 . . 1 . . . . . . . . 4223 1 576 . 1 1 58 58 LEU CB C 13 41.74 . . 1 . . . . . . . . 4223 1 577 . 1 1 58 58 LEU HB2 H 1 1.86 . . 1 . . . . . . . . 4223 1 578 . 1 1 58 58 LEU HB3 H 1 1.50 . . 1 . . . . . . . . 4223 1 579 . 1 1 58 58 LEU CG C 13 27.16 . . 1 . . . . . . . . 4223 1 580 . 1 1 58 58 LEU HG H 1 1.56 . . 1 . . . . . . . . 4223 1 581 . 1 1 58 58 LEU CD1 C 13 25.14 . . 1 . . . . . . . . 4223 1 582 . 1 1 58 58 LEU HD11 H 1 0.80 . . 1 . . . . . . . . 4223 1 583 . 1 1 58 58 LEU HD12 H 1 0.80 . . 1 . . . . . . . . 4223 1 584 . 1 1 58 58 LEU HD13 H 1 0.80 . . 1 . . . . . . . . 4223 1 585 . 1 1 58 58 LEU CD2 C 13 24.36 . . 1 . . . . . . . . 4223 1 586 . 1 1 58 58 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 4223 1 587 . 1 1 58 58 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 4223 1 588 . 1 1 58 58 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 4223 1 589 . 1 1 58 58 LEU C C 13 178.34 . . 1 . . . . . . . . 4223 1 590 . 1 1 59 59 LEU N N 15 118.63 . . 1 . . . . . . . . 4223 1 591 . 1 1 59 59 LEU H H 1 7.83 . . 1 . . . . . . . . 4223 1 592 . 1 1 59 59 LEU CA C 13 57.25 . . 1 . . . . . . . . 4223 1 593 . 1 1 59 59 LEU HA H 1 4.10 . . 1 . . . . . . . . 4223 1 594 . 1 1 59 59 LEU CB C 13 41.59 . . 1 . . . . . . . . 4223 1 595 . 1 1 59 59 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 4223 1 596 . 1 1 59 59 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 4223 1 597 . 1 1 59 59 LEU CG C 13 27.62 . . 1 . . . . . . . . 4223 1 598 . 1 1 59 59 LEU HG H 1 1.72 . . 1 . . . . . . . . 4223 1 599 . 1 1 59 59 LEU CD1 C 13 24.92 . . 1 . . . . . . . . 4223 1 600 . 1 1 59 59 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4223 1 601 . 1 1 59 59 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4223 1 602 . 1 1 59 59 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4223 1 603 . 1 1 59 59 LEU CD2 C 13 23.43 . . 1 . . . . . . . . 4223 1 604 . 1 1 59 59 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4223 1 605 . 1 1 59 59 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4223 1 606 . 1 1 59 59 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4223 1 607 . 1 1 59 59 LEU C C 13 178.38 . . 1 . . . . . . . . 4223 1 608 . 1 1 60 60 GLU N N 15 116.12 . . 1 . . . . . . . . 4223 1 609 . 1 1 60 60 GLU H H 1 7.33 . . 1 . . . . . . . . 4223 1 610 . 1 1 60 60 GLU CA C 13 58.20 . . 1 . . . . . . . . 4223 1 611 . 1 1 60 60 GLU HA H 1 4.02 . . 1 . . . . . . . . 4223 1 612 . 1 1 60 60 GLU CB C 13 29.99 . . 1 . . . . . . . . 4223 1 613 . 1 1 60 60 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 4223 1 614 . 1 1 60 60 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 4223 1 615 . 1 1 60 60 GLU CG C 13 36.63 . . 1 . . . . . . . . 4223 1 616 . 1 1 60 60 GLU HG2 H 1 2.41 . . 1 . . . . . . . . 4223 1 617 . 1 1 60 60 GLU HG3 H 1 2.20 . . 1 . . . . . . . . 4223 1 618 . 1 1 60 60 GLU C C 13 177.38 . . 1 . . . . . . . . 4223 1 619 . 1 1 61 61 VAL N N 15 114.87 . . 1 . . . . . . . . 4223 1 620 . 1 1 61 61 VAL H H 1 7.46 . . 1 . . . . . . . . 4223 1 621 . 1 1 61 61 VAL CA C 13 63.75 . . 1 . . . . . . . . 4223 1 622 . 1 1 61 61 VAL HA H 1 3.85 . . 1 . . . . . . . . 4223 1 623 . 1 1 61 61 VAL CB C 13 32.75 . . 1 . . . . . . . . 4223 1 624 . 1 1 61 61 VAL HB H 1 2.13 . . 1 . . . . . . . . 4223 1 625 . 1 1 61 61 VAL CG2 C 13 21.46 . . 1 . . . . . . . . 4223 1 626 . 1 1 61 61 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 4223 1 627 . 1 1 61 61 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 4223 1 628 . 1 1 61 61 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 4223 1 629 . 1 1 61 61 VAL CG1 C 13 22.47 . . 1 . . . . . . . . 4223 1 630 . 1 1 61 61 VAL HG11 H 1 0.72 . . 1 . . . . . . . . 4223 1 631 . 1 1 61 61 VAL HG12 H 1 0.72 . . 1 . . . . . . . . 4223 1 632 . 1 1 61 61 VAL HG13 H 1 0.72 . . 1 . . . . . . . . 4223 1 633 . 1 1 61 61 VAL C C 13 175.23 . . 1 . . . . . . . . 4223 1 634 . 1 1 62 62 ILE N N 15 115.47 . . 1 . . . . . . . . 4223 1 635 . 1 1 62 62 ILE H H 1 7.77 . . 1 . . . . . . . . 4223 1 636 . 1 1 62 62 ILE CA C 13 60.72 . . 1 . . . . . . . . 4223 1 637 . 1 1 62 62 ILE HA H 1 3.95 . . 1 . . . . . . . . 4223 1 638 . 1 1 62 62 ILE CB C 13 39.32 . . 1 . . . . . . . . 4223 1 639 . 1 1 62 62 ILE HB H 1 1.74 . . 1 . . . . . . . . 4223 1 640 . 1 1 62 62 ILE CG1 C 13 27.31 . . 1 . . . . . . . . 4223 1 641 . 1 1 62 62 ILE HG12 H 1 1.32 . . 1 . . . . . . . . 4223 1 642 . 1 1 62 62 ILE HG13 H 1 1.08 . . 1 . . . . . . . . 4223 1 643 . 1 1 62 62 ILE CD1 C 13 13.84 . . 1 . . . . . . . . 4223 1 644 . 1 1 62 62 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4223 1 645 . 1 1 62 62 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4223 1 646 . 1 1 62 62 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4223 1 647 . 1 1 62 62 ILE CG2 C 13 17.79 . . 1 . . . . . . . . 4223 1 648 . 1 1 62 62 ILE HG21 H 1 0.74 . . 1 . . . . . . . . 4223 1 649 . 1 1 62 62 ILE HG22 H 1 0.74 . . 1 . . . . . . . . 4223 1 650 . 1 1 62 62 ILE HG23 H 1 0.74 . . 1 . . . . . . . . 4223 1 651 . 1 1 62 62 ILE C C 13 173.75 . . 1 . . . . . . . . 4223 1 652 . 1 1 63 63 ASP N N 15 122.16 . . 1 . . . . . . . . 4223 1 653 . 1 1 63 63 ASP H H 1 7.49 . . 1 . . . . . . . . 4223 1 654 . 1 1 63 63 ASP CA C 13 53.54 . . 1 . . . . . . . . 4223 1 655 . 1 1 63 63 ASP HA H 1 4.50 . . 1 . . . . . . . . 4223 1 656 . 1 1 63 63 ASP CB C 13 40.99 . . 1 . . . . . . . . 4223 1 657 . 1 1 63 63 ASP HB2 H 1 2.63 . . 1 . . . . . . . . 4223 1 658 . 1 1 63 63 ASP HB3 H 1 2.35 . . 1 . . . . . . . . 4223 1 659 . 1 1 63 63 ASP C C 13 176.08 . . 1 . . . . . . . . 4223 1 660 . 1 1 64 64 LEU N N 15 123.44 . . 1 . . . . . . . . 4223 1 661 . 1 1 64 64 LEU H H 1 8.11 . . 1 . . . . . . . . 4223 1 662 . 1 1 64 64 LEU CA C 13 55.44 . . 1 . . . . . . . . 4223 1 663 . 1 1 64 64 LEU HA H 1 4.16 . . 1 . . . . . . . . 4223 1 664 . 1 1 64 64 LEU CB C 13 42.28 . . 1 . . . . . . . . 4223 1 665 . 1 1 64 64 LEU HB2 H 1 1.58 . . 1 . . . . . . . . 4223 1 666 . 1 1 64 64 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 4223 1 667 . 1 1 64 64 LEU CG C 13 27.16 . . 1 . . . . . . . . 4223 1 668 . 1 1 64 64 LEU HG H 1 1.55 . . 1 . . . . . . . . 4223 1 669 . 1 1 64 64 LEU CD1 C 13 23.78 . . 1 . . . . . . . . 4223 1 670 . 1 1 64 64 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4223 1 671 . 1 1 64 64 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4223 1 672 . 1 1 64 64 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4223 1 673 . 1 1 64 64 LEU CD2 C 13 25.30 . . 1 . . . . . . . . 4223 1 674 . 1 1 64 64 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4223 1 675 . 1 1 64 64 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4223 1 676 . 1 1 64 64 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4223 1 677 . 1 1 64 64 LEU C C 13 177.46 . . 1 . . . . . . . . 4223 1 678 . 1 1 65 65 LYS N N 15 121.09 . . 1 . . . . . . . . 4223 1 679 . 1 1 65 65 LYS H H 1 8.21 . . 1 . . . . . . . . 4223 1 680 . 1 1 65 65 LYS CA C 13 56.89 . . 1 . . . . . . . . 4223 1 681 . 1 1 65 65 LYS HA H 1 4.23 . . 1 . . . . . . . . 4223 1 682 . 1 1 65 65 LYS CB C 13 32.72 . . 1 . . . . . . . . 4223 1 683 . 1 1 65 65 LYS HB2 H 1 1.80 . . 1 . . . . . . . . 4223 1 684 . 1 1 65 65 LYS CG C 13 24.98 . . 1 . . . . . . . . 4223 1 685 . 1 1 65 65 LYS HG2 H 1 1.40 . . 1 . . . . . . . . 4223 1 686 . 1 1 65 65 LYS CD C 13 29.18 . . 1 . . . . . . . . 4223 1 687 . 1 1 65 65 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4223 1 688 . 1 1 65 65 LYS CE C 13 41.45 . . 1 . . . . . . . . 4223 1 689 . 1 1 65 65 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4223 1 690 . 1 1 65 65 LYS C C 13 176.73 . . 1 . . . . . . . . 4223 1 691 . 1 1 66 66 GLU N N 15 121.48 . . 1 . . . . . . . . 4223 1 692 . 1 1 66 66 GLU H H 1 8.11 . . 1 . . . . . . . . 4223 1 693 . 1 1 66 66 GLU CA C 13 56.36 . . 1 . . . . . . . . 4223 1 694 . 1 1 66 66 GLU HA H 1 4.27 . . 1 . . . . . . . . 4223 1 695 . 1 1 66 66 GLU CB C 13 30.53 . . 1 . . . . . . . . 4223 1 696 . 1 1 66 66 GLU HB3 H 1 1.88 . . 1 . . . . . . . . 4223 1 697 . 1 1 66 66 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 4223 1 698 . 1 1 66 66 GLU CG C 13 36.63 . . 1 . . . . . . . . 4223 1 699 . 1 1 66 66 GLU HG2 H 1 2.20 . . 1 . . . . . . . . 4223 1 700 . 1 1 66 66 GLU C C 13 175.10 . . 1 . . . . . . . . 4223 1 701 . 1 1 67 67 ALA N N 15 130.44 . . 1 . . . . . . . . 4223 1 702 . 1 1 67 67 ALA H H 1 7.77 . . 1 . . . . . . . . 4223 1 703 . 1 1 67 67 ALA CA C 13 53.86 . . 1 . . . . . . . . 4223 1 704 . 1 1 67 67 ALA HA H 1 4.10 . . 1 . . . . . . . . 4223 1 705 . 1 1 67 67 ALA CB C 13 20.47 . . 1 . . . . . . . . 4223 1 706 . 1 1 67 67 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4223 1 707 . 1 1 67 67 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4223 1 708 . 1 1 67 67 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4223 1 stop_ save_