data_4348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4348 _Entry.Title ; 1H, 15N and 13C Chemical Shift Assignments for NtrC-C-term-3Ala ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-05-18 _Entry.Accession_date 1999-05-19 _Entry.Last_release_date 1999-10-06 _Entry.Original_release_date 1999-10-06 _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 Jeffrey Pelton . G. . 4348 2 Sydney Kustu . . . 4348 3 David Wemmer . E. . 4348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 4348 '15N chemical shifts' 77 4348 '1H chemical shifts' 430 4348 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 . . 1999-10-06 1999-05-18 original author . 4348 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4348 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Pelton, J. G., Kustu, S., and Wemmer, D. E., "Solution Structure of the DNA-binding Domain of NtrC with Three Alanine Substitutions," J. Mol. Biol., in preparation. ; _Citation.Title ; Solution Structure of the DNA-binding Domain of NtrC with Three Alanine Substitutions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume . _Citation.Journal_issue na _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Pelton . G. . 4348 1 2 Sydney Kustu . . . 4348 1 3 David Wemmer . E. . 4348 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding protein' 4348 1 FIS 4348 1 'four-helix bundle' 4348 1 helix-turn-helix 4348 1 'NMR spectroscopy' 4348 1 'protein structure' 4348 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4348 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7901122 _Citation.Full_citation ; Porter, S. C., North, A. K., Wedel, A. B., Kustu, S. (1993). Oligomerization of NtrC at the GlnA Enhancer Is Required for Transcriptional Activation. Genes Dev. 7, 2258-2273. ; _Citation.Title 'Oligomerization of NTRC at the glnA enhancer is required for transcriptional activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full 'Genes & development' _Citation.Journal_volume 7 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0890-9369 _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 2258 _Citation.Page_last 2273 _Citation.Year 1993 _Citation.Details ; To activate transcription of the glnA gene, the dimeric NTRC protein (nitrogen regulatory protein C) of enteric bacteria binds to an enhancer located approximately 100 bp upstream of the promoter. The enhancer is composed of two binding sites for NTRC that are three turns of the DNA helix apart. One role of the enhancer is to tether NTRC in high local concentration near the promoter to allow for its frequent interaction with sigma 54 holoenzyme by DNA looping. We have found that a second role of the enhancer is to ensure oligomerization of NTRC into a complex of at least two dimers that is required for transcriptional activation. Formation of this complex is greatly facilitated by a protein-protein interaction between NTRC dimers that is increased when the protein is phosphorylated. ; 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 'S C' Porter S. C. . 4348 2 2 'A K' North A. K. . 4348 2 3 'A B' Wedel A. B. . 4348 2 4 S Kustu S. . . 4348 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NtrC-C-term-3Ala _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NtrC-C-term-3Ala _Assembly.Entry_ID 4348 _Assembly.ID 1 _Assembly.Name 'Nitrogen Regulatory protein C-C-term-3Ala' _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 . _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 dimer 4348 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 'NtrC-C-term-3Ala subunit 1' 1 $NtrC . . . native . . 1 . . 4348 1 2 'NtrC-C-term-3Ala subunit 2' 1 $NtrC . . . native . . 1 . . 4348 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Nitrogen Regulatory protein C-C-term-3Ala' system 4348 1 NtrC-C-term-3Ala abbreviation 4348 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID DNA-binding 4348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NtrC _Entity.Sf_category entity _Entity.Sf_framecode NtrC _Entity.Entry_ID 4348 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nitrogen regulatory protein C' _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 ; MDLPGELFEASTPDSPSHLP PDSWATLLAQWADRALRSGH QNLLSEAQPELERTLLTTAL RHTQGHKQEAARLLGWGAAT LTAKLKELGME ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19962 _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 1NTC . "Solution Structure Of The Dna-Binding Domain Of Ntrc With Three Alanine Substitutions" . . . . . 100.00 91 100.00 100.00 1.79e-55 . . . . 4348 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Nitrogen regulatory protein C' common 4348 1 NtrC abbreviation 4348 1 NtrC-C-term-3Ala variant 4348 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4348 1 2 . ASP . 4348 1 3 . LEU . 4348 1 4 . PRO . 4348 1 5 . GLY . 4348 1 6 . GLU . 4348 1 7 . LEU . 4348 1 8 . PHE . 4348 1 9 . GLU . 4348 1 10 . ALA . 4348 1 11 . SER . 4348 1 12 . THR . 4348 1 13 . PRO . 4348 1 14 . ASP . 4348 1 15 . SER . 4348 1 16 . PRO . 4348 1 17 . SER . 4348 1 18 . HIS . 4348 1 19 . LEU . 4348 1 20 . PRO . 4348 1 21 . PRO . 4348 1 22 . ASP . 4348 1 23 . SER . 4348 1 24 . TRP . 4348 1 25 . ALA . 4348 1 26 . THR . 4348 1 27 . LEU . 4348 1 28 . LEU . 4348 1 29 . ALA . 4348 1 30 . GLN . 4348 1 31 . TRP . 4348 1 32 . ALA . 4348 1 33 . ASP . 4348 1 34 . ARG . 4348 1 35 . ALA . 4348 1 36 . LEU . 4348 1 37 . ARG . 4348 1 38 . SER . 4348 1 39 . GLY . 4348 1 40 . HIS . 4348 1 41 . GLN . 4348 1 42 . ASN . 4348 1 43 . LEU . 4348 1 44 . LEU . 4348 1 45 . SER . 4348 1 46 . GLU . 4348 1 47 . ALA . 4348 1 48 . GLN . 4348 1 49 . PRO . 4348 1 50 . GLU . 4348 1 51 . LEU . 4348 1 52 . GLU . 4348 1 53 . ARG . 4348 1 54 . THR . 4348 1 55 . LEU . 4348 1 56 . LEU . 4348 1 57 . THR . 4348 1 58 . THR . 4348 1 59 . ALA . 4348 1 60 . LEU . 4348 1 61 . ARG . 4348 1 62 . HIS . 4348 1 63 . THR . 4348 1 64 . GLN . 4348 1 65 . GLY . 4348 1 66 . HIS . 4348 1 67 . LYS . 4348 1 68 . GLN . 4348 1 69 . GLU . 4348 1 70 . ALA . 4348 1 71 . ALA . 4348 1 72 . ARG . 4348 1 73 . LEU . 4348 1 74 . LEU . 4348 1 75 . GLY . 4348 1 76 . TRP . 4348 1 77 . GLY . 4348 1 78 . ALA . 4348 1 79 . ALA . 4348 1 80 . THR . 4348 1 81 . LEU . 4348 1 82 . THR . 4348 1 83 . ALA . 4348 1 84 . LYS . 4348 1 85 . LEU . 4348 1 86 . LYS . 4348 1 87 . GLU . 4348 1 88 . LEU . 4348 1 89 . GLY . 4348 1 90 . MET . 4348 1 91 . GLU . 4348 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4348 1 . ASP 2 2 4348 1 . LEU 3 3 4348 1 . PRO 4 4 4348 1 . GLY 5 5 4348 1 . GLU 6 6 4348 1 . LEU 7 7 4348 1 . PHE 8 8 4348 1 . GLU 9 9 4348 1 . ALA 10 10 4348 1 . SER 11 11 4348 1 . THR 12 12 4348 1 . PRO 13 13 4348 1 . ASP 14 14 4348 1 . SER 15 15 4348 1 . PRO 16 16 4348 1 . SER 17 17 4348 1 . HIS 18 18 4348 1 . LEU 19 19 4348 1 . PRO 20 20 4348 1 . PRO 21 21 4348 1 . ASP 22 22 4348 1 . SER 23 23 4348 1 . TRP 24 24 4348 1 . ALA 25 25 4348 1 . THR 26 26 4348 1 . LEU 27 27 4348 1 . LEU 28 28 4348 1 . ALA 29 29 4348 1 . GLN 30 30 4348 1 . TRP 31 31 4348 1 . ALA 32 32 4348 1 . ASP 33 33 4348 1 . ARG 34 34 4348 1 . ALA 35 35 4348 1 . LEU 36 36 4348 1 . ARG 37 37 4348 1 . SER 38 38 4348 1 . GLY 39 39 4348 1 . HIS 40 40 4348 1 . GLN 41 41 4348 1 . ASN 42 42 4348 1 . LEU 43 43 4348 1 . LEU 44 44 4348 1 . SER 45 45 4348 1 . GLU 46 46 4348 1 . ALA 47 47 4348 1 . GLN 48 48 4348 1 . PRO 49 49 4348 1 . GLU 50 50 4348 1 . LEU 51 51 4348 1 . GLU 52 52 4348 1 . ARG 53 53 4348 1 . THR 54 54 4348 1 . LEU 55 55 4348 1 . LEU 56 56 4348 1 . THR 57 57 4348 1 . THR 58 58 4348 1 . ALA 59 59 4348 1 . LEU 60 60 4348 1 . ARG 61 61 4348 1 . HIS 62 62 4348 1 . THR 63 63 4348 1 . GLN 64 64 4348 1 . GLY 65 65 4348 1 . HIS 66 66 4348 1 . LYS 67 67 4348 1 . GLN 68 68 4348 1 . GLU 69 69 4348 1 . ALA 70 70 4348 1 . ALA 71 71 4348 1 . ARG 72 72 4348 1 . LEU 73 73 4348 1 . LEU 74 74 4348 1 . GLY 75 75 4348 1 . TRP 76 76 4348 1 . GLY 77 77 4348 1 . ALA 78 78 4348 1 . ALA 79 79 4348 1 . THR 80 80 4348 1 . LEU 81 81 4348 1 . THR 82 82 4348 1 . ALA 83 83 4348 1 . LYS 84 84 4348 1 . LEU 85 85 4348 1 . LYS 86 86 4348 1 . GLU 87 87 4348 1 . LEU 88 88 4348 1 . GLY 89 89 4348 1 . MET 90 90 4348 1 . GLU 91 91 4348 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 4348 _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 $NtrC . 602 . . 'Salmonella typhimurium' 'Salmonella typhimurium' . . Eubacteria . Salmonella typhimurium . . . . . . . . . . . . . . . . . . . . . 4348 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 4348 _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 $NtrC . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli pLys-S . . . . . . . . . . . . plasmid . . pJES1092 . . . ; Reference for plasmid: Porter, S. C., North, A. K., Wedel, A. B., Kustu, S.1993 Genes Dev. 7, 2258-2273 C-terminus of NtrC with 3 alanine substitutions R456A, N457A, R461A ; . . 4348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4348 _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 'Nitrogen regulatory protein C' '[U-98% 13C; U-95% 15N]' . . 1 $NtrC . . . 0.5 1.5 mM . . . . 4348 1 2 sodium_phosphate . . . . . . . 20 . . mM . . . . 4348 1 3 potassium_chloride . . . . . . . 50 . . mM . . . . 4348 1 4 EDTA . . . . . . . 0.1 . . mM . . . . 4348 1 5 sodium_azide . . . . . . . 0.02 . . 'w/v %' . . . . 4348 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 4348 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 0.2 n/a 4348 1 temperature 308 2 K 4348 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4348 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4348 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4348 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Bruker AMX . 600 . . . 4348 1 2 NMR_spectrometer2 Bruker DRX . 500 . . . 4348 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 4348 _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 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4348 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4348 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4348 1 4 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4348 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4348 1 6 HA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4348 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4348 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4348 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4348 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4348 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4348 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4348 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4348 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; proton chemical shifts were referenced indirectly to DSS using the water peak as 4.73 ppm at 37C ; 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 internal indirect 0.25144953 . . . . . . . . . 4348 1 H 1 water protons . . . . ppm 4.73 internal direct . internal . . . . . . . . 4348 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 4348 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_shift_NtrC-C-term-3Ala _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_NtrC-C-term-3Ala _Assigned_chem_shift_list.Entry_ID 4348 _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 $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 '1H-15N NOESY-HSQC' 1 $sample_1 . 4348 1 2 '1H-15N TOCSY-HSQC' 1 $sample_1 . 4348 1 3 HNCA 1 $sample_1 . 4348 1 4 HCACO 1 $sample_1 . 4348 1 5 HNCO 1 $sample_1 . 4348 1 6 HA(CO)NH 1 $sample_1 . 4348 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 5 5 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4348 1 2 . 1 1 5 5 GLY N N 15 108.8 0.2 . 1 . . . . . . . . 4348 1 3 . 1 1 5 5 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4348 1 4 . 1 1 5 5 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4348 1 5 . 1 1 5 5 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4348 1 6 . 1 1 6 6 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 4348 1 7 . 1 1 6 6 GLU N N 15 120 0.2 . 1 . . . . . . . . 4348 1 8 . 1 1 6 6 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4348 1 9 . 1 1 6 6 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 4348 1 10 . 1 1 6 6 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 4348 1 11 . 1 1 7 7 LEU H H 1 8.1 0.02 . 1 . . . . . . . . 4348 1 12 . 1 1 7 7 LEU N N 15 122 0.2 . 1 . . . . . . . . 4348 1 13 . 1 1 7 7 LEU HA H 1 4.3 0.02 . 1 . . . . . . . . 4348 1 14 . 1 1 7 7 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4348 1 15 . 1 1 7 7 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 4348 1 16 . 1 1 7 7 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 4348 1 17 . 1 1 7 7 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 18 . 1 1 7 7 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 19 . 1 1 7 7 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 20 . 1 1 7 7 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4348 1 21 . 1 1 7 7 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 4348 1 22 . 1 1 7 7 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 4348 1 23 . 1 1 7 7 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 4348 1 24 . 1 1 7 7 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4348 1 25 . 1 1 7 7 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 4348 1 26 . 1 1 8 8 PHE H H 1 8.09 0.02 . 1 . . . . . . . . 4348 1 27 . 1 1 8 8 PHE N N 15 120.4 0.2 . 1 . . . . . . . . 4348 1 28 . 1 1 8 8 PHE HA H 1 4.62 0.02 . 1 . . . . . . . . 4348 1 29 . 1 1 8 8 PHE CA C 13 57.6 0.2 . 1 . . . . . . . . 4348 1 30 . 1 1 8 8 PHE HB2 H 1 3.05 0.02 . 2 . . . . . . . . 4348 1 31 . 1 1 8 8 PHE HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4348 1 32 . 1 1 8 8 PHE CB C 13 39.7 0.2 . 1 . . . . . . . . 4348 1 33 . 1 1 8 8 PHE C C 13 175.4 0.2 . 1 . . . . . . . . 4348 1 34 . 1 1 9 9 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 4348 1 35 . 1 1 9 9 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 4348 1 36 . 1 1 9 9 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4348 1 37 . 1 1 9 9 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 4348 1 38 . 1 1 9 9 GLU C C 13 175.7 0.2 . 1 . . . . . . . . 4348 1 39 . 1 1 10 10 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 4348 1 40 . 1 1 10 10 ALA N N 15 125.1 0.2 . 1 . . . . . . . . 4348 1 41 . 1 1 10 10 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 4348 1 42 . 1 1 10 10 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 4348 1 43 . 1 1 10 10 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4348 1 44 . 1 1 10 10 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4348 1 45 . 1 1 10 10 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4348 1 46 . 1 1 10 10 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 4348 1 47 . 1 1 10 10 ALA C C 13 177.5 0.2 . 1 . . . . . . . . 4348 1 48 . 1 1 11 11 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4348 1 49 . 1 1 11 11 SER N N 15 114.8 0.2 . 1 . . . . . . . . 4348 1 50 . 1 1 11 11 SER HA H 1 4.5 0.02 . 1 . . . . . . . . 4348 1 51 . 1 1 11 11 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4348 1 52 . 1 1 11 11 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 4348 1 53 . 1 1 11 11 SER C C 13 174.3 0.2 . 1 . . . . . . . . 4348 1 54 . 1 1 12 12 THR H H 1 8.31 0.02 . 1 . . . . . . . . 4348 1 55 . 1 1 12 12 THR N N 15 117.1 0.2 . 1 . . . . . . . . 4348 1 56 . 1 1 12 12 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 4348 1 57 . 1 1 12 12 THR CA C 13 59.6 0.2 . 1 . . . . . . . . 4348 1 58 . 1 1 12 12 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 4348 1 59 . 1 1 12 12 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 4348 1 60 . 1 1 12 12 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 4348 1 61 . 1 1 12 12 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 4348 1 62 . 1 1 12 12 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 4348 1 63 . 1 1 12 12 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 4348 1 64 . 1 1 22 22 ASP H H 1 8.2 0.02 . 1 . . . . . . . . 4348 1 65 . 1 1 22 22 ASP N N 15 115.8 0.2 . 1 . . . . . . . . 4348 1 66 . 1 1 22 22 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 4348 1 67 . 1 1 22 22 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 4348 1 68 . 1 1 22 22 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4348 1 69 . 1 1 22 22 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4348 1 70 . 1 1 22 22 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 4348 1 71 . 1 1 23 23 SER H H 1 8.28 0.02 . 1 . . . . . . . . 4348 1 72 . 1 1 23 23 SER N N 15 115 0.2 . 1 . . . . . . . . 4348 1 73 . 1 1 23 23 SER HA H 1 4.67 0.02 . 1 . . . . . . . . 4348 1 74 . 1 1 23 23 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4348 1 75 . 1 1 23 23 SER C C 13 175.8 0.2 . 1 . . . . . . . . 4348 1 76 . 1 1 24 24 TRP H H 1 8.41 0.02 . 1 . . . . . . . . 4348 1 77 . 1 1 24 24 TRP N N 15 122.5 0.2 . 1 . . . . . . . . 4348 1 78 . 1 1 24 24 TRP HA H 1 4.42 0.02 . 1 . . . . . . . . 4348 1 79 . 1 1 24 24 TRP CA C 13 60 0.2 . 1 . . . . . . . . 4348 1 80 . 1 1 24 24 TRP HB2 H 1 3.86 0.02 . 2 . . . . . . . . 4348 1 81 . 1 1 24 24 TRP HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4348 1 82 . 1 1 24 24 TRP CB C 13 27.9 0.2 . 1 . . . . . . . . 4348 1 83 . 1 1 24 24 TRP HD1 H 1 7.34 0.02 . 1 . . . . . . . . 4348 1 84 . 1 1 24 24 TRP CD1 C 13 127.6 0.2 . 1 . . . . . . . . 4348 1 85 . 1 1 24 24 TRP HE3 H 1 7.38 0.02 . 1 . . . . . . . . 4348 1 86 . 1 1 24 24 TRP CE3 C 13 119.4 0.2 . 1 . . . . . . . . 4348 1 87 . 1 1 24 24 TRP HZ2 H 1 6.87 0.02 . 1 . . . . . . . . 4348 1 88 . 1 1 24 24 TRP CZ2 C 13 114.2 0.2 . 1 . . . . . . . . 4348 1 89 . 1 1 24 24 TRP HZ3 H 1 6.71 0.02 . 1 . . . . . . . . 4348 1 90 . 1 1 24 24 TRP CZ3 C 13 121.1 0.2 . 1 . . . . . . . . 4348 1 91 . 1 1 24 24 TRP HH2 H 1 7.01 0.02 . 1 . . . . . . . . 4348 1 92 . 1 1 24 24 TRP CH2 C 13 123.5 0.2 . 1 . . . . . . . . 4348 1 93 . 1 1 24 24 TRP C C 13 177.1 0.2 . 1 . . . . . . . . 4348 1 94 . 1 1 25 25 ALA H H 1 6.99 0.02 . 1 . . . . . . . . 4348 1 95 . 1 1 25 25 ALA N N 15 124.2 0.2 . 1 . . . . . . . . 4348 1 96 . 1 1 25 25 ALA HA H 1 3.49 0.02 . 1 . . . . . . . . 4348 1 97 . 1 1 25 25 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4348 1 98 . 1 1 25 25 ALA HB1 H 1 0.51 0.02 . 1 . . . . . . . . 4348 1 99 . 1 1 25 25 ALA HB2 H 1 0.51 0.02 . 1 . . . . . . . . 4348 1 100 . 1 1 25 25 ALA HB3 H 1 0.51 0.02 . 1 . . . . . . . . 4348 1 101 . 1 1 25 25 ALA CB C 13 16.6 0.2 . 1 . . . . . . . . 4348 1 102 . 1 1 25 25 ALA C C 13 179.5 0.2 . 1 . . . . . . . . 4348 1 103 . 1 1 26 26 THR H H 1 7.63 0.02 . 1 . . . . . . . . 4348 1 104 . 1 1 26 26 THR N N 15 116 0.2 . 1 . . . . . . . . 4348 1 105 . 1 1 26 26 THR HA H 1 3.97 0.02 . 1 . . . . . . . . 4348 1 106 . 1 1 26 26 THR CA C 13 66.1 0.2 . 1 . . . . . . . . 4348 1 107 . 1 1 26 26 THR HB H 1 4.3 0.02 . 1 . . . . . . . . 4348 1 108 . 1 1 26 26 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 4348 1 109 . 1 1 26 26 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4348 1 110 . 1 1 26 26 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4348 1 111 . 1 1 26 26 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4348 1 112 . 1 1 26 26 THR CG2 C 13 22 0.2 . 1 . . . . . . . . 4348 1 113 . 1 1 26 26 THR C C 13 177.1 0.2 . 1 . . . . . . . . 4348 1 114 . 1 1 27 27 LEU H H 1 7.39 0.02 . 1 . . . . . . . . 4348 1 115 . 1 1 27 27 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 4348 1 116 . 1 1 27 27 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4348 1 117 . 1 1 27 27 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 4348 1 118 . 1 1 27 27 LEU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4348 1 119 . 1 1 27 27 LEU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4348 1 120 . 1 1 27 27 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4348 1 121 . 1 1 27 27 LEU HG H 1 1.9 0.02 . 1 . . . . . . . . 4348 1 122 . 1 1 27 27 LEU CG C 13 27.9 0.2 . 1 . . . . . . . . 4348 1 123 . 1 1 27 27 LEU HD11 H 1 1 0.02 . 1 . . . . . . . . 4348 1 124 . 1 1 27 27 LEU HD12 H 1 1 0.02 . 1 . . . . . . . . 4348 1 125 . 1 1 27 27 LEU HD13 H 1 1 0.02 . 1 . . . . . . . . 4348 1 126 . 1 1 27 27 LEU CD1 C 13 25.5 0.2 . 1 . . . . . . . . 4348 1 127 . 1 1 27 27 LEU HD21 H 1 0.91 0.02 . 1 . . . . . . . . 4348 1 128 . 1 1 27 27 LEU HD22 H 1 0.91 0.02 . 1 . . . . . . . . 4348 1 129 . 1 1 27 27 LEU HD23 H 1 0.91 0.02 . 1 . . . . . . . . 4348 1 130 . 1 1 27 27 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4348 1 131 . 1 1 27 27 LEU C C 13 179.5 0.2 . 1 . . . . . . . . 4348 1 132 . 1 1 28 28 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 4348 1 133 . 1 1 28 28 LEU N N 15 124.6 0.2 . 1 . . . . . . . . 4348 1 134 . 1 1 28 28 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4348 1 135 . 1 1 28 28 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 4348 1 136 . 1 1 28 28 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4348 1 137 . 1 1 28 28 LEU HB3 H 1 1.12 0.02 . 2 . . . . . . . . 4348 1 138 . 1 1 28 28 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 4348 1 139 . 1 1 28 28 LEU HG H 1 1.14 0.02 . 1 . . . . . . . . 4348 1 140 . 1 1 28 28 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 4348 1 141 . 1 1 28 28 LEU HD11 H 1 -0.56 0.02 . 1 . . . . . . . . 4348 1 142 . 1 1 28 28 LEU HD12 H 1 -0.56 0.02 . 1 . . . . . . . . 4348 1 143 . 1 1 28 28 LEU HD13 H 1 -0.56 0.02 . 1 . . . . . . . . 4348 1 144 . 1 1 28 28 LEU CD1 C 13 20.7 0.2 . 1 . . . . . . . . 4348 1 145 . 1 1 28 28 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 4348 1 146 . 1 1 28 28 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 4348 1 147 . 1 1 28 28 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 4348 1 148 . 1 1 28 28 LEU CD2 C 13 27.5 0.2 . 1 . . . . . . . . 4348 1 149 . 1 1 28 28 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 4348 1 150 . 1 1 29 29 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 4348 1 151 . 1 1 29 29 ALA N N 15 121.8 0.2 . 1 . . . . . . . . 4348 1 152 . 1 1 29 29 ALA HA H 1 3.8 0.02 . 1 . . . . . . . . 4348 1 153 . 1 1 29 29 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 4348 1 154 . 1 1 29 29 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4348 1 155 . 1 1 29 29 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4348 1 156 . 1 1 29 29 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4348 1 157 . 1 1 29 29 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4348 1 158 . 1 1 29 29 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 4348 1 159 . 1 1 30 30 GLN H H 1 7.48 0.02 . 1 . . . . . . . . 4348 1 160 . 1 1 30 30 GLN N N 15 117 0.2 . 1 . . . . . . . . 4348 1 161 . 1 1 30 30 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 4348 1 162 . 1 1 30 30 GLN CA C 13 59.1 0.2 . 1 . . . . . . . . 4348 1 163 . 1 1 30 30 GLN HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4348 1 164 . 1 1 30 30 GLN HG3 H 1 2.75 0.02 . 2 . . . . . . . . 4348 1 165 . 1 1 30 30 GLN CG C 13 34.1 0.2 . 1 . . . . . . . . 4348 1 166 . 1 1 30 30 GLN C C 13 178.9 0.2 . 1 . . . . . . . . 4348 1 167 . 1 1 31 31 TRP H H 1 8.59 0.02 . 1 . . . . . . . . 4348 1 168 . 1 1 31 31 TRP N N 15 122.6 0.2 . 1 . . . . . . . . 4348 1 169 . 1 1 31 31 TRP HA H 1 4.04 0.02 . 1 . . . . . . . . 4348 1 170 . 1 1 31 31 TRP CA C 13 62.1 0.2 . 1 . . . . . . . . 4348 1 171 . 1 1 31 31 TRP HB2 H 1 3.62 0.02 . 2 . . . . . . . . 4348 1 172 . 1 1 31 31 TRP HB3 H 1 3.76 0.02 . 2 . . . . . . . . 4348 1 173 . 1 1 31 31 TRP CB C 13 28.1 0.2 . 1 . . . . . . . . 4348 1 174 . 1 1 31 31 TRP HD1 H 1 7.46 0.02 . 1 . . . . . . . . 4348 1 175 . 1 1 31 31 TRP CD1 C 13 127.5 0.2 . 1 . . . . . . . . 4348 1 176 . 1 1 31 31 TRP HE3 H 1 7.46 0.02 . 1 . . . . . . . . 4348 1 177 . 1 1 31 31 TRP CE3 C 13 121.1 0.2 . 1 . . . . . . . . 4348 1 178 . 1 1 31 31 TRP HZ2 H 1 7.59 0.02 . 1 . . . . . . . . 4348 1 179 . 1 1 31 31 TRP CZ2 C 13 114.3 0.2 . 1 . . . . . . . . 4348 1 180 . 1 1 31 31 TRP HZ3 H 1 6.65 0.02 . 1 . . . . . . . . 4348 1 181 . 1 1 31 31 TRP CZ3 C 13 119.8 0.2 . 1 . . . . . . . . 4348 1 182 . 1 1 31 31 TRP HH2 H 1 7.16 0.02 . 1 . . . . . . . . 4348 1 183 . 1 1 31 31 TRP CH2 C 13 123.7 0.2 . 1 . . . . . . . . 4348 1 184 . 1 1 31 31 TRP HE1 H 1 10.33 0.02 . 1 . . . . . . . . 4348 1 185 . 1 1 31 31 TRP NE1 N 15 130.5 0.2 . 1 . . . . . . . . 4348 1 186 . 1 1 31 31 TRP C C 13 178.9 0.2 . 1 . . . . . . . . 4348 1 187 . 1 1 32 32 ALA H H 1 9.02 0.02 . 1 . . . . . . . . 4348 1 188 . 1 1 32 32 ALA N N 15 122 0.2 . 1 . . . . . . . . 4348 1 189 . 1 1 32 32 ALA HA H 1 3.05 0.02 . 1 . . . . . . . . 4348 1 190 . 1 1 32 32 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 4348 1 191 . 1 1 32 32 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 4348 1 192 . 1 1 32 32 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 4348 1 193 . 1 1 32 32 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4348 1 194 . 1 1 32 32 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 4348 1 195 . 1 1 32 32 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 4348 1 196 . 1 1 33 33 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 4348 1 197 . 1 1 33 33 ASP N N 15 118.4 0.2 . 1 . . . . . . . . 4348 1 198 . 1 1 33 33 ASP HA H 1 4.1 0.02 . 1 . . . . . . . . 4348 1 199 . 1 1 33 33 ASP CA C 13 57.7 0.2 . 1 . . . . . . . . 4348 1 200 . 1 1 33 33 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4348 1 201 . 1 1 33 33 ASP CB C 13 42.5 0.2 . 1 . . . . . . . . 4348 1 202 . 1 1 33 33 ASP C C 13 177.7 0.2 . 1 . . . . . . . . 4348 1 203 . 1 1 34 34 ARG H H 1 7.52 0.02 . 1 . . . . . . . . 4348 1 204 . 1 1 34 34 ARG N N 15 117.4 0.2 . 1 . . . . . . . . 4348 1 205 . 1 1 34 34 ARG HA H 1 3.79 0.02 . 1 . . . . . . . . 4348 1 206 . 1 1 34 34 ARG CA C 13 59.5 0.2 . 1 . . . . . . . . 4348 1 207 . 1 1 34 34 ARG HD2 H 1 3.26 0.02 . 2 . . . . . . . . 4348 1 208 . 1 1 34 34 ARG CD C 13 43.6 0.2 . 1 . . . . . . . . 4348 1 209 . 1 1 34 34 ARG C C 13 179.2 0.2 . 1 . . . . . . . . 4348 1 210 . 1 1 35 35 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 4348 1 211 . 1 1 35 35 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 4348 1 212 . 1 1 35 35 ALA HA H 1 3.45 0.02 . 1 . . . . . . . . 4348 1 213 . 1 1 35 35 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 4348 1 214 . 1 1 35 35 ALA HB1 H 1 0.42 0.02 . 1 . . . . . . . . 4348 1 215 . 1 1 35 35 ALA HB2 H 1 0.42 0.02 . 1 . . . . . . . . 4348 1 216 . 1 1 35 35 ALA HB3 H 1 0.42 0.02 . 1 . . . . . . . . 4348 1 217 . 1 1 35 35 ALA CB C 13 16.6 0.2 . 1 . . . . . . . . 4348 1 218 . 1 1 35 35 ALA C C 13 180.3 0.2 . 1 . . . . . . . . 4348 1 219 . 1 1 36 36 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 4348 1 220 . 1 1 36 36 LEU N N 15 118.9 0.2 . 1 . . . . . . . . 4348 1 221 . 1 1 36 36 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 4348 1 222 . 1 1 36 36 LEU CA C 13 57.5 0.2 . 1 . . . . . . . . 4348 1 223 . 1 1 36 36 LEU HB2 H 1 0.3 0.02 . 2 . . . . . . . . 4348 1 224 . 1 1 36 36 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 4348 1 225 . 1 1 36 36 LEU CB C 13 40.4 0.2 . 2 . . . . . . . . 4348 1 226 . 1 1 36 36 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4348 1 227 . 1 1 36 36 LEU CG C 13 28.2 0.2 . 1 . . . . . . . . 4348 1 228 . 1 1 36 36 LEU HD11 H 1 0.45 0.02 . 1 . . . . . . . . 4348 1 229 . 1 1 36 36 LEU HD12 H 1 0.45 0.02 . 1 . . . . . . . . 4348 1 230 . 1 1 36 36 LEU HD13 H 1 0.45 0.02 . 1 . . . . . . . . 4348 1 231 . 1 1 36 36 LEU CD1 C 13 25.5 0.2 . 1 . . . . . . . . 4348 1 232 . 1 1 36 36 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 4348 1 233 . 1 1 36 36 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 4348 1 234 . 1 1 36 36 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 4348 1 235 . 1 1 36 36 LEU CD2 C 13 24.2 0.2 . 1 . . . . . . . . 4348 1 236 . 1 1 36 36 LEU C C 13 181.4 0.2 . 1 . . . . . . . . 4348 1 237 . 1 1 37 37 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 4348 1 238 . 1 1 37 37 ARG N N 15 119.5 0.2 . 1 . . . . . . . . 4348 1 239 . 1 1 37 37 ARG HA H 1 4.19 0.02 . 1 . . . . . . . . 4348 1 240 . 1 1 37 37 ARG CA C 13 59.1 0.2 . 1 . . . . . . . . 4348 1 241 . 1 1 37 37 ARG C C 13 177.4 0.2 . 1 . . . . . . . . 4348 1 242 . 1 1 38 38 SER H H 1 7.61 0.02 . 1 . . . . . . . . 4348 1 243 . 1 1 38 38 SER N N 15 112.3 0.2 . 1 . . . . . . . . 4348 1 244 . 1 1 38 38 SER HA H 1 4.68 0.02 . 1 . . . . . . . . 4348 1 245 . 1 1 38 38 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 4348 1 246 . 1 1 38 38 SER C C 13 174.6 0.2 . 1 . . . . . . . . 4348 1 247 . 1 1 39 39 GLY H H 1 7.64 0.02 . 1 . . . . . . . . 4348 1 248 . 1 1 39 39 GLY N N 15 107.6 0.2 . 1 . . . . . . . . 4348 1 249 . 1 1 39 39 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 4348 1 250 . 1 1 39 39 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 4348 1 251 . 1 1 39 39 GLY CA C 13 46 0.2 . 1 . . . . . . . . 4348 1 252 . 1 1 39 39 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 4348 1 253 . 1 1 40 40 HIS H H 1 8.18 0.02 . 1 . . . . . . . . 4348 1 254 . 1 1 40 40 HIS N N 15 118.8 0.2 . 1 . . . . . . . . 4348 1 255 . 1 1 40 40 HIS HA H 1 4.53 0.02 . 1 . . . . . . . . 4348 1 256 . 1 1 40 40 HIS CA C 13 56.7 0.2 . 1 . . . . . . . . 4348 1 257 . 1 1 40 40 HIS HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4348 1 258 . 1 1 40 40 HIS HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4348 1 259 . 1 1 40 40 HIS CB C 13 29.4 0.2 . 1 . . . . . . . . 4348 1 260 . 1 1 40 40 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4348 1 261 . 1 1 41 41 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 4348 1 262 . 1 1 41 41 GLN N N 15 117.2 0.2 . 1 . . . . . . . . 4348 1 263 . 1 1 41 41 GLN HA H 1 4.54 0.02 . 1 . . . . . . . . 4348 1 264 . 1 1 41 41 GLN CA C 13 54.6 0.2 . 1 . . . . . . . . 4348 1 265 . 1 1 41 41 GLN C C 13 174.5 0.2 . 1 . . . . . . . . 4348 1 266 . 1 1 42 42 ASN H H 1 8 0.02 . 1 . . . . . . . . 4348 1 267 . 1 1 42 42 ASN N N 15 116.2 0.2 . 1 . . . . . . . . 4348 1 268 . 1 1 42 42 ASN HA H 1 4.18 0.02 . 1 . . . . . . . . 4348 1 269 . 1 1 42 42 ASN CA C 13 53.5 0.2 . 1 . . . . . . . . 4348 1 270 . 1 1 42 42 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4348 1 271 . 1 1 42 42 ASN HB3 H 1 3.18 0.02 . 2 . . . . . . . . 4348 1 272 . 1 1 42 42 ASN CB C 13 37.1 0.2 . 1 . . . . . . . . 4348 1 273 . 1 1 42 42 ASN C C 13 176.9 0.2 . 1 . . . . . . . . 4348 1 274 . 1 1 43 43 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 4348 1 275 . 1 1 43 43 LEU N N 15 117.7 0.2 . 1 . . . . . . . . 4348 1 276 . 1 1 43 43 LEU HA H 1 4.1 0.02 . 1 . . . . . . . . 4348 1 277 . 1 1 43 43 LEU CA C 13 58.4 0.2 . 1 . . . . . . . . 4348 1 278 . 1 1 43 43 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 4348 1 279 . 1 1 43 43 LEU CB C 13 43.7 0.2 . 1 . . . . . . . . 4348 1 280 . 1 1 43 43 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 4348 1 281 . 1 1 43 43 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4348 1 282 . 1 1 43 43 LEU HD11 H 1 0.7 0.02 . 1 . . . . . . . . 4348 1 283 . 1 1 43 43 LEU HD12 H 1 0.7 0.02 . 1 . . . . . . . . 4348 1 284 . 1 1 43 43 LEU HD13 H 1 0.7 0.02 . 1 . . . . . . . . 4348 1 285 . 1 1 43 43 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 4348 1 286 . 1 1 43 43 LEU HD21 H 1 0.59 0.02 . 1 . . . . . . . . 4348 1 287 . 1 1 43 43 LEU HD22 H 1 0.59 0.02 . 1 . . . . . . . . 4348 1 288 . 1 1 43 43 LEU HD23 H 1 0.59 0.02 . 1 . . . . . . . . 4348 1 289 . 1 1 43 43 LEU CD2 C 13 22.9 0.2 . 1 . . . . . . . . 4348 1 290 . 1 1 43 43 LEU C C 13 180.1 0.2 . 1 . . . . . . . . 4348 1 291 . 1 1 44 44 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4348 1 292 . 1 1 44 44 LEU N N 15 117.6 0.2 . 1 . . . . . . . . 4348 1 293 . 1 1 44 44 LEU HA H 1 4 0.02 . 1 . . . . . . . . 4348 1 294 . 1 1 44 44 LEU CA C 13 58.6 0.2 . 1 . . . . . . . . 4348 1 295 . 1 1 44 44 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4348 1 296 . 1 1 44 44 LEU HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4348 1 297 . 1 1 44 44 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 4348 1 298 . 1 1 44 44 LEU HG H 1 1.49 0.02 . 1 . . . . . . . . 4348 1 299 . 1 1 44 44 LEU CG C 13 27.8 0.2 . 1 . . . . . . . . 4348 1 300 . 1 1 44 44 LEU HD11 H 1 0.46 0.02 . 1 . . . . . . . . 4348 1 301 . 1 1 44 44 LEU HD12 H 1 0.46 0.02 . 1 . . . . . . . . 4348 1 302 . 1 1 44 44 LEU HD13 H 1 0.46 0.02 . 1 . . . . . . . . 4348 1 303 . 1 1 44 44 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4348 1 304 . 1 1 44 44 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4348 1 305 . 1 1 44 44 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4348 1 306 . 1 1 44 44 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4348 1 307 . 1 1 44 44 LEU CD2 C 13 24.5 0.2 . 1 . . . . . . . . 4348 1 308 . 1 1 44 44 LEU C C 13 178.6 0.2 . 1 . . . . . . . . 4348 1 309 . 1 1 45 45 SER H H 1 7.78 0.02 . 1 . . . . . . . . 4348 1 310 . 1 1 45 45 SER N N 15 113 0.2 . 1 . . . . . . . . 4348 1 311 . 1 1 45 45 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4348 1 312 . 1 1 45 45 SER CA C 13 61 0.2 . 1 . . . . . . . . 4348 1 313 . 1 1 45 45 SER C C 13 174.9 0.2 . 1 . . . . . . . . 4348 1 314 . 1 1 46 46 GLU H H 1 7.32 0.02 . 1 . . . . . . . . 4348 1 315 . 1 1 46 46 GLU N N 15 118 0.2 . 1 . . . . . . . . 4348 1 316 . 1 1 46 46 GLU HA H 1 4.58 0.02 . 1 . . . . . . . . 4348 1 317 . 1 1 46 46 GLU CA C 13 57.6 0.2 . 1 . . . . . . . . 4348 1 318 . 1 1 46 46 GLU HB2 H 1 2.47 0.02 . 2 . . . . . . . . 4348 1 319 . 1 1 46 46 GLU CB C 13 31 0.2 . 1 . . . . . . . . 4348 1 320 . 1 1 46 46 GLU HG2 H 1 2.45 0.02 . 2 . . . . . . . . 4348 1 321 . 1 1 46 46 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 4348 1 322 . 1 1 46 46 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 4348 1 323 . 1 1 46 46 GLU C C 13 178 0.2 . 1 . . . . . . . . 4348 1 324 . 1 1 47 47 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 4348 1 325 . 1 1 47 47 ALA N N 15 120.4 0.2 . 1 . . . . . . . . 4348 1 326 . 1 1 47 47 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 4348 1 327 . 1 1 47 47 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4348 1 328 . 1 1 47 47 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4348 1 329 . 1 1 47 47 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4348 1 330 . 1 1 47 47 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4348 1 331 . 1 1 47 47 ALA CB C 13 20.3 0.2 . 1 . . . . . . . . 4348 1 332 . 1 1 47 47 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 4348 1 333 . 1 1 48 48 GLN H H 1 8.94 0.02 . 1 . . . . . . . . 4348 1 334 . 1 1 48 48 GLN N N 15 118 0.2 . 1 . . . . . . . . 4348 1 335 . 1 1 48 48 GLN HA H 1 4.2 0.02 . 1 . . . . . . . . 4348 1 336 . 1 1 48 48 GLN CA C 13 61.2 0.2 . 1 . . . . . . . . 4348 1 337 . 1 1 48 48 GLN HB2 H 1 2.36 0.02 . 2 . . . . . . . . 4348 1 338 . 1 1 48 48 GLN HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4348 1 339 . 1 1 48 48 GLN CB C 13 25.2 0.2 . 1 . . . . . . . . 4348 1 340 . 1 1 48 48 GLN HG2 H 1 2.34 0.02 . 2 . . . . . . . . 4348 1 341 . 1 1 48 48 GLN HG3 H 1 2.45 0.02 . 2 . . . . . . . . 4348 1 342 . 1 1 48 48 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 4348 1 343 . 1 1 49 49 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 4348 1 344 . 1 1 49 49 PRO CA C 13 66 0.2 . 1 . . . . . . . . 4348 1 345 . 1 1 49 49 PRO HD2 H 1 3.67 0.02 . 2 . . . . . . . . 4348 1 346 . 1 1 49 49 PRO HD3 H 1 3.82 0.02 . 2 . . . . . . . . 4348 1 347 . 1 1 49 49 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4348 1 348 . 1 1 49 49 PRO C C 13 178.5 0.2 . 1 . . . . . . . . 4348 1 349 . 1 1 50 50 GLU H H 1 6.73 0.02 . 1 . . . . . . . . 4348 1 350 . 1 1 50 50 GLU N N 15 116.1 0.2 . 1 . . . . . . . . 4348 1 351 . 1 1 50 50 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4348 1 352 . 1 1 50 50 GLU CA C 13 58.7 0.2 . 1 . . . . . . . . 4348 1 353 . 1 1 50 50 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4348 1 354 . 1 1 50 50 GLU HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4348 1 355 . 1 1 50 50 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 4348 1 356 . 1 1 50 50 GLU HG2 H 1 1.82 0.02 . 2 . . . . . . . . 4348 1 357 . 1 1 50 50 GLU HG3 H 1 1.9 0.02 . 2 . . . . . . . . 4348 1 358 . 1 1 50 50 GLU CG C 13 35.2 0.2 . 1 . . . . . . . . 4348 1 359 . 1 1 51 51 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4348 1 360 . 1 1 51 51 LEU N N 15 124.4 0.2 . 1 . . . . . . . . 4348 1 361 . 1 1 51 51 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4348 1 362 . 1 1 51 51 LEU CA C 13 59.2 0.2 . 1 . . . . . . . . 4348 1 363 . 1 1 51 51 LEU HB2 H 1 1.9 0.02 . 2 . . . . . . . . 4348 1 364 . 1 1 51 51 LEU HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4348 1 365 . 1 1 51 51 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4348 1 366 . 1 1 51 51 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 4348 1 367 . 1 1 51 51 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 4348 1 368 . 1 1 51 51 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 4348 1 369 . 1 1 51 51 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 4348 1 370 . 1 1 51 51 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 4348 1 371 . 1 1 51 51 LEU CD1 C 13 27.8 0.2 . 1 . . . . . . . . 4348 1 372 . 1 1 51 51 LEU HD21 H 1 1.02 0.02 . 1 . . . . . . . . 4348 1 373 . 1 1 51 51 LEU HD22 H 1 1.02 0.02 . 1 . . . . . . . . 4348 1 374 . 1 1 51 51 LEU HD23 H 1 1.02 0.02 . 1 . . . . . . . . 4348 1 375 . 1 1 51 51 LEU CD2 C 13 26.6 0.2 . 1 . . . . . . . . 4348 1 376 . 1 1 51 51 LEU C C 13 178.1 0.2 . 1 . . . . . . . . 4348 1 377 . 1 1 52 52 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 4348 1 378 . 1 1 52 52 GLU N N 15 118.1 0.2 . 1 . . . . . . . . 4348 1 379 . 1 1 52 52 GLU HA H 1 3.71 0.02 . 1 . . . . . . . . 4348 1 380 . 1 1 52 52 GLU CA C 13 60.9 0.2 . 1 . . . . . . . . 4348 1 381 . 1 1 52 52 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4348 1 382 . 1 1 52 52 GLU HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4348 1 383 . 1 1 52 52 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 4348 1 384 . 1 1 52 52 GLU C C 13 178.2 0.2 . 1 . . . . . . . . 4348 1 385 . 1 1 53 53 ARG H H 1 9.1 0.02 . 1 . . . . . . . . 4348 1 386 . 1 1 53 53 ARG N N 15 118.3 0.2 . 1 . . . . . . . . 4348 1 387 . 1 1 53 53 ARG HA H 1 3.92 0.02 . 1 . . . . . . . . 4348 1 388 . 1 1 53 53 ARG CA C 13 60.3 0.2 . 1 . . . . . . . . 4348 1 389 . 1 1 53 53 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4348 1 390 . 1 1 53 53 ARG HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4348 1 391 . 1 1 53 53 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 4348 1 392 . 1 1 53 53 ARG C C 13 179.5 0.2 . 1 . . . . . . . . 4348 1 393 . 1 1 54 54 THR H H 1 8.12 0.02 . 1 . . . . . . . . 4348 1 394 . 1 1 54 54 THR N N 15 117.6 0.2 . 1 . . . . . . . . 4348 1 395 . 1 1 54 54 THR HA H 1 3.86 0.02 . 1 . . . . . . . . 4348 1 396 . 1 1 54 54 THR CA C 13 67.5 0.2 . 1 . . . . . . . . 4348 1 397 . 1 1 54 54 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 4348 1 398 . 1 1 54 54 THR CB C 13 67.9 0.2 . 1 . . . . . . . . 4348 1 399 . 1 1 54 54 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 4348 1 400 . 1 1 54 54 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 4348 1 401 . 1 1 54 54 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 4348 1 402 . 1 1 54 54 THR CG2 C 13 21 0.2 . 1 . . . . . . . . 4348 1 403 . 1 1 55 55 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 4348 1 404 . 1 1 55 55 LEU N N 15 122.3 0.2 . 1 . . . . . . . . 4348 1 405 . 1 1 55 55 LEU HA H 1 3.81 0.02 . 1 . . . . . . . . 4348 1 406 . 1 1 55 55 LEU CA C 13 58.6 0.2 . 1 . . . . . . . . 4348 1 407 . 1 1 55 55 LEU HB2 H 1 1.2 0.02 . 2 . . . . . . . . 4348 1 408 . 1 1 55 55 LEU HB3 H 1 1.8 0.02 . 2 . . . . . . . . 4348 1 409 . 1 1 55 55 LEU CB C 13 40.6 0.2 . 1 . . . . . . . . 4348 1 410 . 1 1 55 55 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . 4348 1 411 . 1 1 55 55 LEU CG C 13 27 0.2 . 1 . . . . . . . . 4348 1 412 . 1 1 55 55 LEU HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4348 1 413 . 1 1 55 55 LEU HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4348 1 414 . 1 1 55 55 LEU HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4348 1 415 . 1 1 55 55 LEU CD1 C 13 25.9 0.2 . 1 . . . . . . . . 4348 1 416 . 1 1 55 55 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 4348 1 417 . 1 1 55 55 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 4348 1 418 . 1 1 55 55 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 4348 1 419 . 1 1 55 55 LEU CD2 C 13 23.7 0.2 . 1 . . . . . . . . 4348 1 420 . 1 1 55 55 LEU C C 13 178 0.2 . 1 . . . . . . . . 4348 1 421 . 1 1 56 56 LEU H H 1 8.82 0.02 . 1 . . . . . . . . 4348 1 422 . 1 1 56 56 LEU N N 15 120.6 0.2 . 1 . . . . . . . . 4348 1 423 . 1 1 56 56 LEU HA H 1 4 0.02 . 1 . . . . . . . . 4348 1 424 . 1 1 56 56 LEU CA C 13 58.8 0.2 . 1 . . . . . . . . 4348 1 425 . 1 1 56 56 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4348 1 426 . 1 1 56 56 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4348 1 427 . 1 1 56 56 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4348 1 428 . 1 1 56 56 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4348 1 429 . 1 1 56 56 LEU CG C 13 27.7 0.2 . 1 . . . . . . . . 4348 1 430 . 1 1 56 56 LEU HD11 H 1 0.98 0.02 . 1 . . . . . . . . 4348 1 431 . 1 1 56 56 LEU HD12 H 1 0.98 0.02 . 1 . . . . . . . . 4348 1 432 . 1 1 56 56 LEU HD13 H 1 0.98 0.02 . 1 . . . . . . . . 4348 1 433 . 1 1 56 56 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4348 1 434 . 1 1 56 56 LEU HD21 H 1 1.05 0.02 . 1 . . . . . . . . 4348 1 435 . 1 1 56 56 LEU HD22 H 1 1.05 0.02 . 1 . . . . . . . . 4348 1 436 . 1 1 56 56 LEU HD23 H 1 1.05 0.02 . 1 . . . . . . . . 4348 1 437 . 1 1 56 56 LEU CD2 C 13 26.2 0.2 . 1 . . . . . . . . 4348 1 438 . 1 1 56 56 LEU C C 13 178.6 0.2 . 1 . . . . . . . . 4348 1 439 . 1 1 57 57 THR H H 1 8.39 0.02 . 1 . . . . . . . . 4348 1 440 . 1 1 57 57 THR N N 15 114.1 0.2 . 1 . . . . . . . . 4348 1 441 . 1 1 57 57 THR HA H 1 3.81 0.02 . 1 . . . . . . . . 4348 1 442 . 1 1 57 57 THR CA C 13 67.3 0.2 . 1 . . . . . . . . 4348 1 443 . 1 1 57 57 THR HB H 1 4.31 0.02 . 1 . . . . . . . . 4348 1 444 . 1 1 57 57 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 4348 1 445 . 1 1 57 57 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4348 1 446 . 1 1 57 57 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4348 1 447 . 1 1 57 57 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4348 1 448 . 1 1 57 57 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4348 1 449 . 1 1 57 57 THR C C 13 177.1 0.2 . 1 . . . . . . . . 4348 1 450 . 1 1 58 58 THR H H 1 7.77 0.02 . 1 . . . . . . . . 4348 1 451 . 1 1 58 58 THR N N 15 117.9 0.2 . 1 . . . . . . . . 4348 1 452 . 1 1 58 58 THR HA H 1 3.86 0.02 . 1 . . . . . . . . 4348 1 453 . 1 1 58 58 THR CA C 13 67.7 0.2 . 1 . . . . . . . . 4348 1 454 . 1 1 58 58 THR HB H 1 4.1 0.02 . 1 . . . . . . . . 4348 1 455 . 1 1 58 58 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 4348 1 456 . 1 1 58 58 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4348 1 457 . 1 1 58 58 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4348 1 458 . 1 1 58 58 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4348 1 459 . 1 1 58 58 THR CG2 C 13 20.9 0.2 . 1 . . . . . . . . 4348 1 460 . 1 1 58 58 THR C C 13 176.2 0.2 . 1 . . . . . . . . 4348 1 461 . 1 1 59 59 ALA H H 1 8.68 0.02 . 1 . . . . . . . . 4348 1 462 . 1 1 59 59 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4348 1 463 . 1 1 59 59 ALA HA H 1 3.94 0.02 . 1 . . . . . . . . 4348 1 464 . 1 1 59 59 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 4348 1 465 . 1 1 59 59 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4348 1 466 . 1 1 59 59 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4348 1 467 . 1 1 59 59 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4348 1 468 . 1 1 59 59 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 4348 1 469 . 1 1 59 59 ALA C C 13 178.9 0.2 . 1 . . . . . . . . 4348 1 470 . 1 1 60 60 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 4348 1 471 . 1 1 60 60 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4348 1 472 . 1 1 60 60 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 4348 1 473 . 1 1 60 60 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 4348 1 474 . 1 1 60 60 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 4348 1 475 . 1 1 60 60 LEU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4348 1 476 . 1 1 60 60 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4348 1 477 . 1 1 60 60 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4348 1 478 . 1 1 60 60 LEU CG C 13 27.6 0.2 . 1 . . . . . . . . 4348 1 479 . 1 1 60 60 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4348 1 480 . 1 1 60 60 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4348 1 481 . 1 1 60 60 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4348 1 482 . 1 1 60 60 LEU CD1 C 13 25.8 0.2 . 1 . . . . . . . . 4348 1 483 . 1 1 60 60 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 4348 1 484 . 1 1 60 60 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 4348 1 485 . 1 1 60 60 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 4348 1 486 . 1 1 60 60 LEU CD2 C 13 23.7 0.2 . 1 . . . . . . . . 4348 1 487 . 1 1 60 60 LEU C C 13 179.5 0.2 . 1 . . . . . . . . 4348 1 488 . 1 1 61 61 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 4348 1 489 . 1 1 61 61 ARG N N 15 119.7 0.2 . 1 . . . . . . . . 4348 1 490 . 1 1 61 61 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 4348 1 491 . 1 1 61 61 ARG CA C 13 59.5 0.2 . 1 . . . . . . . . 4348 1 492 . 1 1 61 61 ARG C C 13 180 0.2 . 1 . . . . . . . . 4348 1 493 . 1 1 62 62 HIS H H 1 8.07 0.02 . 1 . . . . . . . . 4348 1 494 . 1 1 62 62 HIS N N 15 120.1 0.2 . 1 . . . . . . . . 4348 1 495 . 1 1 62 62 HIS HA H 1 4.28 0.02 . 1 . . . . . . . . 4348 1 496 . 1 1 62 62 HIS CA C 13 60 0.2 . 1 . . . . . . . . 4348 1 497 . 1 1 62 62 HIS HB2 H 1 3.38 0.02 . 2 . . . . . . . . 4348 1 498 . 1 1 62 62 HIS HB3 H 1 3.21 0.02 . 2 . . . . . . . . 4348 1 499 . 1 1 62 62 HIS CB C 13 31.2 0.2 . 1 . . . . . . . . 4348 1 500 . 1 1 62 62 HIS C C 13 176.8 0.2 . 1 . . . . . . . . 4348 1 501 . 1 1 63 63 THR H H 1 8.15 0.02 . 1 . . . . . . . . 4348 1 502 . 1 1 63 63 THR N N 15 106.4 0.2 . 1 . . . . . . . . 4348 1 503 . 1 1 63 63 THR HA H 1 4.48 0.02 . 1 . . . . . . . . 4348 1 504 . 1 1 63 63 THR CA C 13 61 0.2 . 1 . . . . . . . . 4348 1 505 . 1 1 63 63 THR HB H 1 4.91 0.02 . 1 . . . . . . . . 4348 1 506 . 1 1 63 63 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 4348 1 507 . 1 1 63 63 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4348 1 508 . 1 1 63 63 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4348 1 509 . 1 1 63 63 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4348 1 510 . 1 1 63 63 THR CG2 C 13 22.2 0.2 . 1 . . . . . . . . 4348 1 511 . 1 1 63 63 THR C C 13 175 0.2 . 1 . . . . . . . . 4348 1 512 . 1 1 64 64 GLN H H 1 7.84 0.02 . 1 . . . . . . . . 4348 1 513 . 1 1 64 64 GLN N N 15 118.5 0.2 . 1 . . . . . . . . 4348 1 514 . 1 1 64 64 GLN HA H 1 3.98 0.02 . 1 . . . . . . . . 4348 1 515 . 1 1 64 64 GLN CA C 13 56.8 0.2 . 1 . . . . . . . . 4348 1 516 . 1 1 64 64 GLN HG2 H 1 2.33 0.02 . 2 . . . . . . . . 4348 1 517 . 1 1 64 64 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 4348 1 518 . 1 1 64 64 GLN C C 13 176.3 0.2 . 1 . . . . . . . . 4348 1 519 . 1 1 65 65 GLY H H 1 8.99 0.02 . 1 . . . . . . . . 4348 1 520 . 1 1 65 65 GLY N N 15 103.9 0.2 . 1 . . . . . . . . 4348 1 521 . 1 1 65 65 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 4348 1 522 . 1 1 65 65 GLY HA3 H 1 3.41 0.02 . 2 . . . . . . . . 4348 1 523 . 1 1 65 65 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4348 1 524 . 1 1 65 65 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 4348 1 525 . 1 1 66 66 HIS H H 1 7.59 0.02 . 1 . . . . . . . . 4348 1 526 . 1 1 66 66 HIS N N 15 120.3 0.2 . 1 . . . . . . . . 4348 1 527 . 1 1 66 66 HIS HA H 1 3.57 0.02 . 1 . . . . . . . . 4348 1 528 . 1 1 66 66 HIS CA C 13 56.2 0.2 . 1 . . . . . . . . 4348 1 529 . 1 1 66 66 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4348 1 530 . 1 1 66 66 HIS HB3 H 1 3.56 0.02 . 2 . . . . . . . . 4348 1 531 . 1 1 66 66 HIS CB C 13 29.1 0.2 . 1 . . . . . . . . 4348 1 532 . 1 1 67 67 LYS HA H 1 3.79 0.02 . 1 . . . . . . . . 4348 1 533 . 1 1 67 67 LYS CA C 13 61.1 0.2 . 1 . . . . . . . . 4348 1 534 . 1 1 67 67 LYS C C 13 177.5 0.2 . 1 . . . . . . . . 4348 1 535 . 1 1 68 68 GLN H H 1 8.82 0.02 . 1 . . . . . . . . 4348 1 536 . 1 1 68 68 GLN N N 15 118.9 0.2 . 1 . . . . . . . . 4348 1 537 . 1 1 68 68 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 4348 1 538 . 1 1 68 68 GLN CA C 13 60 0.2 . 1 . . . . . . . . 4348 1 539 . 1 1 68 68 GLN HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4348 1 540 . 1 1 68 68 GLN HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4348 1 541 . 1 1 68 68 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 4348 1 542 . 1 1 68 68 GLN HG2 H 1 2.54 0.02 . 2 . . . . . . . . 4348 1 543 . 1 1 68 68 GLN CG C 13 34.5 0.2 . 1 . . . . . . . . 4348 1 544 . 1 1 68 68 GLN C C 13 179.2 0.2 . 1 . . . . . . . . 4348 1 545 . 1 1 69 69 GLU H H 1 8.6 0.02 . 1 . . . . . . . . 4348 1 546 . 1 1 69 69 GLU N N 15 120.2 0.2 . 1 . . . . . . . . 4348 1 547 . 1 1 69 69 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4348 1 548 . 1 1 69 69 GLU CA C 13 58.9 0.2 . 1 . . . . . . . . 4348 1 549 . 1 1 69 69 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4348 1 550 . 1 1 69 69 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4348 1 551 . 1 1 69 69 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 4348 1 552 . 1 1 69 69 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 4348 1 553 . 1 1 69 69 GLU CG C 13 34.1 0.2 . 1 . . . . . . . . 4348 1 554 . 1 1 69 69 GLU C C 13 178.3 0.2 . 1 . . . . . . . . 4348 1 555 . 1 1 70 70 ALA H H 1 7.88 0.02 . 1 . . . . . . . . 4348 1 556 . 1 1 70 70 ALA N N 15 121 0.2 . 1 . . . . . . . . 4348 1 557 . 1 1 70 70 ALA HA H 1 3.9 0.02 . 1 . . . . . . . . 4348 1 558 . 1 1 70 70 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 4348 1 559 . 1 1 70 70 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4348 1 560 . 1 1 70 70 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4348 1 561 . 1 1 70 70 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4348 1 562 . 1 1 70 70 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 4348 1 563 . 1 1 70 70 ALA C C 13 178.4 0.2 . 1 . . . . . . . . 4348 1 564 . 1 1 71 71 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4348 1 565 . 1 1 71 71 ALA N N 15 118.4 0.2 . 1 . . . . . . . . 4348 1 566 . 1 1 71 71 ALA HA H 1 3.95 0.02 . 1 . . . . . . . . 4348 1 567 . 1 1 71 71 ALA CA C 13 56 0.2 . 1 . . . . . . . . 4348 1 568 . 1 1 71 71 ALA HB1 H 1 1.72 0.02 . 1 . . . . . . . . 4348 1 569 . 1 1 71 71 ALA HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4348 1 570 . 1 1 71 71 ALA HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4348 1 571 . 1 1 71 71 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4348 1 572 . 1 1 71 71 ALA C C 13 179.5 0.2 . 1 . . . . . . . . 4348 1 573 . 1 1 72 72 ARG H H 1 7.68 0.02 . 1 . . . . . . . . 4348 1 574 . 1 1 72 72 ARG N N 15 118.4 0.2 . 1 . . . . . . . . 4348 1 575 . 1 1 72 72 ARG HA H 1 4.2 0.02 . 1 . . . . . . . . 4348 1 576 . 1 1 72 72 ARG CA C 13 59.4 0.2 . 1 . . . . . . . . 4348 1 577 . 1 1 72 72 ARG HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4348 1 578 . 1 1 72 72 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 4348 1 579 . 1 1 72 72 ARG C C 13 179.6 0.2 . 1 . . . . . . . . 4348 1 580 . 1 1 73 73 LEU H H 1 7.8 0.02 . 1 . . . . . . . . 4348 1 581 . 1 1 73 73 LEU N N 15 118.1 0.2 . 1 . . . . . . . . 4348 1 582 . 1 1 73 73 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4348 1 583 . 1 1 73 73 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 4348 1 584 . 1 1 73 73 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 4348 1 585 . 1 1 73 73 LEU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4348 1 586 . 1 1 73 73 LEU CB C 13 41 0.2 . 1 . . . . . . . . 4348 1 587 . 1 1 73 73 LEU HD11 H 1 1 0.02 . 1 . . . . . . . . 4348 1 588 . 1 1 73 73 LEU HD12 H 1 1 0.02 . 1 . . . . . . . . 4348 1 589 . 1 1 73 73 LEU HD13 H 1 1 0.02 . 1 . . . . . . . . 4348 1 590 . 1 1 73 73 LEU CD1 C 13 26.2 0.2 . 1 . . . . . . . . 4348 1 591 . 1 1 73 73 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4348 1 592 . 1 1 73 73 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4348 1 593 . 1 1 73 73 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4348 1 594 . 1 1 73 73 LEU CD2 C 13 22 0.2 . 1 . . . . . . . . 4348 1 595 . 1 1 73 73 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 4348 1 596 . 1 1 74 74 LEU H H 1 7.67 0.02 . 1 . . . . . . . . 4348 1 597 . 1 1 74 74 LEU N N 15 117.2 0.2 . 1 . . . . . . . . 4348 1 598 . 1 1 74 74 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 4348 1 599 . 1 1 74 74 LEU CA C 13 56.7 0.2 . 1 . . . . . . . . 4348 1 600 . 1 1 74 74 LEU HB2 H 1 1.35 0.02 . 2 . . . . . . . . 4348 1 601 . 1 1 74 74 LEU HB3 H 1 0.74 0.02 . 2 . . . . . . . . 4348 1 602 . 1 1 74 74 LEU CB C 13 42 0.2 . 1 . . . . . . . . 4348 1 603 . 1 1 74 74 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 4348 1 604 . 1 1 74 74 LEU CG C 13 26 0.2 . 1 . . . . . . . . 4348 1 605 . 1 1 74 74 LEU HD11 H 1 0.46 0.02 . 1 . . . . . . . . 4348 1 606 . 1 1 74 74 LEU HD12 H 1 0.46 0.02 . 1 . . . . . . . . 4348 1 607 . 1 1 74 74 LEU HD13 H 1 0.46 0.02 . 1 . . . . . . . . 4348 1 608 . 1 1 74 74 LEU CD1 C 13 25.5 0.2 . 1 . . . . . . . . 4348 1 609 . 1 1 74 74 LEU HD21 H 1 0.36 0.02 . 1 . . . . . . . . 4348 1 610 . 1 1 74 74 LEU HD22 H 1 0.36 0.02 . 1 . . . . . . . . 4348 1 611 . 1 1 74 74 LEU HD23 H 1 0.36 0.02 . 1 . . . . . . . . 4348 1 612 . 1 1 74 74 LEU CD2 C 13 23.8 0.2 . 1 . . . . . . . . 4348 1 613 . 1 1 74 74 LEU C C 13 176.1 0.2 . 1 . . . . . . . . 4348 1 614 . 1 1 75 75 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 4348 1 615 . 1 1 75 75 GLY N N 15 104.7 0.2 . 1 . . . . . . . . 4348 1 616 . 1 1 75 75 GLY HA2 H 1 4.42 0.02 . 2 . . . . . . . . 4348 1 617 . 1 1 75 75 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 4348 1 618 . 1 1 75 75 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4348 1 619 . 1 1 75 75 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 4348 1 620 . 1 1 76 76 TRP H H 1 7.96 0.02 . 1 . . . . . . . . 4348 1 621 . 1 1 76 76 TRP N N 15 121.4 0.2 . 1 . . . . . . . . 4348 1 622 . 1 1 76 76 TRP HA H 1 5.33 0.02 . 1 . . . . . . . . 4348 1 623 . 1 1 76 76 TRP CA C 13 53.4 0.2 . 1 . . . . . . . . 4348 1 624 . 1 1 76 76 TRP HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4348 1 625 . 1 1 76 76 TRP HB3 H 1 3.07 0.02 . 2 . . . . . . . . 4348 1 626 . 1 1 76 76 TRP CB C 13 32.8 0.2 . 1 . . . . . . . . 4348 1 627 . 1 1 76 76 TRP HD1 H 1 7.2 0.02 . 1 . . . . . . . . 4348 1 628 . 1 1 76 76 TRP CD1 C 13 124.7 0.2 . 1 . . . . . . . . 4348 1 629 . 1 1 76 76 TRP HE3 H 1 7.13 0.02 . 1 . . . . . . . . 4348 1 630 . 1 1 76 76 TRP CE3 C 13 118.5 0.2 . 1 . . . . . . . . 4348 1 631 . 1 1 76 76 TRP HZ2 H 1 7.32 0.02 . 1 . . . . . . . . 4348 1 632 . 1 1 76 76 TRP CZ2 C 13 114.2 0.2 . 1 . . . . . . . . 4348 1 633 . 1 1 76 76 TRP HZ3 H 1 6.88 0.02 . 1 . . . . . . . . 4348 1 634 . 1 1 76 76 TRP CZ3 C 13 120.8 0.2 . 1 . . . . . . . . 4348 1 635 . 1 1 76 76 TRP HH2 H 1 6.89 0.02 . 1 . . . . . . . . 4348 1 636 . 1 1 76 76 TRP CH2 C 13 122.8 0.2 . 1 . . . . . . . . 4348 1 637 . 1 1 76 76 TRP HE1 H 1 10.17 0.02 . 1 . . . . . . . . 4348 1 638 . 1 1 76 76 TRP NE1 N 15 129.2 0.2 . 1 . . . . . . . . 4348 1 639 . 1 1 76 76 TRP C C 13 177 0.2 . 1 . . . . . . . . 4348 1 640 . 1 1 77 77 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 4348 1 641 . 1 1 77 77 GLY N N 15 106.6 0.2 . 1 . . . . . . . . 4348 1 642 . 1 1 77 77 GLY HA2 H 1 4.39 0.02 . 2 . . . . . . . . 4348 1 643 . 1 1 77 77 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 4348 1 644 . 1 1 77 77 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 4348 1 645 . 1 1 77 77 GLY C C 13 175 0.2 . 1 . . . . . . . . 4348 1 646 . 1 1 78 78 ALA H H 1 8.74 0.02 . 1 . . . . . . . . 4348 1 647 . 1 1 78 78 ALA N N 15 124 0.2 . 1 . . . . . . . . 4348 1 648 . 1 1 78 78 ALA HA H 1 4 0.02 . 1 . . . . . . . . 4348 1 649 . 1 1 78 78 ALA CA C 13 56 0.2 . 1 . . . . . . . . 4348 1 650 . 1 1 78 78 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 4348 1 651 . 1 1 78 78 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 4348 1 652 . 1 1 78 78 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 4348 1 653 . 1 1 78 78 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 4348 1 654 . 1 1 79 79 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4348 1 655 . 1 1 79 79 ALA CA C 13 55 0.2 . 1 . . . . . . . . 4348 1 656 . 1 1 79 79 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4348 1 657 . 1 1 79 79 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4348 1 658 . 1 1 79 79 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4348 1 659 . 1 1 79 79 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4348 1 660 . 1 1 79 79 ALA C C 13 180.8 0.2 . 1 . . . . . . . . 4348 1 661 . 1 1 80 80 THR H H 1 7.52 0.02 . 1 . . . . . . . . 4348 1 662 . 1 1 80 80 THR N N 15 116.9 0.2 . 1 . . . . . . . . 4348 1 663 . 1 1 80 80 THR HA H 1 3.8 0.02 . 1 . . . . . . . . 4348 1 664 . 1 1 80 80 THR CA C 13 65.8 0.2 . 1 . . . . . . . . 4348 1 665 . 1 1 80 80 THR HB H 1 3.96 0.02 . 1 . . . . . . . . 4348 1 666 . 1 1 80 80 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 4348 1 667 . 1 1 80 80 THR HG21 H 1 0.33 0.02 . 1 . . . . . . . . 4348 1 668 . 1 1 80 80 THR HG22 H 1 0.33 0.02 . 1 . . . . . . . . 4348 1 669 . 1 1 80 80 THR HG23 H 1 0.33 0.02 . 1 . . . . . . . . 4348 1 670 . 1 1 80 80 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 4348 1 671 . 1 1 80 80 THR C C 13 175 0.2 . 1 . . . . . . . . 4348 1 672 . 1 1 81 81 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 4348 1 673 . 1 1 81 81 LEU N N 15 121.3 0.2 . 1 . . . . . . . . 4348 1 674 . 1 1 81 81 LEU HA H 1 3.86 0.02 . 1 . . . . . . . . 4348 1 675 . 1 1 81 81 LEU CA C 13 59.5 0.2 . 1 . . . . . . . . 4348 1 676 . 1 1 81 81 LEU HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4348 1 677 . 1 1 81 81 LEU HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4348 1 678 . 1 1 81 81 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 4348 1 679 . 1 1 81 81 LEU HG H 1 1.82 0.02 . 1 . . . . . . . . 4348 1 680 . 1 1 81 81 LEU CG C 13 27.5 0.2 . 1 . . . . . . . . 4348 1 681 . 1 1 81 81 LEU HD11 H 1 1.11 0.02 . 1 . . . . . . . . 4348 1 682 . 1 1 81 81 LEU HD12 H 1 1.11 0.02 . 1 . . . . . . . . 4348 1 683 . 1 1 81 81 LEU HD13 H 1 1.11 0.02 . 1 . . . . . . . . 4348 1 684 . 1 1 81 81 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 4348 1 685 . 1 1 81 81 LEU HD21 H 1 1.02 0.02 . 1 . . . . . . . . 4348 1 686 . 1 1 81 81 LEU HD22 H 1 1.02 0.02 . 1 . . . . . . . . 4348 1 687 . 1 1 81 81 LEU HD23 H 1 1.02 0.02 . 1 . . . . . . . . 4348 1 688 . 1 1 81 81 LEU CD2 C 13 26.3 0.2 . 1 . . . . . . . . 4348 1 689 . 1 1 81 81 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 4348 1 690 . 1 1 82 82 THR H H 1 8.06 0.02 . 1 . . . . . . . . 4348 1 691 . 1 1 82 82 THR N N 15 113.9 0.2 . 1 . . . . . . . . 4348 1 692 . 1 1 82 82 THR HA H 1 3.74 0.02 . 1 . . . . . . . . 4348 1 693 . 1 1 82 82 THR CA C 13 67.3 0.2 . 1 . . . . . . . . 4348 1 694 . 1 1 82 82 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 4348 1 695 . 1 1 82 82 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 4348 1 696 . 1 1 82 82 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4348 1 697 . 1 1 82 82 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4348 1 698 . 1 1 82 82 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4348 1 699 . 1 1 82 82 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 4348 1 700 . 1 1 82 82 THR C C 13 176.1 0.2 . 1 . . . . . . . . 4348 1 701 . 1 1 83 83 ALA H H 1 7.46 0.02 . 1 . . . . . . . . 4348 1 702 . 1 1 83 83 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 4348 1 703 . 1 1 83 83 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4348 1 704 . 1 1 83 83 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4348 1 705 . 1 1 83 83 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4348 1 706 . 1 1 83 83 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4348 1 707 . 1 1 83 83 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4348 1 708 . 1 1 83 83 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 4348 1 709 . 1 1 83 83 ALA C C 13 180.8 0.2 . 1 . . . . . . . . 4348 1 710 . 1 1 84 84 LYS H H 1 8.46 0.02 . 1 . . . . . . . . 4348 1 711 . 1 1 84 84 LYS N N 15 120.4 0.2 . 1 . . . . . . . . 4348 1 712 . 1 1 84 84 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4348 1 713 . 1 1 84 84 LYS CA C 13 57.5 0.2 . 1 . . . . . . . . 4348 1 714 . 1 1 84 84 LYS C C 13 178.5 0.2 . 1 . . . . . . . . 4348 1 715 . 1 1 85 85 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 4348 1 716 . 1 1 85 85 LEU N N 15 118.7 0.2 . 1 . . . . . . . . 4348 1 717 . 1 1 85 85 LEU HA H 1 3.9 0.02 . 1 . . . . . . . . 4348 1 718 . 1 1 85 85 LEU CA C 13 58.7 0.2 . 1 . . . . . . . . 4348 1 719 . 1 1 85 85 LEU HB2 H 1 1.36 0.02 . 2 . . . . . . . . 4348 1 720 . 1 1 85 85 LEU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4348 1 721 . 1 1 85 85 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4348 1 722 . 1 1 85 85 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 723 . 1 1 85 85 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 724 . 1 1 85 85 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 725 . 1 1 85 85 LEU CD1 C 13 26.5 0.2 . 1 . . . . . . . . 4348 1 726 . 1 1 85 85 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 727 . 1 1 85 85 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 728 . 1 1 85 85 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4348 1 729 . 1 1 85 85 LEU CD2 C 13 24 0.2 . 1 . . . . . . . . 4348 1 730 . 1 1 85 85 LEU C C 13 179 0.2 . 1 . . . . . . . . 4348 1 731 . 1 1 86 86 LYS H H 1 7.06 0.02 . 1 . . . . . . . . 4348 1 732 . 1 1 86 86 LYS N N 15 116.1 0.2 . 1 . . . . . . . . 4348 1 733 . 1 1 86 86 LYS HA H 1 4.26 0.02 . 1 . . . . . . . . 4348 1 734 . 1 1 86 86 LYS CA C 13 58.6 0.2 . 1 . . . . . . . . 4348 1 735 . 1 1 86 86 LYS HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4348 1 736 . 1 1 86 86 LYS CB C 13 32 0.2 . 1 . . . . . . . . 4348 1 737 . 1 1 86 86 LYS C C 13 180.1 0.2 . 1 . . . . . . . . 4348 1 738 . 1 1 87 87 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 4348 1 739 . 1 1 87 87 GLU N N 15 122.1 0.2 . 1 . . . . . . . . 4348 1 740 . 1 1 87 87 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4348 1 741 . 1 1 87 87 GLU CA C 13 59.3 0.2 . 1 . . . . . . . . 4348 1 742 . 1 1 87 87 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 4348 1 743 . 1 1 87 87 GLU HB3 H 1 2.2 0.02 . 2 . . . . . . . . 4348 1 744 . 1 1 87 87 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 4348 1 745 . 1 1 87 87 GLU HG2 H 1 2.2 0.02 . 2 . . . . . . . . 4348 1 746 . 1 1 87 87 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 4348 1 747 . 1 1 87 87 GLU CG C 13 36 0.2 . 1 . . . . . . . . 4348 1 748 . 1 1 87 87 GLU C C 13 178.1 0.2 . 1 . . . . . . . . 4348 1 749 . 1 1 88 88 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 4348 1 750 . 1 1 88 88 LEU N N 15 114.5 0.2 . 1 . . . . . . . . 4348 1 751 . 1 1 88 88 LEU HA H 1 4.4 0.02 . 1 . . . . . . . . 4348 1 752 . 1 1 88 88 LEU CA C 13 54.5 0.2 . 1 . . . . . . . . 4348 1 753 . 1 1 88 88 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4348 1 754 . 1 1 88 88 LEU HB3 H 1 1.6 0.02 . 2 . . . . . . . . 4348 1 755 . 1 1 88 88 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 4348 1 756 . 1 1 88 88 LEU HG H 1 1.96 0.02 . 1 . . . . . . . . 4348 1 757 . 1 1 88 88 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4348 1 758 . 1 1 88 88 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4348 1 759 . 1 1 88 88 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4348 1 760 . 1 1 88 88 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4348 1 761 . 1 1 88 88 LEU CD1 C 13 26.2 0.2 . 1 . . . . . . . . 4348 1 762 . 1 1 88 88 LEU HD21 H 1 1.09 0.02 . 1 . . . . . . . . 4348 1 763 . 1 1 88 88 LEU HD22 H 1 1.09 0.02 . 1 . . . . . . . . 4348 1 764 . 1 1 88 88 LEU HD23 H 1 1.09 0.02 . 1 . . . . . . . . 4348 1 765 . 1 1 88 88 LEU CD2 C 13 22.2 0.2 . 1 . . . . . . . . 4348 1 766 . 1 1 88 88 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 4348 1 767 . 1 1 89 89 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 4348 1 768 . 1 1 89 89 GLY N N 15 108.5 0.2 . 1 . . . . . . . . 4348 1 769 . 1 1 89 89 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 4348 1 770 . 1 1 89 89 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . 4348 1 771 . 1 1 89 89 GLY CA C 13 46.8 0.2 . 1 . . . . . . . . 4348 1 772 . 1 1 89 89 GLY C C 13 175.2 0.2 . 1 . . . . . . . . 4348 1 773 . 1 1 90 90 MET H H 1 8.33 0.02 . 1 . . . . . . . . 4348 1 774 . 1 1 90 90 MET N N 15 118.1 0.2 . 1 . . . . . . . . 4348 1 775 . 1 1 90 90 MET HA H 1 4.43 0.02 . 1 . . . . . . . . 4348 1 776 . 1 1 90 90 MET CA C 13 56 0.2 . 1 . . . . . . . . 4348 1 777 . 1 1 90 90 MET C C 13 174.7 0.2 . 1 . . . . . . . . 4348 1 778 . 1 1 91 91 GLU H H 1 7.64 0.02 . 1 . . . . . . . . 4348 1 779 . 1 1 91 91 GLU N N 15 124.2 0.2 . 1 . . . . . . . . 4348 1 780 . 1 1 91 91 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 4348 1 781 . 1 1 91 91 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4348 1 782 . 1 1 91 91 GLU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4348 1 783 . 1 1 91 91 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4348 1 784 . 1 1 91 91 GLU CB C 13 33.2 0.2 . 1 . . . . . . . . 4348 1 785 . 1 1 91 91 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 4348 1 786 . 1 1 91 91 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 4348 1 787 . 1 1 91 91 GLU CG C 13 37.2 0.2 . 1 . . . . . . . . 4348 1 788 . 1 1 91 91 GLU C C 13 180.3 0.2 . 1 . . . . . . . . 4348 1 stop_ save_