data_26942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26942 _Entry.Title ; Backbone and Side-Chain (1)H, (13)C, and (15)N Chemical Shift Assignments for the homodimeric Histone-like DNA binding protein (Hup) of Helicobacter pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-12 _Entry.Accession_date 2016-11-12 _Entry.Last_release_date 2016-11-14 _Entry.Original_release_date 2016-11-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'As a part of Drug Discovery Project' _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.ORCID _Entry_author.Entry_ID 1 Nancy Jaiswal . . . . 26942 2 Nisha Raikwal . . . . 26942 3 Himanshu Pandey . . . . 26942 4 Ashish Arora . . . . 26942 5 Dinesh Kumar . . . . 26942 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre of Biomedical Research (CBMR), Lucknow, India' . 26942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 570 26942 '15N chemical shifts' 170 26942 '1H chemical shifts' 421 26942 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 . . 2018-03-16 . original BMRB . 26942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29241299 _Citation.Full_citation . _Citation.Title ; NMR elucidation of monomer-dimer transition and conformational heterogeneity in histone-like DNA binding protein of Helicobacter pylori ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Magn. Reson. Chem.' _Citation.Journal_name_full 'Magnetic resonance in chemistry : MRC' _Citation.Journal_volume 56 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-458X _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 285 _Citation.Page_last 299 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nancy Jaiswal N. . . . 26942 1 2 Nisha Raikwal N. . . . 26942 1 3 Himanshu Pandey H. . . . 26942 1 4 Nipanshu Agarwal N. . . . 26942 1 5 Ashish Arora A. . . . 26942 1 6 'Krishna Mohan' Poluri K. M. . . 26942 1 7 Dinesh Kumar D. . . . 26942 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Gastric Pathologies' 26942 1 'H pylori infections' 26942 1 HSQC 26942 1 'Helicobacter pylori' 26942 1 'Histone Like DNA binding Protein' 26942 1 Hup 26942 1 'NMR Assignment' 26942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26942 _Assembly.ID 1 _Assembly.Name Hup _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 21544 _Assembly.Enzyme_commission_number . _Assembly.Details Homodimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hup, Monomer 1' 1 $Hup A . yes 'partially disordered' yes no . . . 26942 1 2 'Hup, Monomer 2' 1 $Hup B . yes 'partially disordered' yes no . . . 26942 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 yes PDB 1HUE . . 'solution NMR' . . . 26942 1 yes PDB 2NDP . . 'solution NMR' . . . 26942 1 yes PDB 4DKY . . X-ray . . . 26942 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'The assembly binds to DNA to perform various DNA dependent Cellular activities' 26942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hup _Entity.Sf_category entity _Entity.Sf_framecode Hup _Entity.Entry_ID 26942 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hup _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 ; GAMEMNKAEFIDLVKEAGKY NSKREAEEAISAFTLAVETA LSKGESVELIGFGKFETAEQ KGKEGKVPGSDKTYKTEDKR VPKFKPGKTLKQKVEEGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -4 G -3 A -2 M -1 E 1 M 2 N .. 94 K ; _Entity.Polymer_author_seq_details 'Residue -4 to -1 represent cloning artifacts' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10772 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Hup gene was taken from strain ATCC 700392/26695. http://www.uniprot.org/taxonomy/85962 https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&id=85962&lvl=3&lin=f&keep=1&srchmode=1&unlock ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI WP_001029082.1 . 'DNA-binding protein HU [Helicobacter pylori]' . . . . . . . . . . . . . . 26942 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binds to DNA and plays an important role in Nucleoid Formation' 26942 1 'Regulate DNA Transactions' 26942 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 -4 GLY . 26942 1 2 -3 ALA . 26942 1 3 -2 MET . 26942 1 4 -1 GLU . 26942 1 5 1 MET . 26942 1 6 2 ASN . 26942 1 7 3 LYS . 26942 1 8 4 ALA . 26942 1 9 5 GLU . 26942 1 10 6 PHE . 26942 1 11 7 ILE . 26942 1 12 8 ASP . 26942 1 13 9 LEU . 26942 1 14 10 VAL . 26942 1 15 11 LYS . 26942 1 16 12 GLU . 26942 1 17 13 ALA . 26942 1 18 14 GLY . 26942 1 19 15 LYS . 26942 1 20 16 TYR . 26942 1 21 17 ASN . 26942 1 22 18 SER . 26942 1 23 19 LYS . 26942 1 24 20 ARG . 26942 1 25 21 GLU . 26942 1 26 22 ALA . 26942 1 27 23 GLU . 26942 1 28 24 GLU . 26942 1 29 25 ALA . 26942 1 30 26 ILE . 26942 1 31 27 SER . 26942 1 32 28 ALA . 26942 1 33 29 PHE . 26942 1 34 30 THR . 26942 1 35 31 LEU . 26942 1 36 32 ALA . 26942 1 37 33 VAL . 26942 1 38 34 GLU . 26942 1 39 35 THR . 26942 1 40 36 ALA . 26942 1 41 37 LEU . 26942 1 42 38 SER . 26942 1 43 39 LYS . 26942 1 44 40 GLY . 26942 1 45 41 GLU . 26942 1 46 42 SER . 26942 1 47 43 VAL . 26942 1 48 44 GLU . 26942 1 49 45 LEU . 26942 1 50 46 ILE . 26942 1 51 47 GLY . 26942 1 52 48 PHE . 26942 1 53 49 GLY . 26942 1 54 50 LYS . 26942 1 55 51 PHE . 26942 1 56 52 GLU . 26942 1 57 53 THR . 26942 1 58 54 ALA . 26942 1 59 55 GLU . 26942 1 60 56 GLN . 26942 1 61 57 LYS . 26942 1 62 58 GLY . 26942 1 63 59 LYS . 26942 1 64 60 GLU . 26942 1 65 61 GLY . 26942 1 66 62 LYS . 26942 1 67 63 VAL . 26942 1 68 64 PRO . 26942 1 69 65 GLY . 26942 1 70 66 SER . 26942 1 71 67 ASP . 26942 1 72 68 LYS . 26942 1 73 69 THR . 26942 1 74 70 TYR . 26942 1 75 71 LYS . 26942 1 76 72 THR . 26942 1 77 73 GLU . 26942 1 78 74 ASP . 26942 1 79 75 LYS . 26942 1 80 76 ARG . 26942 1 81 77 VAL . 26942 1 82 78 PRO . 26942 1 83 79 LYS . 26942 1 84 80 PHE . 26942 1 85 81 LYS . 26942 1 86 82 PRO . 26942 1 87 83 GLY . 26942 1 88 84 LYS . 26942 1 89 85 THR . 26942 1 90 86 LEU . 26942 1 91 87 LYS . 26942 1 92 88 GLN . 26942 1 93 89 LYS . 26942 1 94 90 VAL . 26942 1 95 91 GLU . 26942 1 96 92 GLU . 26942 1 97 93 GLY . 26942 1 98 94 LYS . 26942 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26942 1 . ALA 2 2 26942 1 . MET 3 3 26942 1 . GLU 4 4 26942 1 . MET 5 5 26942 1 . ASN 6 6 26942 1 . LYS 7 7 26942 1 . ALA 8 8 26942 1 . GLU 9 9 26942 1 . PHE 10 10 26942 1 . ILE 11 11 26942 1 . ASP 12 12 26942 1 . LEU 13 13 26942 1 . VAL 14 14 26942 1 . LYS 15 15 26942 1 . GLU 16 16 26942 1 . ALA 17 17 26942 1 . GLY 18 18 26942 1 . LYS 19 19 26942 1 . TYR 20 20 26942 1 . ASN 21 21 26942 1 . SER 22 22 26942 1 . LYS 23 23 26942 1 . ARG 24 24 26942 1 . GLU 25 25 26942 1 . ALA 26 26 26942 1 . GLU 27 27 26942 1 . GLU 28 28 26942 1 . ALA 29 29 26942 1 . ILE 30 30 26942 1 . SER 31 31 26942 1 . ALA 32 32 26942 1 . PHE 33 33 26942 1 . THR 34 34 26942 1 . LEU 35 35 26942 1 . ALA 36 36 26942 1 . VAL 37 37 26942 1 . GLU 38 38 26942 1 . THR 39 39 26942 1 . ALA 40 40 26942 1 . LEU 41 41 26942 1 . SER 42 42 26942 1 . LYS 43 43 26942 1 . GLY 44 44 26942 1 . GLU 45 45 26942 1 . SER 46 46 26942 1 . VAL 47 47 26942 1 . GLU 48 48 26942 1 . LEU 49 49 26942 1 . ILE 50 50 26942 1 . GLY 51 51 26942 1 . PHE 52 52 26942 1 . GLY 53 53 26942 1 . LYS 54 54 26942 1 . PHE 55 55 26942 1 . GLU 56 56 26942 1 . THR 57 57 26942 1 . ALA 58 58 26942 1 . GLU 59 59 26942 1 . GLN 60 60 26942 1 . LYS 61 61 26942 1 . GLY 62 62 26942 1 . LYS 63 63 26942 1 . GLU 64 64 26942 1 . GLY 65 65 26942 1 . LYS 66 66 26942 1 . VAL 67 67 26942 1 . PRO 68 68 26942 1 . GLY 69 69 26942 1 . SER 70 70 26942 1 . ASP 71 71 26942 1 . LYS 72 72 26942 1 . THR 73 73 26942 1 . TYR 74 74 26942 1 . LYS 75 75 26942 1 . THR 76 76 26942 1 . GLU 77 77 26942 1 . ASP 78 78 26942 1 . LYS 79 79 26942 1 . ARG 80 80 26942 1 . VAL 81 81 26942 1 . PRO 82 82 26942 1 . LYS 83 83 26942 1 . PHE 84 84 26942 1 . LYS 85 85 26942 1 . PRO 86 86 26942 1 . GLY 87 87 26942 1 . LYS 88 88 26942 1 . THR 89 89 26942 1 . LEU 90 90 26942 1 . LYS 91 91 26942 1 . GLN 92 92 26942 1 . LYS 93 93 26942 1 . VAL 94 94 26942 1 . GLU 95 95 26942 1 . GLU 96 96 26942 1 . GLY 97 97 26942 1 . LYS 98 98 26942 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 26942 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Hup . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Bacteria . Helicobacter pylori 'ATCC 700392' 26695 . . . . . . . . . Hup ; Gene hup HP coding for the DNA binding protein HU has been derived from genomic DNA of Helicobacter pylori (strain ATCC 700392 / 26695) ; 26942 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 26942 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Hup . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pQE80L . . 'Plasmid pQE80L containing the Hup gene was transformed in BL21 (DE3) E. coli competent cells for expression.' 26942 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26942 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sodium Phosphate Buffer of strength 50 mM containing 300 mM NaCl salt at pH 6.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Hup '[U-99% 13C; U-99% 15N]' . . 1 $Hup . . 1 . . mM . . . . 26942 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26942 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26942 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26942 1 5 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 26942 1 6 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26942 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26942 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The high salinity of the sample may have contributed to overheating of the sample during experiments with long saturation periods like the TOCSY experiments. ; 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' 0.079 . M 26942 1 pH 6.0 . pH 26942 1 pressure 1 . atm 26942 1 temperature 298 . K 26942 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26942 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; The high salinity of the sample may have contributed to overheating of the sample during experiments with long saturation periods like the TOCSY experiments. ; 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' 0.079 . M 26942 2 pH 6.0 . pH 26942 2 pressure 1 . atm 26942 2 temperature 310 . K 26942 2 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26942 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details ; CARA (Computer Aided Resonance Assignment) is a freely available software (developed in Professor Kurt Wuthrich's group) for the analysis of NMR spectra and is particularly suited for protein resonance assignment. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Freely Available' "Professor Kurt Wuthrich's group, ETH Zurich" http://www.cara.nmr-software.org/download/CARA_1.9.1.7_win32.gz 26942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26942 1 'data analysis' 26942 1 'structure solution' 26942 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26942 _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 Bruker Avance . 800 'Equipped with Cryoprobe' . . 26942 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 26942 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 9 HNN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 10 hNCAnH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 11 HN(CA)CO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 12 IntraHNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 13 NNH-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26942 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26942 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this online application tool, the chemical shifts may be deviated from the reference database shifts as per the following: CO: -0.11ppm CA: -0.37ppm CB: -0.33ppm N: -0.23ppm ; 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'Indirectly Referenced' 'methyl carbon' . . . . ppm 0 na indirect 0.25144953 . . . . . 26942 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26942 1 N 15 'Indirectly referenced' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 26942 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.35 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 PANAV _Assigned_chem_shift_list.Details 'Probabilistic Approach to NMR Assignment and Validation (Online Application tool)' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26942 1 2 '3D CBCA(CO)NH' . . . 26942 1 3 '3D C(CO)NH' . . . 26942 1 4 '3D HNCO' . . . 26942 1 5 '3D HNCA' . . . 26942 1 6 '3D HNCACB' . . . 26942 1 7 '3D 1H-15N NOESY' . . . 26942 1 8 '3D 1H-15N TOCSY' . . . 26942 1 9 HNN . . . 26942 1 10 hNCAnH . . . 26942 1 11 HN(CA)CO . . . 26942 1 12 IntraHNCA . . . 26942 1 13 NNH-NOESY . . . 26942 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 26942 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.Ambiguity_set_ID _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 11 11 ILE H H 1 8.518 0.020 . 1 . . . . . 7 ILE H . 26942 1 2 . 1 1 11 11 ILE C C 13 177.789 0.3 . 1 . . . . . 7 ILE C . 26942 1 3 . 1 1 11 11 ILE CA C 13 66.077 0.3 . 1 . . . . . 7 ILE CA . 26942 1 4 . 1 1 11 11 ILE CB C 13 30.314 0.3 . 1 . . . . . 7 ILE CB . 26942 1 5 . 1 1 11 11 ILE N N 15 117.553 0.3 . 1 . . . . . 7 ILE N . 26942 1 6 . 1 1 12 12 ASP H H 1 7.493 0.020 . 1 . . . . . 8 ASP H . 26942 1 7 . 1 1 12 12 ASP C C 13 178.920 0.3 . 1 . . . . . 8 ASP C . 26942 1 8 . 1 1 12 12 ASP CA C 13 57.504 0.3 . 1 . . . . . 8 ASP CA . 26942 1 9 . 1 1 12 12 ASP CB C 13 40.078 0.3 . 1 . . . . . 8 ASP CB . 26942 1 10 . 1 1 12 12 ASP N N 15 118.737 0.3 . 1 . . . . . 8 ASP N . 26942 1 11 . 1 1 13 13 LEU H H 1 7.702 0.020 . 1 . . . . . 9 LEU H . 26942 1 12 . 1 1 13 13 LEU C C 13 179.946 0.3 . 1 . . . . . 9 LEU C . 26942 1 13 . 1 1 13 13 LEU CA C 13 57.855 0.3 . 1 . . . . . 9 LEU CA . 26942 1 14 . 1 1 13 13 LEU CB C 13 42.470 0.3 . 1 . . . . . 9 LEU CB . 26942 1 15 . 1 1 13 13 LEU N N 15 122.233 0.3 . 1 . . . . . 9 LEU N . 26942 1 16 . 1 1 14 14 VAL H H 1 7.994 0.020 . 1 . . . . . 10 VAL H . 26942 1 17 . 1 1 14 14 VAL C C 13 177.789 0.3 . 1 . . . . . 10 VAL C . 26942 1 18 . 1 1 14 14 VAL CA C 13 66.734 0.3 . 1 . . . . . 10 VAL CA . 26942 1 19 . 1 1 14 14 VAL CB C 13 31.311 0.3 . 1 . . . . . 10 VAL CB . 26942 1 20 . 1 1 14 14 VAL N N 15 122.023 0.3 . 1 . . . . . 10 VAL N . 26942 1 21 . 1 1 15 15 LYS H H 1 8.631 0.020 . 1 . . . . . 11 LYS H . 26942 1 22 . 1 1 15 15 LYS C C 13 178.514 0.3 . 1 . . . . . 11 LYS C . 26942 1 23 . 1 1 15 15 LYS CA C 13 60.550 0.3 . 1 . . . . . 11 LYS CA . 26942 1 24 . 1 1 15 15 LYS CB C 13 32.905 0.3 . 1 . . . . . 11 LYS CB . 26942 1 25 . 1 1 15 15 LYS N N 15 120.684 0.3 . 1 . . . . . 11 LYS N . 26942 1 26 . 1 1 16 16 GLU H H 1 7.939 0.020 . 1 . . . . . 12 GLU H . 26942 1 27 . 1 1 16 16 GLU C C 13 179.857 0.3 . 1 . . . . . 12 GLU C . 26942 1 28 . 1 1 16 16 GLU CA C 13 58.769 0.3 . 1 . . . . . 12 GLU CA . 26942 1 29 . 1 1 16 16 GLU CB C 13 29.584 0.3 . 1 . . . . . 12 GLU CB . 26942 1 30 . 1 1 16 16 GLU N N 15 117.527 0.3 . 1 . . . . . 12 GLU N . 26942 1 31 . 1 1 17 17 ALA H H 1 8.550 0.020 . 1 . . . . . 13 ALA H . 26942 1 32 . 1 1 17 17 ALA C C 13 180.034 0.3 . 1 . . . . . 13 ALA C . 26942 1 33 . 1 1 17 17 ALA CA C 13 54.927 0.3 . 1 . . . . . 13 ALA CA . 26942 1 34 . 1 1 17 17 ALA CB C 13 19.289 0.3 . 1 . . . . . 13 ALA CB . 26942 1 35 . 1 1 17 17 ALA N N 15 123.079 0.3 . 1 . . . . . 13 ALA N . 26942 1 36 . 1 1 18 18 GLY H H 1 8.262 0.020 . 1 . . . . . 14 GLY H . 26942 1 37 . 1 1 18 18 GLY C C 13 172.273 0.3 . 1 . . . . . 14 GLY C . 26942 1 38 . 1 1 18 18 GLY CA C 13 44.455 0.3 . 1 . . . . . 14 GLY CA . 26942 1 39 . 1 1 18 18 GLY N N 15 102.637 0.3 . 1 . . . . . 14 GLY N . 26942 1 40 . 1 1 19 19 LYS H H 1 7.417 0.020 . 1 . . . . . 15 LYS H . 26942 1 41 . 1 1 19 19 LYS C C 13 176.781 0.3 . 1 . . . . . 15 LYS C . 26942 1 42 . 1 1 19 19 LYS CA C 13 56.684 0.3 . 1 . . . . . 15 LYS CA . 26942 1 43 . 1 1 19 19 LYS CB C 13 28.853 0.3 . 1 . . . . . 15 LYS CB . 26942 1 44 . 1 1 19 19 LYS N N 15 116.814 0.3 . 1 . . . . . 15 LYS N . 26942 1 45 . 1 1 20 20 TYR H H 1 8.129 0.020 . 1 . . . . . 16 TYR H . 26942 1 46 . 1 1 20 20 TYR C C 13 177.311 0.3 . 1 . . . . . 16 TYR C . 26942 1 47 . 1 1 20 20 TYR CA C 13 57.809 0.3 . 1 . . . . . 16 TYR CA . 26942 1 48 . 1 1 20 20 TYR CB C 13 39.414 0.3 . 1 . . . . . 16 TYR CB . 26942 1 49 . 1 1 20 20 TYR N N 15 116.655 0.3 . 1 . . . . . 16 TYR N . 26942 1 50 . 1 1 21 21 ASN H H 1 9.256 0.020 . 1 . . . . . 17 ASN H . 26942 1 51 . 1 1 21 21 ASN C C 13 175.402 0.3 . 1 . . . . . 17 ASN C . 26942 1 52 . 1 1 21 21 ASN CA C 13 54.576 0.3 . 1 . . . . . 17 ASN CA . 26942 1 53 . 1 1 21 21 ASN CB C 13 39.680 0.3 . 1 . . . . . 17 ASN CB . 26942 1 54 . 1 1 21 21 ASN N N 15 117.929 0.3 . 1 . . . . . 17 ASN N . 26942 1 55 . 1 1 22 22 SER H H 1 7.660 0.020 . 1 . . . . . 18 SER H . 26942 1 56 . 1 1 22 22 SER C C 13 174.041 0.3 . 1 . . . . . 18 SER C . 26942 1 57 . 1 1 22 22 SER CA C 13 56.450 0.3 . 1 . . . . . 18 SER CA . 26942 1 58 . 1 1 22 22 SER CB C 13 67.112 0.3 . 1 . . . . . 18 SER CB . 26942 1 59 . 1 1 22 22 SER N N 15 110.689 0.3 . 1 . . . . . 18 SER N . 26942 1 60 . 1 1 23 23 LYS H H 1 8.826 0.020 . 1 . . . . . 19 LYS H . 26942 1 61 . 1 1 23 23 LYS C C 13 178.337 0.3 . 1 . . . . . 19 LYS C . 26942 1 62 . 1 1 23 23 LYS CA C 13 60.104 0.3 . 1 . . . . . 19 LYS CA . 26942 1 63 . 1 1 23 23 LYS CB C 13 32.307 0.3 . 1 . . . . . 19 LYS CB . 26942 1 64 . 1 1 23 23 LYS N N 15 122.248 0.3 . 1 . . . . . 19 LYS N . 26942 1 65 . 1 1 24 24 ARG H H 1 8.194 0.020 . 1 . . . . . 20 ARG H . 26942 1 66 . 1 1 24 24 ARG C C 13 178.461 0.3 . 1 . . . . . 20 ARG C . 26942 1 67 . 1 1 24 24 ARG CA C 13 59.128 0.3 . 1 . . . . . 20 ARG CA . 26942 1 68 . 1 1 24 24 ARG CB C 13 29.252 0.3 . 1 . . . . . 20 ARG CB . 26942 1 69 . 1 1 24 24 ARG N N 15 119.463 0.3 . 1 . . . . . 20 ARG N . 26942 1 70 . 1 1 25 25 GLU H H 1 7.546 0.020 . 1 . . . . . 21 GLU H . 26942 1 71 . 1 1 25 25 GLU C C 13 179.115 0.3 . 1 . . . . . 21 GLU C . 26942 1 72 . 1 1 25 25 GLU CA C 13 59.250 0.3 . 1 . . . . . 21 GLU CA . 26942 1 73 . 1 1 25 25 GLU CB C 13 30.115 0.3 . 1 . . . . . 21 GLU CB . 26942 1 74 . 1 1 25 25 GLU N N 15 117.351 0.3 . 1 . . . . . 21 GLU N . 26942 1 75 . 1 1 26 26 ALA H H 1 6.829 0.020 . 1 . . . . . 22 ALA H . 26942 1 76 . 1 1 26 26 ALA C C 13 178.461 0.3 . 1 . . . . . 22 ALA C . 26942 1 77 . 1 1 26 26 ALA CA C 13 54.716 0.3 . 1 . . . . . 22 ALA CA . 26942 1 78 . 1 1 26 26 ALA CB C 13 19.089 0.3 . 1 . . . . . 22 ALA CB . 26942 1 79 . 1 1 26 26 ALA N N 15 121.568 0.3 . 1 . . . . . 22 ALA N . 26942 1 80 . 1 1 27 27 GLU H H 1 8.483 0.020 . 1 . . . . . 23 GLU H . 26942 1 81 . 1 1 27 27 GLU C C 13 179.928 0.3 . 1 . . . . . 23 GLU C . 26942 1 82 . 1 1 27 27 GLU CA C 13 60.339 0.3 . 1 . . . . . 23 GLU CA . 26942 1 83 . 1 1 27 27 GLU CB C 13 29.517 0.3 . 1 . . . . . 23 GLU CB . 26942 1 84 . 1 1 27 27 GLU N N 15 118.255 0.3 . 1 . . . . . 23 GLU N . 26942 1 85 . 1 1 28 28 GLU H H 1 8.328 0.020 . 1 . . . . . 24 GLU H . 26942 1 86 . 1 1 28 28 GLU C C 13 178.407 0.3 . 1 . . . . . 24 GLU C . 26942 1 87 . 1 1 28 28 GLU CA C 13 59.003 0.3 . 1 . . . . . 24 GLU CA . 26942 1 88 . 1 1 28 28 GLU CB C 13 28.720 0.3 . 1 . . . . . 24 GLU CB . 26942 1 89 . 1 1 28 28 GLU N N 15 119.184 0.3 . 1 . . . . . 24 GLU N . 26942 1 90 . 1 1 29 29 ALA H H 1 7.371 0.020 . 1 . . . . . 25 ALA H . 26942 1 91 . 1 1 29 29 ALA C C 13 179.857 0.3 . 1 . . . . . 25 ALA C . 26942 1 92 . 1 1 29 29 ALA CA C 13 55.442 0.3 . 1 . . . . . 25 ALA CA . 26942 1 93 . 1 1 29 29 ALA CB C 13 17.761 0.3 . 1 . . . . . 25 ALA CB . 26942 1 94 . 1 1 29 29 ALA N N 15 123.311 0.3 . 1 . . . . . 25 ALA N . 26942 1 95 . 1 1 30 30 ILE H H 1 7.671 0.020 . 1 . . . . . 26 ILE H . 26942 1 96 . 1 1 30 30 ILE C C 13 179.256 0.3 . 1 . . . . . 26 ILE C . 26942 1 97 . 1 1 30 30 ILE CA C 13 66.032 0.3 . 1 . . . . . 26 ILE CA . 26942 1 98 . 1 1 30 30 ILE CB C 13 38.816 0.3 . 1 . . . . . 26 ILE CB . 26942 1 99 . 1 1 30 30 ILE N N 15 116.628 0.3 . 1 . . . . . 26 ILE N . 26942 1 100 . 1 1 31 31 SER H H 1 8.211 0.020 . 1 . . . . . 27 SER H . 26942 1 101 . 1 1 31 31 SER C C 13 175.066 0.3 . 1 . . . . . 27 SER C . 26942 1 102 . 1 1 31 31 SER CA C 13 61.861 0.3 . 1 . . . . . 27 SER CA . 26942 1 103 . 1 1 31 31 SER CB C 13 70.034 0.3 . 1 . . . . . 27 SER CB . 26942 1 104 . 1 1 31 31 SER N N 15 116.252 0.3 . 1 . . . . . 27 SER N . 26942 1 105 . 1 1 32 32 ALA H H 1 8.488 0.020 . 1 . . . . . 28 ALA H . 26942 1 106 . 1 1 32 32 ALA C C 13 178.726 0.3 . 1 . . . . . 28 ALA C . 26942 1 107 . 1 1 32 32 ALA CA C 13 55.021 0.3 . 1 . . . . . 28 ALA CA . 26942 1 108 . 1 1 32 32 ALA CB C 13 18.890 0.3 . 1 . . . . . 28 ALA CB . 26942 1 109 . 1 1 32 32 ALA N N 15 122.446 0.3 . 1 . . . . . 28 ALA N . 26942 1 110 . 1 1 33 33 PHE H H 1 8.134 0.020 . 1 . . . . . 29 PHE H . 26942 1 111 . 1 1 33 33 PHE C C 13 176.993 0.3 . 1 . . . . . 29 PHE C . 26942 1 112 . 1 1 33 33 PHE CA C 13 62.869 0.3 . 1 . . . . . 29 PHE CA . 26942 1 113 . 1 1 33 33 PHE CB C 13 39.946 0.3 . 1 . . . . . 29 PHE CB . 26942 1 114 . 1 1 33 33 PHE N N 15 115.681 0.3 . 1 . . . . . 29 PHE N . 26942 1 115 . 1 1 34 34 THR H H 1 7.858 0.020 . 1 . . . . . 30 THR H . 26942 1 116 . 1 1 34 34 THR C C 13 177.258 0.3 . 1 . . . . . 30 THR C . 26942 1 117 . 1 1 34 34 THR CA C 13 64.579 0.3 . 1 . . . . . 30 THR CA . 26942 1 118 . 1 1 34 34 THR N N 15 107.253 0.3 . 1 . . . . . 30 THR N . 26942 1 119 . 1 1 35 35 LEU H H 1 8.179 0.020 . 1 . . . . . 31 LEU H . 26942 1 120 . 1 1 35 35 LEU C C 13 180.564 0.3 . 1 . . . . . 31 LEU C . 26942 1 121 . 1 1 35 35 LEU CA C 13 57.809 0.3 . 1 . . . . . 31 LEU CA . 26942 1 122 . 1 1 35 35 LEU CB C 13 41.274 0.3 . 1 . . . . . 31 LEU CB . 26942 1 123 . 1 1 35 35 LEU N N 15 123.021 0.3 . 1 . . . . . 31 LEU N . 26942 1 124 . 1 1 36 36 ALA H H 1 7.895 0.020 . 1 . . . . . 32 ALA H . 26942 1 125 . 1 1 36 36 ALA C C 13 179.398 0.3 . 1 . . . . . 32 ALA C . 26942 1 126 . 1 1 36 36 ALA CA C 13 56.028 0.3 . 1 . . . . . 32 ALA CA . 26942 1 127 . 1 1 36 36 ALA CB C 13 20.418 0.3 . 1 . . . . . 32 ALA CB . 26942 1 128 . 1 1 36 36 ALA N N 15 123.631 0.3 . 1 . . . . . 32 ALA N . 26942 1 129 . 1 1 37 37 VAL H H 1 7.899 0.020 . 1 . . . . . 33 VAL H . 26942 1 130 . 1 1 37 37 VAL C C 13 177.753 0.3 . 1 . . . . . 33 VAL C . 26942 1 131 . 1 1 37 37 VAL CA C 13 67.906 0.3 . 1 . . . . . 33 VAL CA . 26942 1 132 . 1 1 37 37 VAL CB C 13 28.853 0.3 . 1 . . . . . 33 VAL CB . 26942 1 133 . 1 1 37 37 VAL N N 15 117.397 0.3 . 1 . . . . . 33 VAL N . 26942 1 134 . 1 1 38 38 GLU H H 1 8.133 0.020 . 1 . . . . . 34 GLU H . 26942 1 135 . 1 1 38 38 GLU C C 13 178.301 0.3 . 1 . . . . . 34 GLU C . 26942 1 136 . 1 1 38 38 GLU CA C 13 59.730 0.3 . 1 . . . . . 34 GLU CA . 26942 1 137 . 1 1 38 38 GLU CB C 13 28.588 0.3 . 1 . . . . . 34 GLU CB . 26942 1 138 . 1 1 38 38 GLU N N 15 116.531 0.3 . 1 . . . . . 34 GLU N . 26942 1 139 . 1 1 39 39 THR H H 1 8.474 0.020 . 1 . . . . . 35 THR H . 26942 1 140 . 1 1 39 39 THR C C 13 176.215 0.3 . 1 . . . . . 35 THR C . 26942 1 141 . 1 1 39 39 THR CA C 13 67.015 0.3 . 1 . . . . . 35 THR CA . 26942 1 142 . 1 1 39 39 THR CB C 13 68.573 0.3 . 1 . . . . . 35 THR CB . 26942 1 143 . 1 1 39 39 THR N N 15 116.390 0.3 . 1 . . . . . 35 THR N . 26942 1 144 . 1 1 40 40 ALA H H 1 8.475 0.020 . 1 . . . . . 36 ALA H . 26942 1 145 . 1 1 40 40 ALA C C 13 179.663 0.3 . 1 . . . . . 36 ALA C . 26942 1 146 . 1 1 40 40 ALA CA C 13 56.098 0.3 . 1 . . . . . 36 ALA CA . 26942 1 147 . 1 1 40 40 ALA CB C 13 18.492 0.3 . 1 . . . . . 36 ALA CB . 26942 1 148 . 1 1 40 40 ALA N N 15 124.970 0.3 . 1 . . . . . 36 ALA N . 26942 1 149 . 1 1 41 41 LEU H H 1 8.364 0.020 . 1 . . . . . 37 LEU H . 26942 1 150 . 1 1 41 41 LEU C C 13 181.696 0.3 . 1 . . . . . 37 LEU C . 26942 1 151 . 1 1 41 41 LEU CA C 13 58.136 0.3 . 1 . . . . . 37 LEU CA . 26942 1 152 . 1 1 41 41 LEU CB C 13 42.536 0.3 . 1 . . . . . 37 LEU CB . 26942 1 153 . 1 1 41 41 LEU N N 15 115.769 0.3 . 1 . . . . . 37 LEU N . 26942 1 154 . 1 1 42 42 SER H H 1 8.190 0.020 . 1 . . . . . 38 SER H . 26942 1 155 . 1 1 42 42 SER C C 13 174.995 0.3 . 1 . . . . . 38 SER C . 26942 1 156 . 1 1 42 42 SER CA C 13 61.979 0.3 . 1 . . . . . 38 SER CA . 26942 1 157 . 1 1 42 42 SER CB C 13 64.654 0.3 . 1 . . . . . 38 SER CB . 26942 1 158 . 1 1 42 42 SER N N 15 116.837 0.3 . 1 . . . . . 38 SER N . 26942 1 159 . 1 1 43 43 LYS H H 1 7.218 0.020 . 1 . . . . . 39 LYS H . 26942 1 160 . 1 1 43 43 LYS C C 13 176.958 0.3 . 1 . . . . . 39 LYS C . 26942 1 161 . 1 1 43 43 LYS CA C 13 55.934 0.3 . 1 . . . . . 39 LYS CA . 26942 1 162 . 1 1 43 43 LYS CB C 13 32.639 0.3 . 1 . . . . . 39 LYS CB . 26942 1 163 . 1 1 43 43 LYS N N 15 119.266 0.3 . 1 . . . . . 39 LYS N . 26942 1 164 . 1 1 44 44 GLY H H 1 7.930 0.020 . 1 . . . . . 40 GLY H . 26942 1 165 . 1 1 44 44 GLY C C 13 174.518 0.3 . 1 . . . . . 40 GLY C . 26942 1 166 . 1 1 44 44 GLY CA C 13 45.790 0.3 . 1 . . . . . 40 GLY CA . 26942 1 167 . 1 1 44 44 GLY N N 15 107.527 0.3 . 1 . . . . . 40 GLY N . 26942 1 168 . 1 1 45 45 GLU H H 1 7.725 0.020 . 1 . . . . . 41 GLU H . 26942 1 169 . 1 1 45 45 GLU C C 13 174.306 0.3 . 1 . . . . . 41 GLU C . 26942 1 170 . 1 1 45 45 GLU CA C 13 54.740 0.3 . 1 . . . . . 41 GLU CA . 26942 1 171 . 1 1 45 45 GLU CB C 13 30.381 0.3 . 1 . . . . . 41 GLU CB . 26942 1 172 . 1 1 45 45 GLU N N 15 119.671 0.3 . 1 . . . . . 41 GLU N . 26942 1 173 . 1 1 46 46 SER H H 1 8.186 0.020 . 1 . . . . . 42 SER H . 26942 1 174 . 1 1 46 46 SER C C 13 173.705 0.3 . 1 . . . . . 42 SER C . 26942 1 175 . 1 1 46 46 SER CA C 13 57.119 0.3 . 1 . . . . . 42 SER CA . 26942 1 176 . 1 1 46 46 SER CB C 13 65.783 0.3 . 1 . . . . . 42 SER CB . 26942 1 177 . 1 1 46 46 SER N N 15 113.593 0.3 . 1 . . . . . 42 SER N . 26942 1 178 . 1 1 47 47 VAL H H 1 8.751 0.020 . 1 . . . . . 43 VAL H . 26942 1 179 . 1 1 47 47 VAL C C 13 173.934 0.3 . 1 . . . . . 43 VAL C . 26942 1 180 . 1 1 47 47 VAL CA C 13 61.510 0.3 . 1 . . . . . 43 VAL CA . 26942 1 181 . 1 1 47 47 VAL CB C 13 35.429 0.3 . 1 . . . . . 43 VAL CB . 26942 1 182 . 1 1 47 47 VAL N N 15 119.831 0.3 . 1 . . . . . 43 VAL N . 26942 1 183 . 1 1 48 48 GLU H H 1 8.939 0.020 . 1 . . . . . 44 GLU H . 26942 1 184 . 1 1 48 48 GLU C C 13 174.447 0.3 . 1 . . . . . 44 GLU C . 26942 1 185 . 1 1 48 48 GLU CA C 13 55.372 0.3 . 1 . . . . . 44 GLU CA . 26942 1 186 . 1 1 48 48 GLU CB C 13 31.643 0.3 . 1 . . . . . 44 GLU CB . 26942 1 187 . 1 1 48 48 GLU N N 15 128.697 0.3 . 1 . . . . . 44 GLU N . 26942 1 188 . 1 1 49 49 LEU H H 1 8.768 0.020 . 1 . . . . . 45 LEU H . 26942 1 189 . 1 1 49 49 LEU C C 13 176.516 0.3 . 1 . . . . . 45 LEU C . 26942 1 190 . 1 1 49 49 LEU CA C 13 52.655 0.3 . 1 . . . . . 45 LEU CA . 26942 1 191 . 1 1 49 49 LEU CB C 13 41.739 0.3 . 1 . . . . . 45 LEU CB . 26942 1 192 . 1 1 49 49 LEU N N 15 129.817 0.3 . 1 . . . . . 45 LEU N . 26942 1 193 . 1 1 50 50 ILE H H 1 8.768 0.020 . 1 . . . . . 46 ILE H . 26942 1 194 . 1 1 50 50 ILE C C 13 177.593 0.3 . 1 . . . . . 46 ILE C . 26942 1 195 . 1 1 50 50 ILE CA C 13 64.040 0.3 . 1 . . . . . 46 ILE CA . 26942 1 196 . 1 1 50 50 ILE CB C 13 36.890 0.3 . 1 . . . . . 46 ILE CB . 26942 1 197 . 1 1 50 50 ILE N N 15 126.041 0.3 . 1 . . . . . 46 ILE N . 26942 1 198 . 1 1 51 51 GLY H H 1 9.030 0.020 . 1 . . . . . 47 GLY H . 26942 1 199 . 1 1 51 51 GLY C C 13 176.728 0.3 . 1 . . . . . 47 GLY C . 26942 1 200 . 1 1 51 51 GLY CA C 13 46.563 0.3 . 1 . . . . . 47 GLY CA . 26942 1 201 . 1 1 51 51 GLY N N 15 119.092 0.3 . 1 . . . . . 47 GLY N . 26942 1 202 . 1 1 52 52 PHE H H 1 8.203 0.020 . 1 . . . . . 48 PHE H . 26942 1 203 . 1 1 52 52 PHE C C 13 175.349 0.3 . 1 . . . . . 48 PHE C . 26942 1 204 . 1 1 52 52 PHE CA C 13 60.432 0.3 . 1 . . . . . 48 PHE CA . 26942 1 205 . 1 1 52 52 PHE CB C 13 39.613 0.3 . 1 . . . . . 48 PHE CB . 26942 1 206 . 1 1 52 52 PHE N N 15 123.304 0.3 . 1 . . . . . 48 PHE N . 26942 1 207 . 1 1 53 53 GLY H H 1 8.571 0.020 . 1 . . . . . 49 GLY H . 26942 1 208 . 1 1 53 53 GLY C C 13 167.273 0.3 . 1 . . . . . 49 GLY C . 26942 1 209 . 1 1 53 53 GLY CA C 13 45.603 0.3 . 1 . . . . . 49 GLY CA . 26942 1 210 . 1 1 53 53 GLY N N 15 105.298 0.3 . 1 . . . . . 49 GLY N . 26942 1 211 . 1 1 54 54 LYS H H 1 7.570 0.020 . 1 . . . . . 50 LYS H . 26942 1 212 . 1 1 54 54 LYS C C 13 175.526 0.3 . 1 . . . . . 50 LYS C . 26942 1 213 . 1 1 54 54 LYS CA C 13 53.568 0.3 . 1 . . . . . 50 LYS CA . 26942 1 214 . 1 1 54 54 LYS CB C 13 37.289 0.3 . 1 . . . . . 50 LYS CB . 26942 1 215 . 1 1 54 54 LYS N N 15 118.597 0.3 . 1 . . . . . 50 LYS N . 26942 1 216 . 1 1 55 55 PHE H H 1 9.292 0.020 . 1 . . . . . 51 PHE H . 26942 1 217 . 1 1 55 55 PHE C C 13 174.429 0.3 . 1 . . . . . 51 PHE C . 26942 1 218 . 1 1 55 55 PHE CA C 13 57.012 0.3 . 1 . . . . . 51 PHE CA . 26942 1 219 . 1 1 55 55 PHE CB C 13 41.938 0.3 . 1 . . . . . 51 PHE CB . 26942 1 220 . 1 1 55 55 PHE N N 15 124.357 0.3 . 1 . . . . . 51 PHE N . 26942 1 221 . 1 1 56 56 GLU H H 1 9.196 0.020 . 1 . . . . . 52 GLU H . 26942 1 222 . 1 1 56 56 GLU C C 13 173.881 0.3 . 1 . . . . . 52 GLU C . 26942 1 223 . 1 1 56 56 GLU CA C 13 54.365 0.3 . 1 . . . . . 52 GLU CA . 26942 1 224 . 1 1 56 56 GLU CB C 13 29.650 0.3 . 1 . . . . . 52 GLU CB . 26942 1 225 . 1 1 56 56 GLU N N 15 119.913 0.3 . 1 . . . . . 52 GLU N . 26942 1 226 . 1 1 57 57 THR H H 1 8.209 0.020 . 1 . . . . . 53 THR H . 26942 1 227 . 1 1 57 57 THR C C 13 173.793 0.3 . 1 . . . . . 53 THR C . 26942 1 228 . 1 1 57 57 THR CA C 13 60.292 0.3 . 1 . . . . . 53 THR CA . 26942 1 229 . 1 1 57 57 THR CB C 13 71.296 0.3 . 1 . . . . . 53 THR CB . 26942 1 230 . 1 1 57 57 THR N N 15 110.237 0.3 . 1 . . . . . 53 THR N . 26942 1 231 . 1 1 58 58 ALA H H 1 8.845 0.020 . 1 . . . . . 54 ALA H . 26942 1 232 . 1 1 58 58 ALA C C 13 175.915 0.3 . 1 . . . . . 54 ALA C . 26942 1 233 . 1 1 58 58 ALA CA C 13 50.733 0.3 . 1 . . . . . 54 ALA CA . 26942 1 234 . 1 1 58 58 ALA CB C 13 22.344 0.3 . 1 . . . . . 54 ALA CB . 26942 1 235 . 1 1 58 58 ALA N N 15 124.383 0.3 . 1 . . . . . 54 ALA N . 26942 1 236 . 1 1 59 59 GLU H H 1 8.502 0.020 . 1 . . . . . 55 GLU H . 26942 1 237 . 1 1 59 59 GLU C C 13 176.251 0.3 . 1 . . . . . 55 GLU C . 26942 1 238 . 1 1 59 59 GLU CA C 13 55.817 0.3 . 1 . . . . . 55 GLU CA . 26942 1 239 . 1 1 59 59 GLU CB C 13 30.647 0.3 . 1 . . . . . 55 GLU CB . 26942 1 240 . 1 1 59 59 GLU N N 15 120.175 0.3 . 1 . . . . . 55 GLU N . 26942 1 241 . 1 1 60 60 GLN H H 1 8.999 0.020 . 1 . . . . . 56 GLN H . 26942 1 242 . 1 1 60 60 GLN C C 13 175.349 0.3 . 1 . . . . . 56 GLN C . 26942 1 243 . 1 1 60 60 GLN CA C 13 55.021 0.3 . 1 . . . . . 56 GLN CA . 26942 1 244 . 1 1 60 60 GLN CB C 13 30.912 0.3 . 1 . . . . . 56 GLN CB . 26942 1 245 . 1 1 60 60 GLN N N 15 125.978 0.3 . 1 . . . . . 56 GLN N . 26942 1 246 . 1 1 61 61 LYS H H 1 8.567 0.020 . 1 . . . . . 57 LYS H . 26942 1 247 . 1 1 61 61 LYS C C 13 177.842 0.3 . 1 . . . . . 57 LYS C . 26942 1 248 . 1 1 61 61 LYS CA C 13 56.098 0.3 . 1 . . . . . 57 LYS CA . 26942 1 249 . 1 1 61 61 LYS CB C 13 32.905 0.3 . 1 . . . . . 57 LYS CB . 26942 1 250 . 1 1 61 61 LYS N N 15 126.296 0.3 . 1 . . . . . 57 LYS N . 26942 1 251 . 1 1 62 62 GLY H H 1 8.923 0.020 . 1 . . . . . 58 GLY H . 26942 1 252 . 1 1 62 62 GLY C C 13 173.722 0.3 . 1 . . . . . 58 GLY C . 26942 1 253 . 1 1 62 62 GLY CA C 13 45.205 0.3 . 1 . . . . . 58 GLY CA . 26942 1 254 . 1 1 62 62 GLY N N 15 111.369 0.3 . 1 . . . . . 58 GLY N . 26942 1 255 . 1 1 63 63 LYS H H 1 8.193 0.020 . 1 . . . . . 59 LYS H . 26942 1 256 . 1 1 63 63 LYS C C 13 176.215 0.3 . 1 . . . . . 59 LYS C . 26942 1 257 . 1 1 63 63 LYS CA C 13 55.747 0.3 . 1 . . . . . 59 LYS CA . 26942 1 258 . 1 1 63 63 LYS CB C 13 32.971 0.3 . 1 . . . . . 59 LYS CB . 26942 1 259 . 1 1 63 63 LYS N N 15 120.516 0.3 . 1 . . . . . 59 LYS N . 26942 1 260 . 1 1 64 64 GLU H H 1 8.410 0.020 . 1 . . . . . 60 GLU H . 26942 1 261 . 1 1 64 64 GLU C C 13 176.604 0.3 . 1 . . . . . 60 GLU C . 26942 1 262 . 1 1 64 64 GLU CA C 13 56.051 0.3 . 1 . . . . . 60 GLU CA . 26942 1 263 . 1 1 64 64 GLU CB C 13 30.979 0.3 . 1 . . . . . 60 GLU CB . 26942 1 264 . 1 1 64 64 GLU N N 15 121.508 0.3 . 1 . . . . . 60 GLU N . 26942 1 265 . 1 1 65 65 GLY H H 1 8.177 0.020 . 1 . . . . . 61 GLY H . 26942 1 266 . 1 1 65 65 GLY C C 13 172.803 0.3 . 1 . . . . . 61 GLY C . 26942 1 267 . 1 1 65 65 GLY CA C 13 44.877 0.3 . 1 . . . . . 61 GLY CA . 26942 1 268 . 1 1 65 65 GLY N N 15 110.515 0.3 . 1 . . . . . 61 GLY N . 26942 1 269 . 1 1 66 66 LYS H H 1 8.136 0.020 . 1 . . . . . 62 LYS H . 26942 1 270 . 1 1 66 66 LYS C C 13 176.887 0.3 . 1 . . . . . 62 LYS C . 26942 1 271 . 1 1 66 66 LYS CA C 13 55.700 0.3 . 1 . . . . . 62 LYS CA . 26942 1 272 . 1 1 66 66 LYS CB C 13 33.768 0.3 . 1 . . . . . 62 LYS CB . 26942 1 273 . 1 1 66 66 LYS N N 15 119.951 0.3 . 1 . . . . . 62 LYS N . 26942 1 274 . 1 1 67 67 VAL H H 1 8.416 0.020 . 1 . . . . . 63 VAL H . 26942 1 275 . 1 1 67 67 VAL C C 13 174.642 0.3 . 1 . . . . . 63 VAL C . 26942 1 276 . 1 1 67 67 VAL CA C 13 60.222 0.3 . 1 . . . . . 63 VAL CA . 26942 1 277 . 1 1 67 67 VAL CB C 13 31.909 0.3 . 1 . . . . . 63 VAL CB . 26942 1 278 . 1 1 67 67 VAL N N 15 124.793 0.3 . 1 . . . . . 63 VAL N . 26942 1 279 . 1 1 68 68 PRO CA C 13 63.993 0.3 . 1 . . . . . 64 PRO CA . 26942 1 280 . 1 1 68 68 PRO CB C 13 31.909 0.3 . 1 . . . . . 64 PRO CB . 26942 1 281 . 1 1 69 69 GLY H H 1 8.592 0.020 . 1 . . . . . 65 GLY H . 26942 1 282 . 1 1 69 69 GLY C C 13 174.306 0.3 . 1 . . . . . 65 GLY C . 26942 1 283 . 1 1 69 69 GLY CA C 13 45.556 0.3 . 1 . . . . . 65 GLY CA . 26942 1 284 . 1 1 69 69 GLY N N 15 110.959 0.3 . 1 . . . . . 65 GLY N . 26942 1 285 . 1 1 70 70 SER H H 1 7.992 0.020 . 1 . . . . . 66 SER H . 26942 1 286 . 1 1 70 70 SER C C 13 173.881 0.3 . 1 . . . . . 66 SER C . 26942 1 287 . 1 1 70 70 SER CA C 13 57.504 0.3 . 1 . . . . . 66 SER CA . 26942 1 288 . 1 1 70 70 SER CB C 13 64.986 0.3 . 1 . . . . . 66 SER CB . 26942 1 289 . 1 1 70 70 SER N N 15 114.758 0.3 . 1 . . . . . 66 SER N . 26942 1 290 . 1 1 71 71 ASP H H 1 8.363 0.020 . 1 . . . . . 67 ASP H . 26942 1 291 . 1 1 71 71 ASP C C 13 176.569 0.3 . 1 . . . . . 67 ASP C . 26942 1 292 . 1 1 71 71 ASP CA C 13 54.084 0.3 . 1 . . . . . 67 ASP CA . 26942 1 293 . 1 1 71 71 ASP CB C 13 41.075 0.3 . 1 . . . . . 67 ASP CB . 26942 1 294 . 1 1 71 71 ASP N N 15 120.964 0.3 . 1 . . . . . 67 ASP N . 26942 1 295 . 1 1 72 72 LYS H H 1 8.117 0.020 . 1 . . . . . 68 LYS H . 26942 1 296 . 1 1 72 72 LYS C C 13 176.480 0.3 . 1 . . . . . 68 LYS C . 26942 1 297 . 1 1 72 72 LYS CA C 13 56.426 0.3 . 1 . . . . . 68 LYS CA . 26942 1 298 . 1 1 72 72 LYS CB C 13 33.171 0.3 . 1 . . . . . 68 LYS CB . 26942 1 299 . 1 1 72 72 LYS N N 15 120.638 0.3 . 1 . . . . . 68 LYS N . 26942 1 300 . 1 1 73 73 THR H H 1 8.101 0.020 . 1 . . . . . 69 THR H . 26942 1 301 . 1 1 73 73 THR C C 13 174.394 0.3 . 1 . . . . . 69 THR C . 26942 1 302 . 1 1 73 73 THR CA C 13 61.510 0.3 . 1 . . . . . 69 THR CA . 26942 1 303 . 1 1 73 73 THR CB C 13 70.765 0.3 . 1 . . . . . 69 THR CB . 26942 1 304 . 1 1 73 73 THR N N 15 114.147 0.3 . 1 . . . . . 69 THR N . 26942 1 305 . 1 1 74 74 TYR H H 1 8.298 0.020 . 1 . . . . . 70 TYR H . 26942 1 306 . 1 1 74 74 TYR C C 13 174.571 0.3 . 1 . . . . . 70 TYR C . 26942 1 307 . 1 1 74 74 TYR CA C 13 57.129 0.3 . 1 . . . . . 70 TYR CA . 26942 1 308 . 1 1 74 74 TYR CB C 13 39.813 0.3 . 1 . . . . . 70 TYR CB . 26942 1 309 . 1 1 74 74 TYR N N 15 121.504 0.3 . 1 . . . . . 70 TYR N . 26942 1 310 . 1 1 75 75 LYS H H 1 8.258 0.020 . 1 . . . . . 71 LYS H . 26942 1 311 . 1 1 75 75 LYS C C 13 176.586 0.3 . 1 . . . . . 71 LYS C . 26942 1 312 . 1 1 75 75 LYS CA C 13 55.747 0.3 . 1 . . . . . 71 LYS CA . 26942 1 313 . 1 1 75 75 LYS CB C 13 34.167 0.3 . 1 . . . . . 71 LYS CB . 26942 1 314 . 1 1 75 75 LYS N N 15 122.575 0.3 . 1 . . . . . 71 LYS N . 26942 1 315 . 1 1 76 76 THR H H 1 8.333 0.020 . 1 . . . . . 72 THR H . 26942 1 316 . 1 1 76 76 THR C C 13 174.323 0.3 . 1 . . . . . 72 THR C . 26942 1 317 . 1 1 76 76 THR CA C 13 61.369 0.3 . 1 . . . . . 72 THR CA . 26942 1 318 . 1 1 76 76 THR CB C 13 70.366 0.3 . 1 . . . . . 72 THR CB . 26942 1 319 . 1 1 76 76 THR N N 15 116.564 0.3 . 1 . . . . . 72 THR N . 26942 1 320 . 1 1 77 77 GLU H H 1 8.419 0.020 . 1 . . . . . 73 GLU H . 26942 1 321 . 1 1 77 77 GLU C C 13 177.064 0.3 . 1 . . . . . 73 GLU C . 26942 1 322 . 1 1 77 77 GLU CA C 13 54.558 0.3 . 1 . . . . . 73 GLU CA . 26942 1 323 . 1 1 77 77 GLU CB C 13 41.008 0.3 . 1 . . . . . 73 GLU CB . 26942 1 324 . 1 1 77 77 GLU N N 15 121.377 0.3 . 1 . . . . . 73 GLU N . 26942 1 325 . 1 1 78 78 ASP H H 1 8.358 0.020 . 1 . . . . . 74 ASP H . 26942 1 326 . 1 1 78 78 ASP C C 13 178.195 0.3 . 1 . . . . . 74 ASP C . 26942 1 327 . 1 1 78 78 ASP CA C 13 54.327 0.3 . 1 . . . . . 74 ASP CA . 26942 1 328 . 1 1 78 78 ASP CB C 13 41.340 0.3 . 1 . . . . . 74 ASP CB . 26942 1 329 . 1 1 78 78 ASP N N 15 120.586 0.3 . 1 . . . . . 74 ASP N . 26942 1 330 . 1 1 79 79 LYS H H 1 8.287 0.020 . 1 . . . . . 75 LYS H . 26942 1 331 . 1 1 79 79 LYS C C 13 180.317 0.3 . 1 . . . . . 75 LYS C . 26942 1 332 . 1 1 79 79 LYS CA C 13 56.158 0.3 . 1 . . . . . 75 LYS CA . 26942 1 333 . 1 1 79 79 LYS CB C 13 32.639 0.3 . 1 . . . . . 75 LYS CB . 26942 1 334 . 1 1 79 79 LYS N N 15 121.703 0.3 . 1 . . . . . 75 LYS N . 26942 1 335 . 1 1 80 80 ARG H H 1 8.027 0.020 . 1 . . . . . 76 ARG H . 26942 1 336 . 1 1 80 80 ARG C C 13 174.536 0.3 . 1 . . . . . 76 ARG C . 26942 1 337 . 1 1 80 80 ARG CA C 13 56.630 0.3 . 1 . . . . . 76 ARG CA . 26942 1 338 . 1 1 80 80 ARG CB C 13 30.979 0.3 . 1 . . . . . 76 ARG CB . 26942 1 339 . 1 1 80 80 ARG N N 15 121.880 0.3 . 1 . . . . . 76 ARG N . 26942 1 340 . 1 1 81 81 VAL H H 1 7.783 0.020 . 1 . . . . . 77 VAL H . 26942 1 341 . 1 1 81 81 VAL C C 13 176.498 0.3 . 1 . . . . . 77 VAL C . 26942 1 342 . 1 1 81 81 VAL CA C 13 58.992 0.3 . 1 . . . . . 77 VAL CA . 26942 1 343 . 1 1 81 81 VAL N N 15 119.730 0.3 . 1 . . . . . 77 VAL N . 26942 1 344 . 1 1 82 82 PRO CA C 13 61.354 0.3 . 1 . . . . . 78 PRO CA . 26942 1 345 . 1 1 82 82 PRO CB C 13 32.506 0.3 . 1 . . . . . 78 PRO CB . 26942 1 346 . 1 1 83 83 LYS H H 1 9.038 0.020 . 1 . . . . . 79 LYS H . 26942 1 347 . 1 1 83 83 LYS C C 13 173.970 0.3 . 1 . . . . . 79 LYS C . 26942 1 348 . 1 1 83 83 LYS CA C 13 55.239 0.3 . 1 . . . . . 79 LYS CA . 26942 1 349 . 1 1 83 83 LYS CB C 13 37.089 0.3 . 1 . . . . . 79 LYS CB . 26942 1 350 . 1 1 83 83 LYS N N 15 119.713 0.3 . 1 . . . . . 79 LYS N . 26942 1 351 . 1 1 84 84 PHE H H 1 8.585 0.020 . 1 . . . . . 80 PHE H . 26942 1 352 . 1 1 84 84 PHE C C 13 174.076 0.3 . 1 . . . . . 80 PHE C . 26942 1 353 . 1 1 84 84 PHE CA C 13 55.029 0.3 . 1 . . . . . 80 PHE CA . 26942 1 354 . 1 1 84 84 PHE CB C 13 38.617 0.3 . 1 . . . . . 80 PHE CB . 26942 1 355 . 1 1 84 84 PHE N N 15 121.318 0.3 . 1 . . . . . 80 PHE N . 26942 1 356 . 1 1 85 85 LYS H H 1 8.442 0.020 . 1 . . . . . 81 LYS H . 26942 1 357 . 1 1 85 85 LYS C C 13 173.545 0.3 . 1 . . . . . 81 LYS C . 26942 1 358 . 1 1 85 85 LYS CA C 13 51.561 0.3 . 1 . . . . . 81 LYS CA . 26942 1 359 . 1 1 85 85 LYS N N 15 129.150 0.3 . 1 . . . . . 81 LYS N . 26942 1 360 . 1 1 86 86 PRO CA C 13 62.963 0.3 . 1 . . . . . 82 PRO CA . 26942 1 361 . 1 1 86 86 PRO CB C 13 33.503 0.3 . 1 . . . . . 82 PRO CB . 26942 1 362 . 1 1 87 87 GLY H H 1 8.113 0.020 . 1 . . . . . 83 GLY H . 26942 1 363 . 1 1 87 87 GLY C C 13 174.429 0.3 . 1 . . . . . 83 GLY C . 26942 1 364 . 1 1 87 87 GLY CA C 13 43.330 0.3 . 1 . . . . . 83 GLY CA . 26942 1 365 . 1 1 87 87 GLY N N 15 111.721 0.3 . 1 . . . . . 83 GLY N . 26942 1 366 . 1 1 88 88 LYS H H 1 8.473 0.020 . 1 . . . . . 84 LYS H . 26942 1 367 . 1 1 88 88 LYS C C 13 179.097 0.3 . 1 . . . . . 84 LYS C . 26942 1 368 . 1 1 88 88 LYS CA C 13 60.438 0.3 . 1 . . . . . 84 LYS CA . 26942 1 369 . 1 1 88 88 LYS CB C 13 32.374 0.3 . 1 . . . . . 84 LYS CB . 26942 1 370 . 1 1 88 88 LYS N N 15 117.660 0.3 . 1 . . . . . 84 LYS N . 26942 1 371 . 1 1 89 89 THR H H 1 8.323 0.020 . 1 . . . . . 85 THR H . 26942 1 372 . 1 1 89 89 THR C C 13 176.091 0.3 . 1 . . . . . 85 THR C . 26942 1 373 . 1 1 89 89 THR CA C 13 66.254 0.3 . 1 . . . . . 85 THR CA . 26942 1 374 . 1 1 89 89 THR CB C 13 68.108 0.3 . 1 . . . . . 85 THR CB . 26942 1 375 . 1 1 89 89 THR N N 15 119.383 0.3 . 1 . . . . . 85 THR N . 26942 1 376 . 1 1 90 90 LEU H H 1 7.333 0.020 . 1 . . . . . 86 LEU H . 26942 1 377 . 1 1 90 90 LEU C C 13 177.965 0.3 . 1 . . . . . 86 LEU C . 26942 1 378 . 1 1 90 90 LEU CA C 13 58.769 0.3 . 1 . . . . . 86 LEU CA . 26942 1 379 . 1 1 90 90 LEU CB C 13 41.473 0.3 . 1 . . . . . 86 LEU CB . 26942 1 380 . 1 1 90 90 LEU N N 15 122.048 0.3 . 1 . . . . . 86 LEU N . 26942 1 381 . 1 1 91 91 LYS H H 1 8.175 0.020 . 1 . . . . . 87 LYS H . 26942 1 382 . 1 1 91 91 LYS C C 13 178.832 0.3 . 1 . . . . . 87 LYS C . 26942 1 383 . 1 1 91 91 LYS CA C 13 60.971 0.3 . 1 . . . . . 87 LYS CA . 26942 1 384 . 1 1 91 91 LYS CB C 13 32.440 0.3 . 1 . . . . . 87 LYS CB . 26942 1 385 . 1 1 91 91 LYS N N 15 114.384 0.3 . 1 . . . . . 87 LYS N . 26942 1 386 . 1 1 92 92 GLN H H 1 7.922 0.020 . 1 . . . . . 88 GLN H . 26942 1 387 . 1 1 92 92 GLN C C 13 178.248 0.3 . 1 . . . . . 88 GLN C . 26942 1 388 . 1 1 92 92 GLN CA C 13 59.402 0.3 . 1 . . . . . 88 GLN CA . 26942 1 389 . 1 1 92 92 GLN CB C 13 28.255 0.3 . 1 . . . . . 88 GLN CB . 26942 1 390 . 1 1 92 92 GLN N N 15 119.917 0.3 . 1 . . . . . 88 GLN N . 26942 1 391 . 1 1 93 93 LYS H H 1 8.353 0.020 . 1 . . . . . 89 LYS H . 26942 1 392 . 1 1 93 93 LYS C C 13 179.557 0.3 . 1 . . . . . 89 LYS C . 26942 1 393 . 1 1 93 93 LYS CA C 13 58.628 0.3 . 1 . . . . . 89 LYS CA . 26942 1 394 . 1 1 93 93 LYS CB C 13 32.241 0.3 . 1 . . . . . 89 LYS CB . 26942 1 395 . 1 1 93 93 LYS N N 15 117.718 0.3 . 1 . . . . . 89 LYS N . 26942 1 396 . 1 1 94 94 VAL H H 1 7.616 0.020 . 1 . . . . . 90 VAL H . 26942 1 397 . 1 1 94 94 VAL C C 13 177.612 0.3 . 1 . . . . . 90 VAL C . 26942 1 398 . 1 1 94 94 VAL CA C 13 65.844 0.3 . 1 . . . . . 90 VAL CA . 26942 1 399 . 1 1 94 94 VAL CB C 13 32.971 0.3 . 1 . . . . . 90 VAL CB . 26942 1 400 . 1 1 94 94 VAL N N 15 115.983 0.3 . 1 . . . . . 90 VAL N . 26942 1 401 . 1 1 95 95 GLU H H 1 8.174 0.020 . 1 . . . . . 91 GLU H . 26942 1 402 . 1 1 95 95 GLU C C 13 178.531 0.3 . 1 . . . . . 91 GLU C . 26942 1 403 . 1 1 95 95 GLU CA C 13 58.933 0.3 . 1 . . . . . 91 GLU CA . 26942 1 404 . 1 1 95 95 GLU CB C 13 29.783 0.3 . 1 . . . . . 91 GLU CB . 26942 1 405 . 1 1 95 95 GLU N N 15 120.726 0.3 . 1 . . . . . 91 GLU N . 26942 1 406 . 1 1 96 96 GLU H H 1 8.166 0.020 . 1 . . . . . 92 GLU H . 26942 1 407 . 1 1 96 96 GLU C C 13 177.789 0.3 . 1 . . . . . 92 GLU C . 26942 1 408 . 1 1 96 96 GLU CA C 13 57.348 0.3 . 1 . . . . . 92 GLU CA . 26942 1 409 . 1 1 96 96 GLU CB C 13 30.182 0.3 . 1 . . . . . 92 GLU CB . 26942 1 410 . 1 1 96 96 GLU N N 15 116.785 0.3 . 1 . . . . . 92 GLU N . 26942 1 411 . 1 1 97 97 GLY H H 1 7.767 0.020 . 1 . . . . . 93 GLY H . 26942 1 412 . 1 1 97 97 GLY C C 13 173.346 0.3 . 1 . . . . . 93 GLY C . 26942 1 413 . 1 1 97 97 GLY CA C 13 45.915 0.3 . 1 . . . . . 93 GLY CA . 26942 1 414 . 1 1 97 97 GLY N N 15 108.141 0.3 . 1 . . . . . 93 GLY N . 26942 1 415 . 1 1 98 98 LYS H H 1 7.616 0.020 . 1 . . . . . 94 LYS H . 26942 1 416 . 1 1 98 98 LYS C C 13 180.958 0.3 . 1 . . . . . 94 LYS C . 26942 1 417 . 1 1 98 98 LYS CA C 13 57.488 0.3 . 1 . . . . . 94 LYS CA . 26942 1 418 . 1 1 98 98 LYS N N 15 124.237 0.3 . 1 . . . . . 94 LYS N . 26942 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26942 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.35 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 PANAV _Assigned_chem_shift_list.Details 'Probabilistic Approach to NMR Assignment and Validation (Online Application tool)' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26942 2 2 '3D CBCA(CO)NH' . . . 26942 2 3 '3D C(CO)NH' . . . 26942 2 4 '3D HNCO' . . . 26942 2 5 '3D HNCA' . . . 26942 2 6 '3D HNCACB' . . . 26942 2 7 '3D 1H-15N NOESY' . . . 26942 2 8 '3D 1H-15N TOCSY' . . . 26942 2 9 HNN . . . 26942 2 10 hNCAnH . . . 26942 2 11 HN(CA)CO . . . 26942 2 12 IntraHNCA . . . 26942 2 13 NNH-NOESY . . . 26942 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 26942 2 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.Ambiguity_set_ID _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 11 11 ILE H H 1 8.427 0.020 . 1 . . . . . 7 ILE H . 26942 2 2 . 1 1 11 11 ILE HA H 1 4.152 0.020 . 1 . . . . . 7 ILE HA . 26942 2 3 . 1 1 11 11 ILE HG12 H 1 1.246 0.020 . 1 . . . . . 7 ILE HG12 . 26942 2 4 . 1 1 11 11 ILE C C 13 177.695 0.3 . 1 . . . . . 7 ILE C . 26942 2 5 . 1 1 11 11 ILE CA C 13 66.085 0.3 . 1 . . . . . 7 ILE CA . 26942 2 6 . 1 1 11 11 ILE CB C 13 37.781 0.3 . 1 . . . . . 7 ILE CB . 26942 2 7 . 1 1 11 11 ILE CG1 C 13 29.849 0.3 . 1 . . . . . 7 ILE CG1 . 26942 2 8 . 1 1 11 11 ILE CG2 C 13 18.630 0.3 . 1 . . . . . 7 ILE CG2 . 26942 2 9 . 1 1 11 11 ILE N N 15 118.654 0.3 . 1 . . . . . 7 ILE N . 26942 2 10 . 1 1 12 12 ASP H H 1 7.432 0.020 . 1 . . . . . 8 ASP H . 26942 2 11 . 1 1 12 12 ASP HA H 1 4.406 0.020 . 1 . . . . . 8 ASP HA . 26942 2 12 . 1 1 12 12 ASP C C 13 179.073 0.3 . 1 . . . . . 8 ASP C . 26942 2 13 . 1 1 12 12 ASP CA C 13 57.745 0.3 . 1 . . . . . 8 ASP CA . 26942 2 14 . 1 1 12 12 ASP CB C 13 40.603 0.3 . 1 . . . . . 8 ASP CB . 26942 2 15 . 1 1 12 12 ASP N N 15 118.882 0.3 . 1 . . . . . 8 ASP N . 26942 2 16 . 1 1 13 13 LEU H H 1 7.723 0.020 . 1 . . . . . 9 LEU H . 26942 2 17 . 1 1 13 13 LEU HA H 1 4.112 0.020 . 1 . . . . . 9 LEU HA . 26942 2 18 . 1 1 13 13 LEU HB2 H 1 1.686 0.020 . 1 . . . . . 9 LEU HB2 . 26942 2 19 . 1 1 13 13 LEU C C 13 180.046 0.3 . 1 . . . . . 9 LEU C . 26942 2 20 . 1 1 13 13 LEU CA C 13 58.062 0.3 . 1 . . . . . 9 LEU CA . 26942 2 21 . 1 1 13 13 LEU CB C 13 42.302 0.3 . 1 . . . . . 9 LEU CB . 26942 2 22 . 1 1 13 13 LEU N N 15 121.869 0.3 . 1 . . . . . 9 LEU N . 26942 2 23 . 1 1 14 14 VAL H H 1 8.044 0.020 . 1 . . . . . 10 VAL H . 26942 2 24 . 1 1 14 14 VAL HA H 1 4.432 0.020 . 1 . . . . . 10 VAL HA . 26942 2 25 . 1 1 14 14 VAL HB H 1 1.666 0.020 . 1 . . . . . 10 VAL HB . 26942 2 26 . 1 1 14 14 VAL HG11 H 1 1.429 0.020 . 1 . . . . . 10 VAL HG1 . 26942 2 27 . 1 1 14 14 VAL HG12 H 1 1.429 0.020 . 1 . . . . . 10 VAL HG1 . 26942 2 28 . 1 1 14 14 VAL HG13 H 1 1.429 0.020 . 1 . . . . . 10 VAL HG1 . 26942 2 29 . 1 1 14 14 VAL HG21 H 1 1.321 0.020 . 1 . . . . . 10 VAL HG2 . 26942 2 30 . 1 1 14 14 VAL HG22 H 1 1.321 0.020 . 1 . . . . . 10 VAL HG2 . 26942 2 31 . 1 1 14 14 VAL HG23 H 1 1.321 0.020 . 1 . . . . . 10 VAL HG2 . 26942 2 32 . 1 1 14 14 VAL C C 13 177.823 0.3 . 1 . . . . . 10 VAL C . 26942 2 33 . 1 1 14 14 VAL CA C 13 66.884 0.3 . 1 . . . . . 10 VAL CA . 26942 2 34 . 1 1 14 14 VAL CB C 13 31.409 0.3 . 1 . . . . . 10 VAL CB . 26942 2 35 . 1 1 14 14 VAL CG1 C 13 23.688 0.3 . 1 . . . . . 10 VAL CG1 . 26942 2 36 . 1 1 14 14 VAL CG2 C 13 21.941 0.3 . 1 . . . . . 10 VAL CG2 . 26942 2 37 . 1 1 14 14 VAL N N 15 121.981 0.3 . 1 . . . . . 10 VAL N . 26942 2 38 . 1 1 15 15 LYS H H 1 8.625 0.020 . 1 . . . . . 11 LYS H . 26942 2 39 . 1 1 15 15 LYS HA H 1 4.411 0.020 . 1 . . . . . 11 LYS HA . 26942 2 40 . 1 1 15 15 LYS C C 13 178.524 0.3 . 1 . . . . . 11 LYS C . 26942 2 41 . 1 1 15 15 LYS CA C 13 60.746 0.3 . 1 . . . . . 11 LYS CA . 26942 2 42 . 1 1 15 15 LYS CB C 13 32.881 0.3 . 1 . . . . . 11 LYS CB . 26942 2 43 . 1 1 15 15 LYS CG C 13 24.910 0.3 . 1 . . . . . 11 LYS CG . 26942 2 44 . 1 1 15 15 LYS CD C 13 29.298 0.3 . 1 . . . . . 11 LYS CD . 26942 2 45 . 1 1 15 15 LYS N N 15 120.675 0.3 . 1 . . . . . 11 LYS N . 26942 2 46 . 1 1 16 16 GLU H H 1 7.969 0.020 . 1 . . . . . 12 GLU H . 26942 2 47 . 1 1 16 16 GLU HA H 1 4.107 0.020 . 1 . . . . . 12 GLU HA . 26942 2 48 . 1 1 16 16 GLU HB2 H 1 2.096 0.020 . 1 . . . . . 12 GLU HB2 . 26942 2 49 . 1 1 16 16 GLU HG2 H 1 2.312 0.020 . 1 . . . . . 12 GLU HG2 . 26942 2 50 . 1 1 16 16 GLU C C 13 179.895 0.3 . 1 . . . . . 12 GLU C . 26942 2 51 . 1 1 16 16 GLU CA C 13 58.937 0.3 . 1 . . . . . 12 GLU CA . 26942 2 52 . 1 1 16 16 GLU CB C 13 29.807 0.3 . 1 . . . . . 12 GLU CB . 26942 2 53 . 1 1 16 16 GLU CG C 13 36.137 0.3 . 1 . . . . . 12 GLU CG . 26942 2 54 . 1 1 16 16 GLU N N 15 117.456 0.3 . 1 . . . . . 12 GLU N . 26942 2 55 . 1 1 17 17 ALA H H 1 8.512 0.020 . 1 . . . . . 13 ALA H . 26942 2 56 . 1 1 17 17 ALA HA H 1 4.701 0.020 . 1 . . . . . 13 ALA HA . 26942 2 57 . 1 1 17 17 ALA HB1 H 1 1.475 0.020 . 1 . . . . . 13 ALA HB . 26942 2 58 . 1 1 17 17 ALA HB2 H 1 1.475 0.020 . 1 . . . . . 13 ALA HB . 26942 2 59 . 1 1 17 17 ALA HB3 H 1 1.475 0.020 . 1 . . . . . 13 ALA HB . 26942 2 60 . 1 1 17 17 ALA C C 13 180.035 0.3 . 1 . . . . . 13 ALA C . 26942 2 61 . 1 1 17 17 ALA CA C 13 55.144 0.3 . 1 . . . . . 13 ALA CA . 26942 2 62 . 1 1 17 17 ALA CB C 13 19.617 0.3 . 1 . . . . . 13 ALA CB . 26942 2 63 . 1 1 17 17 ALA N N 15 122.895 0.3 . 1 . . . . . 13 ALA N . 26942 2 64 . 1 1 18 18 GLY H H 1 8.357 0.020 . 1 . . . . . 14 GLY H . 26942 2 65 . 1 1 18 18 GLY HA2 H 1 3.910 0.020 . 1 . . . . . 14 GLY HA2 . 26942 2 66 . 1 1 18 18 GLY C C 13 172.410 0.3 . 1 . . . . . 14 GLY C . 26942 2 67 . 1 1 18 18 GLY CA C 13 44.690 0.3 . 1 . . . . . 14 GLY CA . 26942 2 68 . 1 1 18 18 GLY N N 15 102.469 0.3 . 1 . . . . . 14 GLY N . 26942 2 69 . 1 1 19 19 LYS H H 1 7.515 0.020 . 1 . . . . . 15 LYS H . 26942 2 70 . 1 1 19 19 LYS HA H 1 3.835 0.020 . 1 . . . . . 15 LYS HA . 26942 2 71 . 1 1 19 19 LYS HB2 H 1 1.849 0.020 . 2 . . . . . 15 LYS HB2 . 26942 2 72 . 1 1 19 19 LYS HB3 H 1 1.698 0.020 . 2 . . . . . 15 LYS HB3 . 26942 2 73 . 1 1 19 19 LYS HG2 H 1 1.268 0.020 . 1 . . . . . 15 LYS HG2 . 26942 2 74 . 1 1 19 19 LYS C C 13 176.800 0.3 . 1 . . . . . 15 LYS C . 26942 2 75 . 1 1 19 19 LYS CA C 13 56.814 0.3 . 1 . . . . . 15 LYS CA . 26942 2 76 . 1 1 19 19 LYS CB C 13 29.022 0.3 . 1 . . . . . 15 LYS CB . 26942 2 77 . 1 1 19 19 LYS CG C 13 24.641 0.3 . 1 . . . . . 15 LYS CG . 26942 2 78 . 1 1 19 19 LYS CD C 13 27.927 0.3 . 1 . . . . . 15 LYS CD . 26942 2 79 . 1 1 19 19 LYS CE C 13 42.604 0.3 . 1 . . . . . 15 LYS CE . 26942 2 80 . 1 1 19 19 LYS N N 15 116.717 0.3 . 1 . . . . . 15 LYS N . 26942 2 81 . 1 1 20 20 TYR H H 1 8.171 0.020 . 1 . . . . . 16 TYR H . 26942 2 82 . 1 1 20 20 TYR HA H 1 4.583 0.020 . 1 . . . . . 16 TYR HA . 26942 2 83 . 1 1 20 20 TYR HB2 H 1 2.668 0.020 . 1 . . . . . 16 TYR HB2 . 26942 2 84 . 1 1 20 20 TYR C C 13 177.432 0.3 . 1 . . . . . 16 TYR C . 26942 2 85 . 1 1 20 20 TYR CA C 13 58.134 0.3 . 1 . . . . . 16 TYR CA . 26942 2 86 . 1 1 20 20 TYR CB C 13 39.561 0.3 . 1 . . . . . 16 TYR CB . 26942 2 87 . 1 1 20 20 TYR N N 15 116.789 0.3 . 1 . . . . . 16 TYR N . 26942 2 88 . 1 1 21 21 ASN H H 1 9.362 0.020 . 1 . . . . . 17 ASN H . 26942 2 89 . 1 1 21 21 ASN HA H 1 4.586 0.020 . 1 . . . . . 17 ASN HA . 26942 2 90 . 1 1 21 21 ASN HB2 H 1 2.957 0.020 . 1 . . . . . 17 ASN HB2 . 26942 2 91 . 1 1 21 21 ASN C C 13 175.403 0.3 . 1 . . . . . 17 ASN C . 26942 2 92 . 1 1 21 21 ASN CA C 13 54.942 0.3 . 1 . . . . . 17 ASN CA . 26942 2 93 . 1 1 21 21 ASN CB C 13 39.847 0.3 . 1 . . . . . 17 ASN CB . 26942 2 94 . 1 1 21 21 ASN N N 15 118.265 0.3 . 1 . . . . . 17 ASN N . 26942 2 95 . 1 1 22 22 SER H H 1 7.785 0.020 . 1 . . . . . 18 SER H . 26942 2 96 . 1 1 22 22 SER HA H 1 4.883 0.020 . 1 . . . . . 18 SER HA . 26942 2 97 . 1 1 22 22 SER C C 13 174.059 0.3 . 1 . . . . . 18 SER C . 26942 2 98 . 1 1 22 22 SER CA C 13 56.689 0.3 . 1 . . . . . 18 SER CA . 26942 2 99 . 1 1 22 22 SER CB C 13 66.924 0.3 . 1 . . . . . 18 SER CB . 26942 2 100 . 1 1 22 22 SER N N 15 110.764 0.3 . 1 . . . . . 18 SER N . 26942 2 101 . 1 1 23 23 LYS H H 1 8.898 0.020 . 1 . . . . . 19 LYS H . 26942 2 102 . 1 1 23 23 LYS HA H 1 4.303 0.020 . 1 . . . . . 19 LYS HA . 26942 2 103 . 1 1 23 23 LYS HB2 H 1 2.281 0.020 . 1 . . . . . 19 LYS HB2 . 26942 2 104 . 1 1 23 23 LYS C C 13 178.292 0.3 . 1 . . . . . 19 LYS C . 26942 2 105 . 1 1 23 23 LYS CA C 13 60.301 0.3 . 1 . . . . . 19 LYS CA . 26942 2 106 . 1 1 23 23 LYS CB C 13 32.538 0.3 . 1 . . . . . 19 LYS CB . 26942 2 107 . 1 1 23 23 LYS CG C 13 18.785 0.3 . 1 . . . . . 19 LYS CG . 26942 2 108 . 1 1 23 23 LYS CD C 13 26.099 0.3 . 1 . . . . . 19 LYS CD . 26942 2 109 . 1 1 23 23 LYS CE C 13 42.189 0.3 . 1 . . . . . 19 LYS CE . 26942 2 110 . 1 1 23 23 LYS N N 15 122.175 0.3 . 1 . . . . . 19 LYS N . 26942 2 111 . 1 1 24 24 ARG H H 1 8.234 0.020 . 1 . . . . . 20 ARG H . 26942 2 112 . 1 1 24 24 ARG HA H 1 4.200 0.020 . 1 . . . . . 20 ARG HA . 26942 2 113 . 1 1 24 24 ARG HB2 H 1 2.064 0.020 . 2 . . . . . 20 ARG HB2 . 26942 2 114 . 1 1 24 24 ARG HB3 H 1 1.978 0.020 . 2 . . . . . 20 ARG HB3 . 26942 2 115 . 1 1 24 24 ARG HG2 H 1 1.880 0.020 . 1 . . . . . 20 ARG HG2 . 26942 2 116 . 1 1 24 24 ARG C C 13 178.363 0.3 . 1 . . . . . 20 ARG C . 26942 2 117 . 1 1 24 24 ARG CA C 13 59.314 0.3 . 1 . . . . . 20 ARG CA . 26942 2 118 . 1 1 24 24 ARG CB C 13 29.682 0.3 . 1 . . . . . 20 ARG CB . 26942 2 119 . 1 1 24 24 ARG CG C 13 26.464 0.3 . 1 . . . . . 20 ARG CG . 26942 2 120 . 1 1 24 24 ARG CD C 13 43.103 0.3 . 1 . . . . . 20 ARG CD . 26942 2 121 . 1 1 24 24 ARG N N 15 119.459 0.3 . 1 . . . . . 20 ARG N . 26942 2 122 . 1 1 25 25 GLU H H 1 7.623 0.020 . 1 . . . . . 21 GLU H . 26942 2 123 . 1 1 25 25 GLU HA H 1 3.817 0.020 . 1 . . . . . 21 GLU HA . 26942 2 124 . 1 1 25 25 GLU HB2 H 1 2.207 0.020 . 2 . . . . . 21 GLU HB2 . 26942 2 125 . 1 1 25 25 GLU HB3 H 1 1.898 0.020 . 2 . . . . . 21 GLU HB3 . 26942 2 126 . 1 1 25 25 GLU C C 13 179.089 0.3 . 1 . . . . . 21 GLU C . 26942 2 127 . 1 1 25 25 GLU CA C 13 59.556 0.3 . 1 . . . . . 21 GLU CA . 26942 2 128 . 1 1 25 25 GLU CB C 13 30.413 0.3 . 1 . . . . . 21 GLU CB . 26942 2 129 . 1 1 25 25 GLU CG C 13 37.718 0.3 . 1 . . . . . 21 GLU CG . 26942 2 130 . 1 1 25 25 GLU N N 15 117.301 0.3 . 1 . . . . . 21 GLU N . 26942 2 131 . 1 1 26 26 ALA H H 1 6.883 0.020 . 1 . . . . . 22 ALA H . 26942 2 132 . 1 1 26 26 ALA HA H 1 3.762 0.020 . 1 . . . . . 22 ALA HA . 26942 2 133 . 1 1 26 26 ALA HB1 H 1 1.455 0.020 . 1 . . . . . 22 ALA HB . 26942 2 134 . 1 1 26 26 ALA HB2 H 1 1.455 0.020 . 1 . . . . . 22 ALA HB . 26942 2 135 . 1 1 26 26 ALA HB3 H 1 1.455 0.020 . 1 . . . . . 22 ALA HB . 26942 2 136 . 1 1 26 26 ALA C C 13 178.452 0.3 . 1 . . . . . 22 ALA C . 26942 2 137 . 1 1 26 26 ALA CA C 13 54.810 0.3 . 1 . . . . . 22 ALA CA . 26942 2 138 . 1 1 26 26 ALA CB C 13 19.187 0.3 . 1 . . . . . 22 ALA CB . 26942 2 139 . 1 1 26 26 ALA N N 15 121.300 0.3 . 1 . . . . . 22 ALA N . 26942 2 140 . 1 1 27 27 GLU H H 1 8.537 0.020 . 1 . . . . . 23 GLU H . 26942 2 141 . 1 1 27 27 GLU HA H 1 3.861 0.020 . 1 . . . . . 23 GLU HA . 26942 2 142 . 1 1 27 27 GLU HB2 H 1 2.204 0.020 . 1 . . . . . 23 GLU HB2 . 26942 2 143 . 1 1 27 27 GLU C C 13 179.994 0.3 . 1 . . . . . 23 GLU C . 26942 2 144 . 1 1 27 27 GLU CA C 13 60.568 0.3 . 1 . . . . . 23 GLU CA . 26942 2 145 . 1 1 27 27 GLU CB C 13 30.014 0.3 . 1 . . . . . 23 GLU CB . 26942 2 146 . 1 1 27 27 GLU CG C 13 37.618 0.3 . 1 . . . . . 23 GLU CG . 26942 2 147 . 1 1 27 27 GLU N N 15 118.604 0.3 . 1 . . . . . 23 GLU N . 26942 2 148 . 1 1 28 28 GLU H H 1 8.483 0.020 . 1 . . . . . 24 GLU H . 26942 2 149 . 1 1 28 28 GLU HA H 1 3.994 0.020 . 1 . . . . . 24 GLU HA . 26942 2 150 . 1 1 28 28 GLU HB2 H 1 2.064 0.020 . 2 . . . . . 24 GLU HB2 . 26942 2 151 . 1 1 28 28 GLU HB3 H 1 1.964 0.020 . 2 . . . . . 24 GLU HB3 . 26942 2 152 . 1 1 28 28 GLU C C 13 178.807 0.3 . 1 . . . . . 24 GLU C . 26942 2 153 . 1 1 28 28 GLU CA C 13 59.437 0.3 . 1 . . . . . 24 GLU CA . 26942 2 154 . 1 1 28 28 GLU CB C 13 29.483 0.3 . 1 . . . . . 24 GLU CB . 26942 2 155 . 1 1 28 28 GLU CG C 13 37.069 0.3 . 1 . . . . . 24 GLU CG . 26942 2 156 . 1 1 28 28 GLU N N 15 119.528 0.3 . 1 . . . . . 24 GLU N . 26942 2 157 . 1 1 29 29 ALA H H 1 7.463 0.020 . 1 . . . . . 25 ALA H . 26942 2 158 . 1 1 29 29 ALA HA H 1 4.554 0.020 . 1 . . . . . 25 ALA HA . 26942 2 159 . 1 1 29 29 ALA HB1 H 1 1.665 0.020 . 1 . . . . . 25 ALA HB . 26942 2 160 . 1 1 29 29 ALA HB2 H 1 1.665 0.020 . 1 . . . . . 25 ALA HB . 26942 2 161 . 1 1 29 29 ALA HB3 H 1 1.665 0.020 . 1 . . . . . 25 ALA HB . 26942 2 162 . 1 1 29 29 ALA C C 13 179.962 0.3 . 1 . . . . . 25 ALA C . 26942 2 163 . 1 1 29 29 ALA CA C 13 55.605 0.3 . 1 . . . . . 25 ALA CA . 26942 2 164 . 1 1 29 29 ALA CB C 13 17.773 0.3 . 1 . . . . . 25 ALA CB . 26942 2 165 . 1 1 29 29 ALA N N 15 123.601 0.3 . 1 . . . . . 25 ALA N . 26942 2 166 . 1 1 30 30 ILE H H 1 7.801 0.020 . 1 . . . . . 26 ILE H . 26942 2 167 . 1 1 30 30 ILE HA H 1 4.107 0.020 . 1 . . . . . 26 ILE HA . 26942 2 168 . 1 1 30 30 ILE C C 13 179.038 0.3 . 1 . . . . . 26 ILE C . 26942 2 169 . 1 1 30 30 ILE CA C 13 66.202 0.3 . 1 . . . . . 26 ILE CA . 26942 2 170 . 1 1 30 30 ILE CB C 13 38.562 0.3 . 1 . . . . . 26 ILE CB . 26942 2 171 . 1 1 30 30 ILE CG2 C 13 17.905 0.3 . 1 . . . . . 26 ILE CG2 . 26942 2 172 . 1 1 30 30 ILE N N 15 116.852 0.3 . 1 . . . . . 26 ILE N . 26942 2 173 . 1 1 31 31 SER H H 1 8.289 0.020 . 1 . . . . . 27 SER H . 26942 2 174 . 1 1 31 31 SER HA H 1 4.125 0.020 . 1 . . . . . 27 SER HA . 26942 2 175 . 1 1 31 31 SER HB3 H 1 3.973 0.020 . 1 . . . . . 27 SER HB3 . 26942 2 176 . 1 1 31 31 SER C C 13 174.856 0.3 . 1 . . . . . 27 SER C . 26942 2 177 . 1 1 31 31 SER CA C 13 62.138 0.3 . 1 . . . . . 27 SER CA . 26942 2 178 . 1 1 31 31 SER CB C 13 70.066 0.3 . 1 . . . . . 27 SER CB . 26942 2 179 . 1 1 31 31 SER N N 15 115.794 0.3 . 1 . . . . . 27 SER N . 26942 2 180 . 1 1 32 32 ALA H H 1 8.474 0.020 . 1 . . . . . 28 ALA H . 26942 2 181 . 1 1 32 32 ALA HA H 1 4.297 0.020 . 1 . . . . . 28 ALA HA . 26942 2 182 . 1 1 32 32 ALA HB1 H 1 1.540 0.020 . 1 . . . . . 28 ALA HB . 26942 2 183 . 1 1 32 32 ALA HB2 H 1 1.540 0.020 . 1 . . . . . 28 ALA HB . 26942 2 184 . 1 1 32 32 ALA HB3 H 1 1.540 0.020 . 1 . . . . . 28 ALA HB . 26942 2 185 . 1 1 32 32 ALA C C 13 178.681 0.3 . 1 . . . . . 28 ALA C . 26942 2 186 . 1 1 32 32 ALA CA C 13 55.097 0.3 . 1 . . . . . 28 ALA CA . 26942 2 187 . 1 1 32 32 ALA CB C 13 18.933 0.3 . 1 . . . . . 28 ALA CB . 26942 2 188 . 1 1 32 32 ALA N N 15 122.845 0.3 . 1 . . . . . 28 ALA N . 26942 2 189 . 1 1 33 33 PHE H H 1 8.172 0.020 . 1 . . . . . 29 PHE H . 26942 2 190 . 1 1 33 33 PHE HA H 1 4.376 0.020 . 1 . . . . . 29 PHE HA . 26942 2 191 . 1 1 33 33 PHE C C 13 177.130 0.3 . 1 . . . . . 29 PHE C . 26942 2 192 . 1 1 33 33 PHE CA C 13 62.922 0.3 . 1 . . . . . 29 PHE CA . 26942 2 193 . 1 1 33 33 PHE CB C 13 40.044 0.3 . 1 . . . . . 29 PHE CB . 26942 2 194 . 1 1 33 33 PHE N N 15 115.996 0.3 . 1 . . . . . 29 PHE N . 26942 2 195 . 1 1 34 34 THR H H 1 8.080 0.020 . 1 . . . . . 30 THR H . 26942 2 196 . 1 1 34 34 THR HA H 1 4.119 0.020 . 1 . . . . . 30 THR HA . 26942 2 197 . 1 1 34 34 THR HB H 1 3.569 0.020 . 1 . . . . . 30 THR HB . 26942 2 198 . 1 1 34 34 THR HG21 H 1 1.526 0.020 . 1 . . . . . 30 THR HG2 . 26942 2 199 . 1 1 34 34 THR HG22 H 1 1.526 0.020 . 1 . . . . . 30 THR HG2 . 26942 2 200 . 1 1 34 34 THR HG23 H 1 1.526 0.020 . 1 . . . . . 30 THR HG2 . 26942 2 201 . 1 1 34 34 THR C C 13 175.608 0.3 . 1 . . . . . 30 THR C . 26942 2 202 . 1 1 34 34 THR CA C 13 64.949 0.3 . 1 . . . . . 30 THR CA . 26942 2 203 . 1 1 34 34 THR CB C 13 68.894 0.3 . 1 . . . . . 30 THR CB . 26942 2 204 . 1 1 34 34 THR CG2 C 13 21.364 0.3 . 1 . . . . . 30 THR CG2 . 26942 2 205 . 1 1 34 34 THR N N 15 107.673 0.3 . 1 . . . . . 30 THR N . 26942 2 206 . 1 1 35 35 LEU H H 1 8.219 0.020 . 1 . . . . . 31 LEU H . 26942 2 207 . 1 1 35 35 LEU HA H 1 4.367 0.020 . 1 . . . . . 31 LEU HA . 26942 2 208 . 1 1 35 35 LEU HB2 H 1 2.095 0.020 . 1 . . . . . 31 LEU HB2 . 26942 2 209 . 1 1 35 35 LEU HD11 H 1 0.961 0.020 . 1 . . . . . 31 LEU HD1 . 26942 2 210 . 1 1 35 35 LEU HD12 H 1 0.961 0.020 . 1 . . . . . 31 LEU HD1 . 26942 2 211 . 1 1 35 35 LEU HD13 H 1 0.961 0.020 . 1 . . . . . 31 LEU HD1 . 26942 2 212 . 1 1 35 35 LEU C C 13 180.644 0.3 . 1 . . . . . 31 LEU C . 26942 2 213 . 1 1 35 35 LEU CA C 13 57.903 0.3 . 1 . . . . . 31 LEU CA . 26942 2 214 . 1 1 35 35 LEU CB C 13 41.332 0.3 . 1 . . . . . 31 LEU CB . 26942 2 215 . 1 1 35 35 LEU CG C 13 27.274 0.3 . 1 . . . . . 31 LEU CG . 26942 2 216 . 1 1 35 35 LEU CD1 C 13 24.332 0.3 . 1 . . . . . 31 LEU CD1 . 26942 2 217 . 1 1 35 35 LEU CD2 C 13 23.708 0.3 . 1 . . . . . 31 LEU CD2 . 26942 2 218 . 1 1 35 35 LEU N N 15 123.022 0.3 . 1 . . . . . 31 LEU N . 26942 2 219 . 1 1 36 36 ALA H H 1 7.984 0.020 . 1 . . . . . 32 ALA H . 26942 2 220 . 1 1 36 36 ALA HA H 1 3.812 0.020 . 1 . . . . . 32 ALA HA . 26942 2 221 . 1 1 36 36 ALA HB1 H 1 1.029 0.020 . 1 . . . . . 32 ALA HB . 26942 2 222 . 1 1 36 36 ALA HB2 H 1 1.029 0.020 . 1 . . . . . 32 ALA HB . 26942 2 223 . 1 1 36 36 ALA HB3 H 1 1.029 0.020 . 1 . . . . . 32 ALA HB . 26942 2 224 . 1 1 36 36 ALA C C 13 179.383 0.3 . 1 . . . . . 32 ALA C . 26942 2 225 . 1 1 36 36 ALA CA C 13 56.120 0.3 . 1 . . . . . 32 ALA CA . 26942 2 226 . 1 1 36 36 ALA CB C 13 20.011 0.3 . 1 . . . . . 32 ALA CB . 26942 2 227 . 1 1 36 36 ALA N N 15 124.174 0.3 . 1 . . . . . 32 ALA N . 26942 2 228 . 1 1 37 37 VAL H H 1 8.000 0.020 . 1 . . . . . 33 VAL H . 26942 2 229 . 1 1 37 37 VAL HA H 1 4.120 0.020 . 1 . . . . . 33 VAL HA . 26942 2 230 . 1 1 37 37 VAL HG11 H 1 0.696 0.020 . 1 . . . . . 33 VAL HG1 . 26942 2 231 . 1 1 37 37 VAL HG12 H 1 0.696 0.020 . 1 . . . . . 33 VAL HG1 . 26942 2 232 . 1 1 37 37 VAL HG13 H 1 0.696 0.020 . 1 . . . . . 33 VAL HG1 . 26942 2 233 . 1 1 37 37 VAL HG21 H 1 0.515 0.020 . 1 . . . . . 33 VAL HG2 . 26942 2 234 . 1 1 37 37 VAL HG22 H 1 0.515 0.020 . 1 . . . . . 33 VAL HG2 . 26942 2 235 . 1 1 37 37 VAL HG23 H 1 0.515 0.020 . 1 . . . . . 33 VAL HG2 . 26942 2 236 . 1 1 37 37 VAL C C 13 177.650 0.3 . 1 . . . . . 33 VAL C . 26942 2 237 . 1 1 37 37 VAL CA C 13 67.938 0.3 . 1 . . . . . 33 VAL CA . 26942 2 238 . 1 1 37 37 VAL CB C 13 31.405 0.3 . 1 . . . . . 33 VAL CB . 26942 2 239 . 1 1 37 37 VAL CG1 C 13 22.123 0.3 . 1 . . . . . 33 VAL CG1 . 26942 2 240 . 1 1 37 37 VAL CG2 C 13 21.744 0.3 . 1 . . . . . 33 VAL CG2 . 26942 2 241 . 1 1 37 37 VAL N N 15 117.729 0.3 . 1 . . . . . 33 VAL N . 26942 2 242 . 1 1 38 38 GLU H H 1 8.411 0.020 . 1 . . . . . 34 GLU H . 26942 2 243 . 1 1 38 38 GLU HA H 1 4.134 0.020 . 1 . . . . . 34 GLU HA . 26942 2 244 . 1 1 38 38 GLU C C 13 179.993 0.3 . 1 . . . . . 34 GLU C . 26942 2 245 . 1 1 38 38 GLU CA C 13 60.316 0.3 . 1 . . . . . 34 GLU CA . 26942 2 246 . 1 1 38 38 GLU CB C 13 30.213 0.3 . 1 . . . . . 34 GLU CB . 26942 2 247 . 1 1 38 38 GLU CG C 13 36.838 0.3 . 1 . . . . . 34 GLU CG . 26942 2 248 . 1 1 38 38 GLU N N 15 117.914 0.3 . 1 . . . . . 34 GLU N . 26942 2 249 . 1 1 39 39 THR H H 1 8.505 0.020 . 1 . . . . . 35 THR H . 26942 2 250 . 1 1 39 39 THR HA H 1 4.348 0.020 . 1 . . . . . 35 THR HA . 26942 2 251 . 1 1 39 39 THR HG21 H 1 1.209 0.020 . 1 . . . . . 35 THR HG2 . 26942 2 252 . 1 1 39 39 THR HG22 H 1 1.209 0.020 . 1 . . . . . 35 THR HG2 . 26942 2 253 . 1 1 39 39 THR HG23 H 1 1.209 0.020 . 1 . . . . . 35 THR HG2 . 26942 2 254 . 1 1 39 39 THR C C 13 176.563 0.3 . 1 . . . . . 35 THR C . 26942 2 255 . 1 1 39 39 THR CA C 13 67.274 0.3 . 1 . . . . . 35 THR CA . 26942 2 256 . 1 1 39 39 THR CB C 13 68.684 0.3 . 1 . . . . . 35 THR CB . 26942 2 257 . 1 1 39 39 THR CG2 C 13 21.196 0.3 . 1 . . . . . 35 THR CG2 . 26942 2 258 . 1 1 39 39 THR N N 15 117.299 0.3 . 1 . . . . . 35 THR N . 26942 2 259 . 1 1 40 40 ALA H H 1 8.394 0.020 . 1 . . . . . 36 ALA H . 26942 2 260 . 1 1 40 40 ALA HA H 1 4.378 0.020 . 1 . . . . . 36 ALA HA . 26942 2 261 . 1 1 40 40 ALA C C 13 179.822 0.3 . 1 . . . . . 36 ALA C . 26942 2 262 . 1 1 40 40 ALA CA C 13 56.175 0.3 . 1 . . . . . 36 ALA CA . 26942 2 263 . 1 1 40 40 ALA CB C 13 18.523 0.3 . 1 . . . . . 36 ALA CB . 26942 2 264 . 1 1 40 40 ALA N N 15 124.840 0.3 . 1 . . . . . 36 ALA N . 26942 2 265 . 1 1 41 41 LEU H H 1 8.542 0.020 . 1 . . . . . 37 LEU H . 26942 2 266 . 1 1 41 41 LEU HA H 1 4.171 0.020 . 1 . . . . . 37 LEU HA . 26942 2 267 . 1 1 41 41 LEU C C 13 181.735 0.3 . 1 . . . . . 37 LEU C . 26942 2 268 . 1 1 41 41 LEU CA C 13 58.189 0.3 . 1 . . . . . 37 LEU CA . 26942 2 269 . 1 1 41 41 LEU CB C 13 41.086 0.3 . 1 . . . . . 37 LEU CB . 26942 2 270 . 1 1 41 41 LEU N N 15 115.635 0.3 . 1 . . . . . 37 LEU N . 26942 2 271 . 1 1 42 42 SER H H 1 8.335 0.020 . 1 . . . . . 38 SER H . 26942 2 272 . 1 1 42 42 SER HA H 1 4.376 0.020 . 1 . . . . . 38 SER HA . 26942 2 273 . 1 1 42 42 SER C C 13 175.459 0.3 . 1 . . . . . 38 SER C . 26942 2 274 . 1 1 42 42 SER CA C 13 61.565 0.3 . 1 . . . . . 38 SER CA . 26942 2 275 . 1 1 42 42 SER CB C 13 63.359 0.3 . 1 . . . . . 38 SER CB . 26942 2 276 . 1 1 42 42 SER N N 15 116.307 0.3 . 1 . . . . . 38 SER N . 26942 2 277 . 1 1 43 43 LYS H H 1 7.551 0.020 . 1 . . . . . 39 LYS H . 26942 2 278 . 1 1 43 43 LYS HA H 1 4.451 0.020 . 1 . . . . . 39 LYS HA . 26942 2 279 . 1 1 43 43 LYS HB2 H 1 2.064 0.020 . 2 . . . . . 39 LYS HB2 . 26942 2 280 . 1 1 43 43 LYS HB3 H 1 1.917 0.020 . 2 . . . . . 39 LYS HB3 . 26942 2 281 . 1 1 43 43 LYS HD2 H 1 1.637 0.020 . 1 . . . . . 39 LYS HD2 . 26942 2 282 . 1 1 43 43 LYS C C 13 177.017 0.3 . 1 . . . . . 39 LYS C . 26942 2 283 . 1 1 43 43 LYS CA C 13 56.553 0.3 . 1 . . . . . 39 LYS CA . 26942 2 284 . 1 1 43 43 LYS CB C 13 32.844 0.3 . 1 . . . . . 39 LYS CB . 26942 2 285 . 1 1 43 43 LYS CG C 13 25.093 0.3 . 1 . . . . . 39 LYS CG . 26942 2 286 . 1 1 43 43 LYS CD C 13 29.024 0.3 . 1 . . . . . 39 LYS CD . 26942 2 287 . 1 1 43 43 LYS N N 15 119.943 0.3 . 1 . . . . . 39 LYS N . 26942 2 288 . 1 1 44 44 GLY H H 1 7.949 0.020 . 1 . . . . . 40 GLY H . 26942 2 289 . 1 1 44 44 GLY HA2 H 1 4.171 0.020 . 2 . . . . . 40 GLY HA2 . 26942 2 290 . 1 1 44 44 GLY HA3 H 1 3.910 0.020 . 2 . . . . . 40 GLY HA3 . 26942 2 291 . 1 1 44 44 GLY C C 13 174.601 0.3 . 1 . . . . . 40 GLY C . 26942 2 292 . 1 1 44 44 GLY CA C 13 45.793 0.3 . 1 . . . . . 40 GLY CA . 26942 2 293 . 1 1 44 44 GLY N N 15 107.239 0.3 . 1 . . . . . 40 GLY N . 26942 2 294 . 1 1 45 45 GLU H H 1 7.894 0.020 . 1 . . . . . 41 GLU H . 26942 2 295 . 1 1 45 45 GLU HA H 1 4.630 0.020 . 1 . . . . . 41 GLU HA . 26942 2 296 . 1 1 45 45 GLU C C 13 174.678 0.3 . 1 . . . . . 41 GLU C . 26942 2 297 . 1 1 45 45 GLU CA C 13 55.304 0.3 . 1 . . . . . 41 GLU CA . 26942 2 298 . 1 1 45 45 GLU CB C 13 30.982 0.3 . 1 . . . . . 41 GLU CB . 26942 2 299 . 1 1 45 45 GLU CG C 13 35.789 0.3 . 1 . . . . . 41 GLU CG . 26942 2 300 . 1 1 45 45 GLU N N 15 120.563 0.3 . 1 . . . . . 41 GLU N . 26942 2 301 . 1 1 46 46 SER H H 1 8.211 0.020 . 1 . . . . . 42 SER H . 26942 2 302 . 1 1 46 46 SER HA H 1 4.887 0.020 . 1 . . . . . 42 SER HA . 26942 2 303 . 1 1 46 46 SER HB2 H 1 3.920 0.020 . 1 . . . . . 42 SER HB2 . 26942 2 304 . 1 1 46 46 SER C C 13 173.915 0.3 . 1 . . . . . 42 SER C . 26942 2 305 . 1 1 46 46 SER CA C 13 57.305 0.3 . 1 . . . . . 42 SER CA . 26942 2 306 . 1 1 46 46 SER CB C 13 65.642 0.3 . 1 . . . . . 42 SER CB . 26942 2 307 . 1 1 46 46 SER N N 15 113.330 0.3 . 1 . . . . . 42 SER N . 26942 2 308 . 1 1 47 47 VAL H H 1 8.835 0.020 . 1 . . . . . 43 VAL H . 26942 2 309 . 1 1 47 47 VAL HA H 1 4.230 0.020 . 1 . . . . . 43 VAL HA . 26942 2 310 . 1 1 47 47 VAL HB H 1 1.902 0.020 . 1 . . . . . 43 VAL HB . 26942 2 311 . 1 1 47 47 VAL C C 13 174.023 0.3 . 1 . . . . . 43 VAL C . 26942 2 312 . 1 1 47 47 VAL CA C 13 61.723 0.3 . 1 . . . . . 43 VAL CA . 26942 2 313 . 1 1 47 47 VAL CB C 13 34.976 0.3 . 1 . . . . . 43 VAL CB . 26942 2 314 . 1 1 47 47 VAL CG1 C 13 20.979 0.3 . 1 . . . . . 43 VAL CG1 . 26942 2 315 . 1 1 47 47 VAL CG2 C 13 18.876 0.3 . 1 . . . . . 43 VAL CG2 . 26942 2 316 . 1 1 47 47 VAL N N 15 120.080 0.3 . 1 . . . . . 43 VAL N . 26942 2 317 . 1 1 48 48 GLU H H 1 8.947 0.020 . 1 . . . . . 44 GLU H . 26942 2 318 . 1 1 48 48 GLU HA H 1 4.216 0.020 . 1 . . . . . 44 GLU HA . 26942 2 319 . 1 1 48 48 GLU HB2 H 1 2.047 0.020 . 1 . . . . . 44 GLU HB2 . 26942 2 320 . 1 1 48 48 GLU C C 13 174.478 0.3 . 1 . . . . . 44 GLU C . 26942 2 321 . 1 1 48 48 GLU CA C 13 55.805 0.3 . 1 . . . . . 44 GLU CA . 26942 2 322 . 1 1 48 48 GLU CB C 13 31.820 0.3 . 1 . . . . . 44 GLU CB . 26942 2 323 . 1 1 48 48 GLU CG C 13 36.703 0.3 . 1 . . . . . 44 GLU CG . 26942 2 324 . 1 1 48 48 GLU N N 15 128.684 0.3 . 1 . . . . . 44 GLU N . 26942 2 325 . 1 1 49 49 LEU H H 1 8.797 0.020 . 1 . . . . . 45 LEU H . 26942 2 326 . 1 1 49 49 LEU HA H 1 4.333 0.020 . 1 . . . . . 45 LEU HA . 26942 2 327 . 1 1 49 49 LEU HB2 H 1 1.592 0.020 . 1 . . . . . 45 LEU HB2 . 26942 2 328 . 1 1 49 49 LEU HB3 H 1 1.592 0.020 . 1 . . . . . 45 LEU HB3 . 26942 2 329 . 1 1 49 49 LEU C C 13 176.789 0.3 . 1 . . . . . 45 LEU C . 26942 2 330 . 1 1 49 49 LEU CA C 13 53.123 0.3 . 1 . . . . . 45 LEU CA . 26942 2 331 . 1 1 49 49 LEU CB C 13 42.183 0.3 . 1 . . . . . 45 LEU CB . 26942 2 332 . 1 1 49 49 LEU N N 15 129.261 0.3 . 1 . . . . . 45 LEU N . 26942 2 333 . 1 1 50 50 ILE H H 1 8.862 0.020 . 1 . . . . . 46 ILE H . 26942 2 334 . 1 1 50 50 ILE HA H 1 3.934 0.020 . 1 . . . . . 46 ILE HA . 26942 2 335 . 1 1 50 50 ILE C C 13 177.765 0.3 . 1 . . . . . 46 ILE C . 26942 2 336 . 1 1 50 50 ILE CA C 13 64.111 0.3 . 1 . . . . . 46 ILE CA . 26942 2 337 . 1 1 50 50 ILE CB C 13 42.329 0.3 . 1 . . . . . 46 ILE CB . 26942 2 338 . 1 1 50 50 ILE CG1 C 13 28.001 0.3 . 1 . . . . . 46 ILE CG1 . 26942 2 339 . 1 1 50 50 ILE CG2 C 13 17.241 0.3 . 1 . . . . . 46 ILE CG2 . 26942 2 340 . 1 1 50 50 ILE CD1 C 13 12.326 0.3 . 1 . . . . . 46 ILE CD1 . 26942 2 341 . 1 1 50 50 ILE N N 15 126.021 0.3 . 1 . . . . . 46 ILE N . 26942 2 342 . 1 1 51 51 GLY H H 1 9.039 0.020 . 1 . . . . . 47 GLY H . 26942 2 343 . 1 1 51 51 GLY HA2 H 1 3.992 0.020 . 1 . . . . . 47 GLY HA2 . 26942 2 344 . 1 1 51 51 GLY C C 13 173.717 0.3 . 1 . . . . . 47 GLY C . 26942 2 345 . 1 1 51 51 GLY CA C 13 46.915 0.3 . 1 . . . . . 47 GLY CA . 26942 2 346 . 1 1 51 51 GLY N N 15 118.276 0.3 . 1 . . . . . 47 GLY N . 26942 2 347 . 1 1 52 52 PHE H H 1 8.205 0.020 . 1 . . . . . 48 PHE H . 26942 2 348 . 1 1 52 52 PHE HA H 1 4.401 0.020 . 1 . . . . . 48 PHE HA . 26942 2 349 . 1 1 52 52 PHE HB2 H 1 2.997 0.020 . 1 . . . . . 48 PHE HB2 . 26942 2 350 . 1 1 52 52 PHE C C 13 175.528 0.3 . 1 . . . . . 48 PHE C . 26942 2 351 . 1 1 52 52 PHE CA C 13 60.639 0.3 . 1 . . . . . 48 PHE CA . 26942 2 352 . 1 1 52 52 PHE CB C 13 40.533 0.3 . 1 . . . . . 48 PHE CB . 26942 2 353 . 1 1 52 52 PHE N N 15 123.265 0.3 . 1 . . . . . 48 PHE N . 26942 2 354 . 1 1 53 53 GLY H H 1 8.527 0.020 . 1 . . . . . 49 GLY H . 26942 2 355 . 1 1 53 53 GLY HA2 H 1 3.910 0.020 . 1 . . . . . 49 GLY HA2 . 26942 2 356 . 1 1 53 53 GLY C C 13 170.411 0.3 . 1 . . . . . 49 GLY C . 26942 2 357 . 1 1 53 53 GLY CA C 13 45.788 0.3 . 1 . . . . . 49 GLY CA . 26942 2 358 . 1 1 53 53 GLY N N 15 105.054 0.3 . 1 . . . . . 49 GLY N . 26942 2 359 . 1 1 54 54 LYS H H 1 7.658 0.020 . 1 . . . . . 50 LYS H . 26942 2 360 . 1 1 54 54 LYS HA H 1 4.109 0.020 . 1 . . . . . 50 LYS HA . 26942 2 361 . 1 1 54 54 LYS C C 13 175.555 0.3 . 1 . . . . . 50 LYS C . 26942 2 362 . 1 1 54 54 LYS CA C 13 53.802 0.3 . 1 . . . . . 50 LYS CA . 26942 2 363 . 1 1 54 54 LYS CB C 13 37.553 0.3 . 1 . . . . . 50 LYS CB . 26942 2 364 . 1 1 54 54 LYS N N 15 118.688 0.3 . 1 . . . . . 50 LYS N . 26942 2 365 . 1 1 55 55 PHE H H 1 9.407 0.020 . 1 . . . . . 51 PHE H . 26942 2 366 . 1 1 55 55 PHE HA H 1 4.605 0.020 . 1 . . . . . 51 PHE HA . 26942 2 367 . 1 1 55 55 PHE HB2 H 1 3.140 0.020 . 1 . . . . . 51 PHE HB2 . 26942 2 368 . 1 1 55 55 PHE C C 13 174.522 0.3 . 1 . . . . . 51 PHE C . 26942 2 369 . 1 1 55 55 PHE CA C 13 57.059 0.3 . 1 . . . . . 51 PHE CA . 26942 2 370 . 1 1 55 55 PHE CB C 13 41.912 0.3 . 1 . . . . . 51 PHE CB . 26942 2 371 . 1 1 55 55 PHE N N 15 124.160 0.3 . 1 . . . . . 51 PHE N . 26942 2 372 . 1 1 56 56 GLU H H 1 9.250 0.020 . 1 . . . . . 52 GLU H . 26942 2 373 . 1 1 56 56 GLU HA H 1 4.171 0.020 . 1 . . . . . 52 GLU HA . 26942 2 374 . 1 1 56 56 GLU HB2 H 1 2.236 0.020 . 1 . . . . . 52 GLU HB2 . 26942 2 375 . 1 1 56 56 GLU C C 13 174.069 0.3 . 1 . . . . . 52 GLU C . 26942 2 376 . 1 1 56 56 GLU CA C 13 54.674 0.3 . 1 . . . . . 52 GLU CA . 26942 2 377 . 1 1 56 56 GLU CB C 13 33.689 0.3 . 1 . . . . . 52 GLU CB . 26942 2 378 . 1 1 56 56 GLU CG C 13 34.803 0.3 . 1 . . . . . 52 GLU CG . 26942 2 379 . 1 1 56 56 GLU N N 15 120.101 0.3 . 1 . . . . . 52 GLU N . 26942 2 380 . 1 1 57 57 THR H H 1 8.334 0.020 . 1 . . . . . 53 THR H . 26942 2 381 . 1 1 57 57 THR HA H 1 4.362 0.020 . 1 . . . . . 53 THR HA . 26942 2 382 . 1 1 57 57 THR HB H 1 3.950 0.020 . 1 . . . . . 53 THR HB . 26942 2 383 . 1 1 57 57 THR HG1 H 1 5.164 0.020 . 1 . . . . . 53 THR HG1 . 26942 2 384 . 1 1 57 57 THR HG21 H 1 1.209 0.020 . 1 . . . . . 53 THR HG2 . 26942 2 385 . 1 1 57 57 THR HG22 H 1 1.209 0.020 . 1 . . . . . 53 THR HG2 . 26942 2 386 . 1 1 57 57 THR HG23 H 1 1.209 0.020 . 1 . . . . . 53 THR HG2 . 26942 2 387 . 1 1 57 57 THR C C 13 174.006 0.3 . 1 . . . . . 53 THR C . 26942 2 388 . 1 1 57 57 THR CA C 13 60.564 0.3 . 1 . . . . . 53 THR CA . 26942 2 389 . 1 1 57 57 THR CB C 13 70.927 0.3 . 1 . . . . . 53 THR CB . 26942 2 390 . 1 1 57 57 THR CG2 C 13 23.447 0.3 . 1 . . . . . 53 THR CG2 . 26942 2 391 . 1 1 57 57 THR N N 15 110.771 0.3 . 1 . . . . . 53 THR N . 26942 2 392 . 1 1 58 58 ALA H H 1 8.876 0.020 . 1 . . . . . 54 ALA H . 26942 2 393 . 1 1 58 58 ALA HA H 1 4.303 0.020 . 1 . . . . . 54 ALA HA . 26942 2 394 . 1 1 58 58 ALA HB1 H 1 1.342 0.020 . 1 . . . . . 54 ALA HB . 26942 2 395 . 1 1 58 58 ALA HB2 H 1 1.342 0.020 . 1 . . . . . 54 ALA HB . 26942 2 396 . 1 1 58 58 ALA HB3 H 1 1.342 0.020 . 1 . . . . . 54 ALA HB . 26942 2 397 . 1 1 58 58 ALA C C 13 176.117 0.3 . 1 . . . . . 54 ALA C . 26942 2 398 . 1 1 58 58 ALA CA C 13 50.971 0.3 . 1 . . . . . 54 ALA CA . 26942 2 399 . 1 1 58 58 ALA CB C 13 22.462 0.3 . 1 . . . . . 54 ALA CB . 26942 2 400 . 1 1 58 58 ALA N N 15 124.855 0.3 . 1 . . . . . 54 ALA N . 26942 2 401 . 1 1 59 59 GLU H H 1 8.539 0.020 . 1 . . . . . 55 GLU H . 26942 2 402 . 1 1 59 59 GLU HA H 1 4.251 0.020 . 1 . . . . . 55 GLU HA . 26942 2 403 . 1 1 59 59 GLU HB2 H 1 1.962 0.020 . 1 . . . . . 55 GLU HB2 . 26942 2 404 . 1 1 59 59 GLU HG2 H 1 2.244 0.020 . 1 . . . . . 55 GLU HG2 . 26942 2 405 . 1 1 59 59 GLU C C 13 176.365 0.3 . 1 . . . . . 55 GLU C . 26942 2 406 . 1 1 59 59 GLU CA C 13 56.187 0.3 . 1 . . . . . 55 GLU CA . 26942 2 407 . 1 1 59 59 GLU CB C 13 31.090 0.3 . 1 . . . . . 55 GLU CB . 26942 2 408 . 1 1 59 59 GLU CG C 13 36.521 0.3 . 1 . . . . . 55 GLU CG . 26942 2 409 . 1 1 59 59 GLU N N 15 120.364 0.3 . 1 . . . . . 55 GLU N . 26942 2 410 . 1 1 60 60 GLN H H 1 8.951 0.020 . 1 . . . . . 56 GLN H . 26942 2 411 . 1 1 60 60 GLN HA H 1 4.495 0.020 . 1 . . . . . 56 GLN HA . 26942 2 412 . 1 1 60 60 GLN HB2 H 1 2.089 0.020 . 2 . . . . . 56 GLN HB2 . 26942 2 413 . 1 1 60 60 GLN HB3 H 1 2.011 0.020 . 2 . . . . . 56 GLN HB3 . 26942 2 414 . 1 1 60 60 GLN HG2 H 1 2.354 0.020 . 2 . . . . . 56 GLN HG2 . 26942 2 415 . 1 1 60 60 GLN HG3 H 1 2.271 0.020 . 2 . . . . . 56 GLN HG3 . 26942 2 416 . 1 1 60 60 GLN C C 13 175.462 0.3 . 1 . . . . . 56 GLN C . 26942 2 417 . 1 1 60 60 GLN CA C 13 55.314 0.3 . 1 . . . . . 56 GLN CA . 26942 2 418 . 1 1 60 60 GLN CB C 13 30.794 0.3 . 1 . . . . . 56 GLN CB . 26942 2 419 . 1 1 60 60 GLN CG C 13 33.869 0.3 . 1 . . . . . 56 GLN CG . 26942 2 420 . 1 1 60 60 GLN N N 15 125.159 0.3 . 1 . . . . . 56 GLN N . 26942 2 421 . 1 1 61 61 LYS H H 1 8.570 0.020 . 1 . . . . . 57 LYS H . 26942 2 422 . 1 1 61 61 LYS HA H 1 4.333 0.020 . 1 . . . . . 57 LYS HA . 26942 2 423 . 1 1 61 61 LYS HB2 H 1 1.865 0.020 . 2 . . . . . 57 LYS HB2 . 26942 2 424 . 1 1 61 61 LYS HB3 H 1 1.751 0.020 . 2 . . . . . 57 LYS HB3 . 26942 2 425 . 1 1 61 61 LYS HG2 H 1 1.472 0.020 . 1 . . . . . 57 LYS HG2 . 26942 2 426 . 1 1 61 61 LYS HE2 H 1 3.000 0.020 . 1 . . . . . 57 LYS HE2 . 26942 2 427 . 1 1 61 61 LYS C C 13 177.753 0.3 . 1 . . . . . 57 LYS C . 26942 2 428 . 1 1 61 61 LYS CA C 13 56.195 0.3 . 1 . . . . . 57 LYS CA . 26942 2 429 . 1 1 61 61 LYS CB C 13 33.007 0.3 . 1 . . . . . 57 LYS CB . 26942 2 430 . 1 1 61 61 LYS CG C 13 24.453 0.3 . 1 . . . . . 57 LYS CG . 26942 2 431 . 1 1 61 61 LYS CD C 13 28.567 0.3 . 1 . . . . . 57 LYS CD . 26942 2 432 . 1 1 61 61 LYS CE C 13 42.225 0.3 . 1 . . . . . 57 LYS CE . 26942 2 433 . 1 1 61 61 LYS N N 15 125.568 0.3 . 1 . . . . . 57 LYS N . 26942 2 434 . 1 1 62 62 GLY H H 1 8.931 0.020 . 1 . . . . . 58 GLY H . 26942 2 435 . 1 1 62 62 GLY HA2 H 1 3.981 0.020 . 2 . . . . . 58 GLY HA2 . 26942 2 436 . 1 1 62 62 GLY HA3 H 1 3.806 0.020 . 2 . . . . . 58 GLY HA3 . 26942 2 437 . 1 1 62 62 GLY C C 13 173.869 0.3 . 1 . . . . . 58 GLY C . 26942 2 438 . 1 1 62 62 GLY CA C 13 45.410 0.3 . 1 . . . . . 58 GLY CA . 26942 2 439 . 1 1 62 62 GLY N N 15 111.237 0.3 . 1 . . . . . 58 GLY N . 26942 2 440 . 1 1 63 63 LYS H H 1 8.248 0.020 . 1 . . . . . 59 LYS H . 26942 2 441 . 1 1 63 63 LYS HA H 1 4.325 0.020 . 1 . . . . . 59 LYS HA . 26942 2 442 . 1 1 63 63 LYS HB2 H 1 1.858 0.020 . 2 . . . . . 59 LYS HB2 . 26942 2 443 . 1 1 63 63 LYS HB3 H 1 1.715 0.020 . 2 . . . . . 59 LYS HB3 . 26942 2 444 . 1 1 63 63 LYS HG2 H 1 1.421 0.020 . 1 . . . . . 59 LYS HG2 . 26942 2 445 . 1 1 63 63 LYS HE2 H 1 3.002 0.020 . 1 . . . . . 59 LYS HE2 . 26942 2 446 . 1 1 63 63 LYS C C 13 176.369 0.3 . 1 . . . . . 59 LYS C . 26942 2 447 . 1 1 63 63 LYS CA C 13 56.063 0.3 . 1 . . . . . 59 LYS CA . 26942 2 448 . 1 1 63 63 LYS CB C 13 33.140 0.3 . 1 . . . . . 59 LYS CB . 26942 2 449 . 1 1 63 63 LYS CG C 13 24.362 0.3 . 1 . . . . . 59 LYS CG . 26942 2 450 . 1 1 63 63 LYS CD C 13 29.115 0.3 . 1 . . . . . 59 LYS CD . 26942 2 451 . 1 1 63 63 LYS CE C 13 42.197 0.3 . 1 . . . . . 59 LYS CE . 26942 2 452 . 1 1 63 63 LYS N N 15 120.602 0.3 . 1 . . . . . 59 LYS N . 26942 2 453 . 1 1 64 64 GLU H H 1 8.470 0.020 . 1 . . . . . 60 GLU H . 26942 2 454 . 1 1 64 64 GLU HA H 1 4.518 0.020 . 1 . . . . . 60 GLU HA . 26942 2 455 . 1 1 64 64 GLU HB2 H 1 2.075 0.020 . 2 . . . . . 60 GLU HB2 . 26942 2 456 . 1 1 64 64 GLU HB3 H 1 1.967 0.020 . 2 . . . . . 60 GLU HB3 . 26942 2 457 . 1 1 64 64 GLU HG3 H 1 2.271 0.020 . 1 . . . . . 60 GLU HG3 . 26942 2 458 . 1 1 64 64 GLU C C 13 176.719 0.3 . 1 . . . . . 60 GLU C . 26942 2 459 . 1 1 64 64 GLU CA C 13 56.436 0.3 . 1 . . . . . 60 GLU CA . 26942 2 460 . 1 1 64 64 GLU CB C 13 30.858 0.3 . 1 . . . . . 60 GLU CB . 26942 2 461 . 1 1 64 64 GLU CG C 13 36.409 0.3 . 1 . . . . . 60 GLU CG . 26942 2 462 . 1 1 64 64 GLU N N 15 121.608 0.3 . 1 . . . . . 60 GLU N . 26942 2 463 . 1 1 65 65 GLY H H 1 8.265 0.020 . 1 . . . . . 61 GLY H . 26942 2 464 . 1 1 65 65 GLY HA2 H 1 3.969 0.020 . 2 . . . . . 61 GLY HA2 . 26942 2 465 . 1 1 65 65 GLY HA3 H 1 3.754 0.020 . 2 . . . . . 61 GLY HA3 . 26942 2 466 . 1 1 65 65 GLY C C 13 173.077 0.3 . 1 . . . . . 61 GLY C . 26942 2 467 . 1 1 65 65 GLY CA C 13 45.145 0.3 . 1 . . . . . 61 GLY CA . 26942 2 468 . 1 1 65 65 GLY N N 15 110.361 0.3 . 1 . . . . . 61 GLY N . 26942 2 469 . 1 1 66 66 LYS H H 1 8.157 0.020 . 1 . . . . . 62 LYS H . 26942 2 470 . 1 1 66 66 LYS HA H 1 4.378 0.020 . 1 . . . . . 62 LYS HA . 26942 2 471 . 1 1 66 66 LYS HB2 H 1 1.806 0.020 . 2 . . . . . 62 LYS HB2 . 26942 2 472 . 1 1 66 66 LYS HB3 H 1 1.709 0.020 . 2 . . . . . 62 LYS HB3 . 26942 2 473 . 1 1 66 66 LYS HG2 H 1 1.386 0.020 . 1 . . . . . 62 LYS HG2 . 26942 2 474 . 1 1 66 66 LYS HE2 H 1 3.001 0.020 . 1 . . . . . 62 LYS HE2 . 26942 2 475 . 1 1 66 66 LYS C C 13 176.790 0.3 . 1 . . . . . 62 LYS C . 26942 2 476 . 1 1 66 66 LYS CA C 13 55.933 0.3 . 1 . . . . . 62 LYS CA . 26942 2 477 . 1 1 66 66 LYS CB C 13 33.448 0.3 . 1 . . . . . 62 LYS CB . 26942 2 478 . 1 1 66 66 LYS CG C 13 24.676 0.3 . 1 . . . . . 62 LYS CG . 26942 2 479 . 1 1 66 66 LYS CD C 13 29.043 0.3 . 1 . . . . . 62 LYS CD . 26942 2 480 . 1 1 66 66 LYS CE C 13 42.253 0.3 . 1 . . . . . 62 LYS CE . 26942 2 481 . 1 1 66 66 LYS N N 15 120.112 0.3 . 1 . . . . . 62 LYS N . 26942 2 482 . 1 1 67 67 VAL H H 1 8.408 0.020 . 1 . . . . . 63 VAL H . 26942 2 483 . 1 1 67 67 VAL HA H 1 4.388 0.020 . 1 . . . . . 63 VAL HA . 26942 2 484 . 1 1 67 67 VAL HB H 1 2.058 0.020 . 1 . . . . . 63 VAL HB . 26942 2 485 . 1 1 67 67 VAL HG11 H 1 0.962 0.020 . 1 . . . . . 63 VAL HG1 . 26942 2 486 . 1 1 67 67 VAL HG12 H 1 0.962 0.020 . 1 . . . . . 63 VAL HG1 . 26942 2 487 . 1 1 67 67 VAL HG13 H 1 0.962 0.020 . 1 . . . . . 63 VAL HG1 . 26942 2 488 . 1 1 67 67 VAL C C 13 174.706 0.3 . 1 . . . . . 63 VAL C . 26942 2 489 . 1 1 67 67 VAL CA C 13 60.309 0.3 . 1 . . . . . 63 VAL CA . 26942 2 490 . 1 1 67 67 VAL N N 15 124.298 0.3 . 1 . . . . . 63 VAL N . 26942 2 491 . 1 1 68 68 PRO CA C 13 64.070 0.3 . 1 . . . . . 64 PRO CA . 26942 2 492 . 1 1 68 68 PRO CB C 13 31.854 0.3 . 1 . . . . . 64 PRO CB . 26942 2 493 . 1 1 68 68 PRO CG C 13 27.539 0.3 . 1 . . . . . 64 PRO CG . 26942 2 494 . 1 1 68 68 PRO CD C 13 51.367 0.3 . 1 . . . . . 64 PRO CD . 26942 2 495 . 1 1 69 69 GLY H H 1 8.610 0.020 . 1 . . . . . 65 GLY H . 26942 2 496 . 1 1 69 69 GLY HA2 H 1 3.980 0.020 . 1 . . . . . 65 GLY HA2 . 26942 2 497 . 1 1 69 69 GLY C C 13 174.380 0.3 . 1 . . . . . 65 GLY C . 26942 2 498 . 1 1 69 69 GLY CA C 13 45.662 0.3 . 1 . . . . . 65 GLY CA . 26942 2 499 . 1 1 69 69 GLY N N 15 110.718 0.3 . 1 . . . . . 65 GLY N . 26942 2 500 . 1 1 70 70 SER H H 1 8.077 0.020 . 1 . . . . . 66 SER H . 26942 2 501 . 1 1 70 70 SER HA H 1 4.454 0.020 . 1 . . . . . 66 SER HA . 26942 2 502 . 1 1 70 70 SER HB2 H 1 3.934 0.020 . 2 . . . . . 66 SER HB2 . 26942 2 503 . 1 1 70 70 SER HB3 H 1 3.877 0.020 . 2 . . . . . 66 SER HB3 . 26942 2 504 . 1 1 70 70 SER C C 13 174.053 0.3 . 1 . . . . . 66 SER C . 26942 2 505 . 1 1 70 70 SER CA C 13 57.934 0.3 . 1 . . . . . 66 SER CA . 26942 2 506 . 1 1 70 70 SER CB C 13 64.732 0.3 . 1 . . . . . 66 SER CB . 26942 2 507 . 1 1 70 70 SER N N 15 114.831 0.3 . 1 . . . . . 66 SER N . 26942 2 508 . 1 1 71 71 ASP H H 1 8.423 0.020 . 1 . . . . . 67 ASP H . 26942 2 509 . 1 1 71 71 ASP HA H 1 4.623 0.020 . 1 . . . . . 67 ASP HA . 26942 2 510 . 1 1 71 71 ASP HB2 H 1 2.707 0.020 . 1 . . . . . 67 ASP HB2 . 26942 2 511 . 1 1 71 71 ASP C C 13 176.564 0.3 . 1 . . . . . 67 ASP C . 26942 2 512 . 1 1 71 71 ASP CA C 13 54.304 0.3 . 1 . . . . . 67 ASP CA . 26942 2 513 . 1 1 71 71 ASP CB C 13 41.078 0.3 . 1 . . . . . 67 ASP CB . 26942 2 514 . 1 1 71 71 ASP N N 15 121.257 0.3 . 1 . . . . . 67 ASP N . 26942 2 515 . 1 1 72 72 LYS H H 1 8.173 0.020 . 1 . . . . . 68 LYS H . 26942 2 516 . 1 1 72 72 LYS HA H 1 4.346 0.020 . 1 . . . . . 68 LYS HA . 26942 2 517 . 1 1 72 72 LYS HB2 H 1 1.816 0.020 . 2 . . . . . 68 LYS HB2 . 26942 2 518 . 1 1 72 72 LYS HB3 H 1 1.687 0.020 . 2 . . . . . 68 LYS HB3 . 26942 2 519 . 1 1 72 72 LYS HG2 H 1 1.396 0.020 . 1 . . . . . 68 LYS HG2 . 26942 2 520 . 1 1 72 72 LYS HE2 H 1 3.011 0.020 . 1 . . . . . 68 LYS HE2 . 26942 2 521 . 1 1 72 72 LYS C C 13 176.534 0.3 . 1 . . . . . 68 LYS C . 26942 2 522 . 1 1 72 72 LYS CA C 13 56.558 0.3 . 1 . . . . . 68 LYS CA . 26942 2 523 . 1 1 72 72 LYS CB C 13 32.743 0.3 . 1 . . . . . 68 LYS CB . 26942 2 524 . 1 1 72 72 LYS CG C 13 24.608 0.3 . 1 . . . . . 68 LYS CG . 26942 2 525 . 1 1 72 72 LYS CD C 13 28.909 0.3 . 1 . . . . . 68 LYS CD . 26942 2 526 . 1 1 72 72 LYS CE C 13 42.244 0.3 . 1 . . . . . 68 LYS CE . 26942 2 527 . 1 1 72 72 LYS N N 15 120.687 0.3 . 1 . . . . . 68 LYS N . 26942 2 528 . 1 1 73 73 THR H H 1 8.139 0.020 . 1 . . . . . 69 THR H . 26942 2 529 . 1 1 73 73 THR HA H 1 4.569 0.020 . 1 . . . . . 69 THR HA . 26942 2 530 . 1 1 73 73 THR HB H 1 4.282 0.020 . 1 . . . . . 69 THR HB . 26942 2 531 . 1 1 73 73 THR HG21 H 1 1.149 0.020 . 1 . . . . . 69 THR HG2 . 26942 2 532 . 1 1 73 73 THR HG22 H 1 1.149 0.020 . 1 . . . . . 69 THR HG2 . 26942 2 533 . 1 1 73 73 THR HG23 H 1 1.149 0.020 . 1 . . . . . 69 THR HG2 . 26942 2 534 . 1 1 73 73 THR C C 13 174.366 0.3 . 1 . . . . . 69 THR C . 26942 2 535 . 1 1 73 73 THR CA C 13 61.820 0.3 . 1 . . . . . 69 THR CA . 26942 2 536 . 1 1 73 73 THR CB C 13 70.245 0.3 . 1 . . . . . 69 THR CB . 26942 2 537 . 1 1 73 73 THR CG2 C 13 21.824 0.3 . 1 . . . . . 69 THR CG2 . 26942 2 538 . 1 1 73 73 THR N N 15 114.117 0.3 . 1 . . . . . 69 THR N . 26942 2 539 . 1 1 74 74 TYR H H 1 8.300 0.020 . 1 . . . . . 70 TYR H . 26942 2 540 . 1 1 74 74 TYR HA H 1 4.303 0.020 . 1 . . . . . 70 TYR HA . 26942 2 541 . 1 1 74 74 TYR HB2 H 1 3.058 0.020 . 2 . . . . . 70 TYR HB2 . 26942 2 542 . 1 1 74 74 TYR HB3 H 1 2.973 0.020 . 2 . . . . . 70 TYR HB3 . 26942 2 543 . 1 1 74 74 TYR C C 13 174.740 0.3 . 1 . . . . . 70 TYR C . 26942 2 544 . 1 1 74 74 TYR CA C 13 57.430 0.3 . 1 . . . . . 70 TYR CA . 26942 2 545 . 1 1 74 74 TYR CB C 13 39.593 0.3 . 1 . . . . . 70 TYR CB . 26942 2 546 . 1 1 74 74 TYR N N 15 121.605 0.3 . 1 . . . . . 70 TYR N . 26942 2 547 . 1 1 75 75 LYS H H 1 8.279 0.020 . 1 . . . . . 71 LYS H . 26942 2 548 . 1 1 75 75 LYS HA H 1 4.391 0.020 . 1 . . . . . 71 LYS HA . 26942 2 549 . 1 1 75 75 LYS HB2 H 1 1.809 0.020 . 2 . . . . . 71 LYS HB2 . 26942 2 550 . 1 1 75 75 LYS HB3 H 1 1.682 0.020 . 2 . . . . . 71 LYS HB3 . 26942 2 551 . 1 1 75 75 LYS HG2 H 1 1.364 0.020 . 1 . . . . . 71 LYS HG2 . 26942 2 552 . 1 1 75 75 LYS HE2 H 1 2.993 0.020 . 1 . . . . . 71 LYS HE2 . 26942 2 553 . 1 1 75 75 LYS C C 13 176.549 0.3 . 1 . . . . . 71 LYS C . 26942 2 554 . 1 1 75 75 LYS CA C 13 56.040 0.3 . 1 . . . . . 71 LYS CA . 26942 2 555 . 1 1 75 75 LYS CB C 13 33.871 0.3 . 1 . . . . . 71 LYS CB . 26942 2 556 . 1 1 75 75 LYS CG C 13 24.582 0.3 . 1 . . . . . 71 LYS CG . 26942 2 557 . 1 1 75 75 LYS CD C 13 29.085 0.3 . 1 . . . . . 71 LYS CD . 26942 2 558 . 1 1 75 75 LYS N N 15 122.716 0.3 . 1 . . . . . 71 LYS N . 26942 2 559 . 1 1 76 76 THR H H 1 8.329 0.020 . 1 . . . . . 72 THR H . 26942 2 560 . 1 1 76 76 THR HA H 1 4.435 0.020 . 1 . . . . . 72 THR HA . 26942 2 561 . 1 1 76 76 THR HB H 1 4.317 0.020 . 1 . . . . . 72 THR HB . 26942 2 562 . 1 1 76 76 THR HG21 H 1 1.245 0.020 . 1 . . . . . 72 THR HG2 . 26942 2 563 . 1 1 76 76 THR HG22 H 1 1.245 0.020 . 1 . . . . . 72 THR HG2 . 26942 2 564 . 1 1 76 76 THR HG23 H 1 1.245 0.020 . 1 . . . . . 72 THR HG2 . 26942 2 565 . 1 1 76 76 THR C C 13 174.364 0.3 . 1 . . . . . 72 THR C . 26942 2 566 . 1 1 76 76 THR CA C 13 61.617 0.3 . 1 . . . . . 72 THR CA . 26942 2 567 . 1 1 76 76 THR CB C 13 70.205 0.3 . 1 . . . . . 72 THR CB . 26942 2 568 . 1 1 76 76 THR CG2 C 13 22.156 0.3 . 1 . . . . . 72 THR CG2 . 26942 2 569 . 1 1 76 76 THR N N 15 116.397 0.3 . 1 . . . . . 72 THR N . 26942 2 570 . 1 1 77 77 GLU H H 1 8.473 0.020 . 1 . . . . . 73 GLU H . 26942 2 571 . 1 1 77 77 GLU HA H 1 4.282 0.020 . 1 . . . . . 73 GLU HA . 26942 2 572 . 1 1 77 77 GLU HB2 H 1 2.069 0.020 . 2 . . . . . 73 GLU HB2 . 26942 2 573 . 1 1 77 77 GLU HB3 H 1 1.962 0.020 . 2 . . . . . 73 GLU HB3 . 26942 2 574 . 1 1 77 77 GLU HG3 H 1 2.271 0.020 . 1 . . . . . 73 GLU HG3 . 26942 2 575 . 1 1 77 77 GLU C C 13 176.223 0.3 . 1 . . . . . 73 GLU C . 26942 2 576 . 1 1 77 77 GLU CA C 13 57.112 0.3 . 1 . . . . . 73 GLU CA . 26942 2 577 . 1 1 77 77 GLU CB C 13 31.987 0.3 . 1 . . . . . 73 GLU CB . 26942 2 578 . 1 1 77 77 GLU N N 15 121.577 0.3 . 1 . . . . . 73 GLU N . 26942 2 579 . 1 1 78 78 ASP H H 1 8.516 0.020 . 1 . . . . . 74 ASP H . 26942 2 580 . 1 1 78 78 ASP HA H 1 4.516 0.020 . 1 . . . . . 74 ASP HA . 26942 2 581 . 1 1 78 78 ASP C C 13 176.676 0.3 . 1 . . . . . 74 ASP C . 26942 2 582 . 1 1 78 78 ASP CA C 13 56.554 0.3 . 1 . . . . . 74 ASP CA . 26942 2 583 . 1 1 78 78 ASP CB C 13 32.120 0.3 . 1 . . . . . 74 ASP CB . 26942 2 584 . 1 1 78 78 ASP N N 15 121.460 0.3 . 1 . . . . . 74 ASP N . 26942 2 585 . 1 1 79 79 LYS H H 1 8.272 0.020 . 1 . . . . . 75 LYS H . 26942 2 586 . 1 1 79 79 LYS HA H 1 4.286 0.020 . 1 . . . . . 75 LYS HA . 26942 2 587 . 1 1 79 79 LYS HB2 H 1 2.339 0.020 . 2 . . . . . 75 LYS HB2 . 26942 2 588 . 1 1 79 79 LYS HB3 H 1 2.233 0.020 . 2 . . . . . 75 LYS HB3 . 26942 2 589 . 1 1 79 79 LYS HG2 H 1 1.967 0.020 . 1 . . . . . 75 LYS HG2 . 26942 2 590 . 1 1 79 79 LYS HE2 H 1 3.180 0.020 . 1 . . . . . 75 LYS HE2 . 26942 2 591 . 1 1 79 79 LYS C C 13 176.563 0.3 . 1 . . . . . 75 LYS C . 26942 2 592 . 1 1 79 79 LYS CA C 13 56.233 0.3 . 1 . . . . . 75 LYS CA . 26942 2 593 . 1 1 79 79 LYS CB C 13 32.631 0.3 . 1 . . . . . 75 LYS CB . 26942 2 594 . 1 1 79 79 LYS CG C 13 24.851 0.3 . 1 . . . . . 75 LYS CG . 26942 2 595 . 1 1 79 79 LYS CD C 13 28.883 0.3 . 1 . . . . . 75 LYS CD . 26942 2 596 . 1 1 79 79 LYS N N 15 121.483 0.3 . 1 . . . . . 75 LYS N . 26942 2 597 . 1 1 80 80 ARG H H 1 8.098 0.020 . 1 . . . . . 76 ARG H . 26942 2 598 . 1 1 80 80 ARG HA H 1 4.280 0.020 . 1 . . . . . 76 ARG HA . 26942 2 599 . 1 1 80 80 ARG HB2 H 1 1.801 0.020 . 2 . . . . . 76 ARG HB2 . 26942 2 600 . 1 1 80 80 ARG HB3 H 1 1.642 0.020 . 2 . . . . . 76 ARG HB3 . 26942 2 601 . 1 1 80 80 ARG HD2 H 1 3.183 0.020 . 1 . . . . . 76 ARG HD2 . 26942 2 602 . 1 1 80 80 ARG C C 13 175.301 0.3 . 1 . . . . . 76 ARG C . 26942 2 603 . 1 1 80 80 ARG CA C 13 56.681 0.3 . 1 . . . . . 76 ARG CA . 26942 2 604 . 1 1 80 80 ARG CB C 13 30.778 0.3 . 1 . . . . . 76 ARG CB . 26942 2 605 . 1 1 80 80 ARG CG C 13 27.001 0.3 . 1 . . . . . 76 ARG CG . 26942 2 606 . 1 1 80 80 ARG N N 15 121.805 0.3 . 1 . . . . . 76 ARG N . 26942 2 607 . 1 1 81 81 VAL H H 1 7.808 0.020 . 1 . . . . . 77 VAL H . 26942 2 608 . 1 1 81 81 VAL HA H 1 4.264 0.020 . 1 . . . . . 77 VAL HA . 26942 2 609 . 1 1 81 81 VAL HB H 1 2.032 0.020 . 1 . . . . . 77 VAL HB . 26942 2 610 . 1 1 81 81 VAL HG11 H 1 0.912 0.020 . 1 . . . . . 77 VAL HG1 . 26942 2 611 . 1 1 81 81 VAL HG12 H 1 0.912 0.020 . 1 . . . . . 77 VAL HG1 . 26942 2 612 . 1 1 81 81 VAL HG13 H 1 0.912 0.020 . 1 . . . . . 77 VAL HG1 . 26942 2 613 . 1 1 81 81 VAL C C 13 174.749 0.3 . 1 . . . . . 77 VAL C . 26942 2 614 . 1 1 81 81 VAL CA C 13 59.188 0.3 . 1 . . . . . 77 VAL CA . 26942 2 615 . 1 1 81 81 VAL N N 15 119.411 0.3 . 1 . . . . . 77 VAL N . 26942 2 616 . 1 1 82 82 PRO CA C 13 61.705 0.3 . 1 . . . . . 78 PRO CA . 26942 2 617 . 1 1 82 82 PRO CB C 13 32.547 0.3 . 1 . . . . . 78 PRO CB . 26942 2 618 . 1 1 82 82 PRO CG C 13 27.461 0.3 . 1 . . . . . 78 PRO CG . 26942 2 619 . 1 1 82 82 PRO CD C 13 50.589 0.3 . 1 . . . . . 78 PRO CD . 26942 2 620 . 1 1 83 83 LYS H H 1 9.139 0.020 . 1 . . . . . 79 LYS H . 26942 2 621 . 1 1 83 83 LYS HA H 1 4.239 0.020 . 1 . . . . . 79 LYS HA . 26942 2 622 . 1 1 83 83 LYS HB2 H 1 1.698 0.020 . 1 . . . . . 79 LYS HB2 . 26942 2 623 . 1 1 83 83 LYS HG2 H 1 1.364 0.020 . 1 . . . . . 79 LYS HG2 . 26942 2 624 . 1 1 83 83 LYS C C 13 174.084 0.3 . 1 . . . . . 79 LYS C . 26942 2 625 . 1 1 83 83 LYS CA C 13 55.433 0.3 . 1 . . . . . 79 LYS CA . 26942 2 626 . 1 1 83 83 LYS CB C 13 36.730 0.3 . 1 . . . . . 79 LYS CB . 26942 2 627 . 1 1 83 83 LYS N N 15 119.910 0.3 . 1 . . . . . 79 LYS N . 26942 2 628 . 1 1 84 84 PHE H H 1 8.640 0.020 . 1 . . . . . 80 PHE H . 26942 2 629 . 1 1 84 84 PHE HA H 1 4.686 0.020 . 1 . . . . . 80 PHE HA . 26942 2 630 . 1 1 84 84 PHE C C 13 174.156 0.3 . 1 . . . . . 80 PHE C . 26942 2 631 . 1 1 84 84 PHE CA C 13 55.205 0.3 . 1 . . . . . 80 PHE CA . 26942 2 632 . 1 1 84 84 PHE CB C 13 43.361 0.3 . 1 . . . . . 80 PHE CB . 26942 2 633 . 1 1 84 84 PHE N N 15 121.357 0.3 . 1 . . . . . 80 PHE N . 26942 2 634 . 1 1 85 85 LYS H H 1 8.542 0.020 . 1 . . . . . 81 LYS H . 26942 2 635 . 1 1 85 85 LYS HA H 1 4.557 0.020 . 1 . . . . . 81 LYS HA . 26942 2 636 . 1 1 85 85 LYS HB2 H 1 1.587 0.020 . 1 . . . . . 81 LYS HB2 . 26942 2 637 . 1 1 85 85 LYS HG2 H 1 1.265 0.020 . 1 . . . . . 81 LYS HG2 . 26942 2 638 . 1 1 85 85 LYS C C 13 173.526 0.3 . 1 . . . . . 81 LYS C . 26942 2 639 . 1 1 85 85 LYS CA C 13 51.798 0.3 . 1 . . . . . 81 LYS CA . 26942 2 640 . 1 1 85 85 LYS N N 15 129.322 0.3 . 1 . . . . . 81 LYS N . 26942 2 641 . 1 1 86 86 PRO CA C 13 62.921 0.3 . 1 . . . . . 82 PRO CA . 26942 2 642 . 1 1 86 86 PRO CB C 13 33.309 0.3 . 1 . . . . . 82 PRO CB . 26942 2 643 . 1 1 87 87 GLY H H 1 8.183 0.020 . 1 . . . . . 83 GLY H . 26942 2 644 . 1 1 87 87 GLY HA2 H 1 4.474 0.020 . 1 . . . . . 83 GLY HA2 . 26942 2 645 . 1 1 87 87 GLY C C 13 174.300 0.3 . 1 . . . . . 83 GLY C . 26942 2 646 . 1 1 87 87 GLY CA C 13 43.511 0.3 . 1 . . . . . 83 GLY CA . 26942 2 647 . 1 1 87 87 GLY N N 15 111.669 0.3 . 1 . . . . . 83 GLY N . 26942 2 648 . 1 1 88 88 LYS H H 1 8.500 0.020 . 1 . . . . . 84 LYS H . 26942 2 649 . 1 1 88 88 LYS HA H 1 4.367 0.020 . 1 . . . . . 84 LYS HA . 26942 2 650 . 1 1 88 88 LYS HB2 H 1 3.882 0.020 . 1 . . . . . 84 LYS HB2 . 26942 2 651 . 1 1 88 88 LYS HB3 H 1 3.882 0.020 . 1 . . . . . 84 LYS HB3 . 26942 2 652 . 1 1 88 88 LYS C C 13 179.162 0.3 . 1 . . . . . 84 LYS C . 26942 2 653 . 1 1 88 88 LYS CA C 13 60.446 0.3 . 1 . . . . . 84 LYS CA . 26942 2 654 . 1 1 88 88 LYS CB C 13 33.382 0.3 . 1 . . . . . 84 LYS CB . 26942 2 655 . 1 1 88 88 LYS CG C 13 24.747 0.3 . 1 . . . . . 84 LYS CG . 26942 2 656 . 1 1 88 88 LYS CD C 13 29.861 0.3 . 1 . . . . . 84 LYS CD . 26942 2 657 . 1 1 88 88 LYS N N 15 117.650 0.3 . 1 . . . . . 84 LYS N . 26942 2 658 . 1 1 89 89 THR H H 1 8.528 0.020 . 1 . . . . . 85 THR H . 26942 2 659 . 1 1 89 89 THR C C 13 176.139 0.3 . 1 . . . . . 85 THR C . 26942 2 660 . 1 1 89 89 THR CA C 13 66.081 0.3 . 1 . . . . . 85 THR CA . 26942 2 661 . 1 1 89 89 THR CB C 13 68.084 0.3 . 1 . . . . . 85 THR CB . 26942 2 662 . 1 1 89 89 THR CG2 C 13 22.821 0.3 . 1 . . . . . 85 THR CG2 . 26942 2 663 . 1 1 89 89 THR N N 15 116.549 0.3 . 1 . . . . . 85 THR N . 26942 2 664 . 1 1 90 90 LEU H H 1 7.373 0.020 . 1 . . . . . 86 LEU H . 26942 2 665 . 1 1 90 90 LEU HA H 1 4.378 0.020 . 1 . . . . . 86 LEU HA . 26942 2 666 . 1 1 90 90 LEU C C 13 178.292 0.3 . 1 . . . . . 86 LEU C . 26942 2 667 . 1 1 90 90 LEU CA C 13 58.706 0.3 . 1 . . . . . 86 LEU CA . 26942 2 668 . 1 1 90 90 LEU CB C 13 32.512 0.3 . 1 . . . . . 86 LEU CB . 26942 2 669 . 1 1 90 90 LEU N N 15 122.607 0.3 . 1 . . . . . 86 LEU N . 26942 2 670 . 1 1 91 91 LYS H H 1 8.214 0.020 . 1 . . . . . 87 LYS H . 26942 2 671 . 1 1 91 91 LYS HA H 1 4.260 0.020 . 1 . . . . . 87 LYS HA . 26942 2 672 . 1 1 91 91 LYS HB2 H 1 1.235 0.020 . 1 . . . . . 87 LYS HB2 . 26942 2 673 . 1 1 91 91 LYS HB3 H 1 1.235 0.020 . 1 . . . . . 87 LYS HB3 . 26942 2 674 . 1 1 91 91 LYS C C 13 178.840 0.3 . 1 . . . . . 87 LYS C . 26942 2 675 . 1 1 91 91 LYS CA C 13 60.949 0.3 . 1 . . . . . 87 LYS CA . 26942 2 676 . 1 1 91 91 LYS CB C 13 32.917 0.3 . 1 . . . . . 87 LYS CB . 26942 2 677 . 1 1 91 91 LYS CD C 13 29.330 0.3 . 1 . . . . . 87 LYS CD . 26942 2 678 . 1 1 91 91 LYS N N 15 114.736 0.3 . 1 . . . . . 87 LYS N . 26942 2 679 . 1 1 92 92 GLN H H 1 7.988 0.020 . 1 . . . . . 88 GLN H . 26942 2 680 . 1 1 92 92 GLN HA H 1 4.112 0.020 . 1 . . . . . 88 GLN HA . 26942 2 681 . 1 1 92 92 GLN HB2 H 1 2.063 0.020 . 1 . . . . . 88 GLN HB2 . 26942 2 682 . 1 1 92 92 GLN C C 13 178.221 0.3 . 1 . . . . . 88 GLN C . 26942 2 683 . 1 1 92 92 GLN CA C 13 59.398 0.3 . 1 . . . . . 88 GLN CA . 26942 2 684 . 1 1 92 92 GLN CB C 13 28.305 0.3 . 1 . . . . . 88 GLN CB . 26942 2 685 . 1 1 92 92 GLN CG C 13 33.885 0.3 . 1 . . . . . 88 GLN CG . 26942 2 686 . 1 1 92 92 GLN N N 15 119.756 0.3 . 1 . . . . . 88 GLN N . 26942 2 687 . 1 1 93 93 LYS H H 1 8.369 0.020 . 1 . . . . . 89 LYS H . 26942 2 688 . 1 1 93 93 LYS HA H 1 4.318 0.020 . 1 . . . . . 89 LYS HA . 26942 2 689 . 1 1 93 93 LYS HB2 H 1 1.816 0.020 . 1 . . . . . 89 LYS HB2 . 26942 2 690 . 1 1 93 93 LYS HG2 H 1 1.440 0.020 . 1 . . . . . 89 LYS HG2 . 26942 2 691 . 1 1 93 93 LYS HD2 H 1 1.698 0.020 . 1 . . . . . 89 LYS HD2 . 26942 2 692 . 1 1 93 93 LYS C C 13 179.596 0.3 . 1 . . . . . 89 LYS C . 26942 2 693 . 1 1 93 93 LYS CA C 13 58.939 0.3 . 1 . . . . . 89 LYS CA . 26942 2 694 . 1 1 93 93 LYS CB C 13 32.511 0.3 . 1 . . . . . 89 LYS CB . 26942 2 695 . 1 1 93 93 LYS CG C 13 25.477 0.3 . 1 . . . . . 89 LYS CG . 26942 2 696 . 1 1 93 93 LYS N N 15 118.185 0.3 . 1 . . . . . 89 LYS N . 26942 2 697 . 1 1 94 94 VAL H H 1 7.794 0.020 . 1 . . . . . 90 VAL H . 26942 2 698 . 1 1 94 94 VAL HA H 1 4.112 0.020 . 1 . . . . . 90 VAL HA . 26942 2 699 . 1 1 94 94 VAL HB H 1 2.093 0.020 . 1 . . . . . 90 VAL HB . 26942 2 700 . 1 1 94 94 VAL HG11 H 1 0.966 0.020 . 1 . . . . . 90 VAL HG1 . 26942 2 701 . 1 1 94 94 VAL HG12 H 1 0.966 0.020 . 1 . . . . . 90 VAL HG1 . 26942 2 702 . 1 1 94 94 VAL HG13 H 1 0.966 0.020 . 1 . . . . . 90 VAL HG1 . 26942 2 703 . 1 1 94 94 VAL C C 13 177.569 0.3 . 1 . . . . . 90 VAL C . 26942 2 704 . 1 1 94 94 VAL CA C 13 65.926 0.3 . 1 . . . . . 90 VAL CA . 26942 2 705 . 1 1 94 94 VAL CB C 13 32.909 0.3 . 1 . . . . . 90 VAL CB . 26942 2 706 . 1 1 94 94 VAL CG1 C 13 21.751 0.3 . 1 . . . . . 90 VAL CG1 . 26942 2 707 . 1 1 94 94 VAL N N 15 116.478 0.3 . 1 . . . . . 90 VAL N . 26942 2 708 . 1 1 95 95 GLU H H 1 8.259 0.020 . 1 . . . . . 91 GLU H . 26942 2 709 . 1 1 95 95 GLU HA H 1 4.318 0.020 . 1 . . . . . 91 GLU HA . 26942 2 710 . 1 1 95 95 GLU HB2 H 1 1.835 0.020 . 2 . . . . . 91 GLU HB2 . 26942 2 711 . 1 1 95 95 GLU HB3 H 1 1.717 0.020 . 2 . . . . . 91 GLU HB3 . 26942 2 712 . 1 1 95 95 GLU HG2 H 1 2.279 0.020 . 1 . . . . . 91 GLU HG2 . 26942 2 713 . 1 1 95 95 GLU C C 13 178.561 0.3 . 1 . . . . . 91 GLU C . 26942 2 714 . 1 1 95 95 GLU CA C 13 59.181 0.3 . 1 . . . . . 91 GLU CA . 26942 2 715 . 1 1 95 95 GLU CB C 13 30.053 0.3 . 1 . . . . . 91 GLU CB . 26942 2 716 . 1 1 95 95 GLU CG C 13 36.629 0.3 . 1 . . . . . 91 GLU CG . 26942 2 717 . 1 1 95 95 GLU N N 15 120.805 0.3 . 1 . . . . . 91 GLU N . 26942 2 718 . 1 1 96 96 GLU H H 1 8.168 0.020 . 1 . . . . . 92 GLU H . 26942 2 719 . 1 1 96 96 GLU HA H 1 4.274 0.020 . 1 . . . . . 92 GLU HA . 26942 2 720 . 1 1 96 96 GLU HB2 H 1 2.083 0.020 . 2 . . . . . 92 GLU HB2 . 26942 2 721 . 1 1 96 96 GLU HB3 H 1 1.979 0.020 . 2 . . . . . 92 GLU HB3 . 26942 2 722 . 1 1 96 96 GLU HG2 H 1 2.290 0.020 . 1 . . . . . 92 GLU HG2 . 26942 2 723 . 1 1 96 96 GLU C C 13 177.796 0.3 . 1 . . . . . 92 GLU C . 26942 2 724 . 1 1 96 96 GLU CA C 13 57.650 0.3 . 1 . . . . . 92 GLU CA . 26942 2 725 . 1 1 96 96 GLU CB C 13 30.186 0.3 . 1 . . . . . 92 GLU CB . 26942 2 726 . 1 1 96 96 GLU CG C 13 36.695 0.3 . 1 . . . . . 92 GLU CG . 26942 2 727 . 1 1 96 96 GLU N N 15 117.196 0.3 . 1 . . . . . 92 GLU N . 26942 2 728 . 1 1 97 97 GLY H H 1 7.866 0.020 . 1 . . . . . 93 GLY H . 26942 2 729 . 1 1 97 97 GLY HA2 H 1 3.961 0.020 . 1 . . . . . 93 GLY HA2 . 26942 2 730 . 1 1 97 97 GLY HA3 H 1 3.961 0.020 . 1 . . . . . 93 GLY HA3 . 26942 2 731 . 1 1 97 97 GLY C C 13 173.346 0.3 . 1 . . . . . 93 GLY C . 26942 2 732 . 1 1 97 97 GLY CA C 13 46.059 0.3 . 1 . . . . . 93 GLY CA . 26942 2 733 . 1 1 97 97 GLY N N 15 108.062 0.3 . 1 . . . . . 93 GLY N . 26942 2 734 . 1 1 98 98 LYS H H 1 7.662 0.020 . 1 . . . . . 94 LYS H . 26942 2 735 . 1 1 98 98 LYS HA H 1 4.200 0.020 . 1 . . . . . 94 LYS HA . 26942 2 736 . 1 1 98 98 LYS HB2 H 1 1.858 0.020 . 2 . . . . . 94 LYS HB2 . 26942 2 737 . 1 1 98 98 LYS HB3 H 1 1.696 0.020 . 2 . . . . . 94 LYS HB3 . 26942 2 738 . 1 1 98 98 LYS HG2 H 1 1.396 0.020 . 1 . . . . . 94 LYS HG2 . 26942 2 739 . 1 1 98 98 LYS HE2 H 1 3.011 0.020 . 1 . . . . . 94 LYS HE2 . 26942 2 740 . 1 1 98 98 LYS C C 13 181.537 0.3 . 1 . . . . . 94 LYS C . 26942 2 741 . 1 1 98 98 LYS CA C 13 57.707 0.3 . 1 . . . . . 94 LYS CA . 26942 2 742 . 1 1 98 98 LYS CB C 13 33.573 0.3 . 1 . . . . . 94 LYS CB . 26942 2 743 . 1 1 98 98 LYS N N 15 124.784 0.3 . 1 . . . . . 94 LYS N . 26942 2 stop_ save_