data_51811 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51811 _Entry.Title ; 1H, 13C, 15N backbone chemical shift assignments of the extended ARID domain from human AT-rich interactive domain protein 5a (Arid5a) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-30 _Entry.Accession_date 2023-01-30 _Entry.Last_release_date 2023-01-30 _Entry.Original_release_date 2023-01-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 . _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 Julian 'von Ehr' . . . 0000-0003-4535-661X 51811 2 Sophie Korn . M. . 0000-0003-3798-3277 51811 3 Andreas Schlundt . . . 0000-0003-2254-7560 51811 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Goethe University, Frankfurt am Main, FB15, Institute for Molecular Biosciences, AG Schlundt' . 51811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 51811 '15N chemical shifts' 107 51811 '1H chemical shifts' 343 51811 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 2 . . 2023-06-17 2023-01-30 update BMRB 'update entry citation' 51811 1 . . 2023-02-03 2023-01-30 original author 'original release' 51811 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51812 'Assignment of human Arid5a (residues 37-183)' 51811 SP ARID5A 'Uniprot entry with amino acid sequence' 51811 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51811 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37129704 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone chemical shift assignments of the extended ARID domain in human AT-rich interactive domain protein 5a (Arid5a) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 121 _Citation.Page_last 127 _Citation.Year 2023 _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 Julian 'von Ehr' J. . . . 51811 1 2 'Sophie Marianne' Korn S. M. . . 51811 1 3 Lena Weiss L. . . . 51811 1 4 Andreas Schlundt A. . . . 51811 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'human Arid5a, Assignment letter, ARID, DNA-binding-protein' 51811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51811 _Assembly.ID 1 _Assembly.Name 'Arid5a 49-152' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12680 _Assembly.Enzyme_commission_number . _Assembly.Details . _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 'Arid5a 49-152' 1 $entity_1 . . yes native no no . . . 51811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51811 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMAREEEQEREEEQAFLVS LYKFMKERHTPIERVPHLGF KQINLWKIYKAVEKLGAYEL VTGRRLWKNVYDELGGSPGS TSAATCTRRHYERLVLPYVR HLKGEDDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 45-152 _Entity.Polymer_author_seq_details 'The first four residues (GAMA) in the protein construct used are cloning artifacts.' _Entity.Ambiguous_conformational_states no _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12680 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 UNP Q03989-1 . Arid5a . . . . . . . . . . . . . . 51811 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA-RNA-binding protein; may regulate transcription and RNA-stability' 51811 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 45 GLY . 51811 1 2 46 ALA . 51811 1 3 47 MET . 51811 1 4 48 ALA . 51811 1 5 49 ARG . 51811 1 6 50 GLU . 51811 1 7 51 GLU . 51811 1 8 52 GLU . 51811 1 9 53 GLN . 51811 1 10 54 GLU . 51811 1 11 55 ARG . 51811 1 12 56 GLU . 51811 1 13 57 GLU . 51811 1 14 58 GLU . 51811 1 15 59 GLN . 51811 1 16 60 ALA . 51811 1 17 61 PHE . 51811 1 18 62 LEU . 51811 1 19 63 VAL . 51811 1 20 64 SER . 51811 1 21 65 LEU . 51811 1 22 66 TYR . 51811 1 23 67 LYS . 51811 1 24 68 PHE . 51811 1 25 69 MET . 51811 1 26 70 LYS . 51811 1 27 71 GLU . 51811 1 28 72 ARG . 51811 1 29 73 HIS . 51811 1 30 74 THR . 51811 1 31 75 PRO . 51811 1 32 76 ILE . 51811 1 33 77 GLU . 51811 1 34 78 ARG . 51811 1 35 79 VAL . 51811 1 36 80 PRO . 51811 1 37 81 HIS . 51811 1 38 82 LEU . 51811 1 39 83 GLY . 51811 1 40 84 PHE . 51811 1 41 85 LYS . 51811 1 42 86 GLN . 51811 1 43 87 ILE . 51811 1 44 88 ASN . 51811 1 45 89 LEU . 51811 1 46 90 TRP . 51811 1 47 91 LYS . 51811 1 48 92 ILE . 51811 1 49 93 TYR . 51811 1 50 94 LYS . 51811 1 51 95 ALA . 51811 1 52 96 VAL . 51811 1 53 97 GLU . 51811 1 54 98 LYS . 51811 1 55 99 LEU . 51811 1 56 100 GLY . 51811 1 57 101 ALA . 51811 1 58 102 TYR . 51811 1 59 103 GLU . 51811 1 60 104 LEU . 51811 1 61 105 VAL . 51811 1 62 106 THR . 51811 1 63 107 GLY . 51811 1 64 108 ARG . 51811 1 65 109 ARG . 51811 1 66 110 LEU . 51811 1 67 111 TRP . 51811 1 68 112 LYS . 51811 1 69 113 ASN . 51811 1 70 114 VAL . 51811 1 71 115 TYR . 51811 1 72 116 ASP . 51811 1 73 117 GLU . 51811 1 74 118 LEU . 51811 1 75 119 GLY . 51811 1 76 120 GLY . 51811 1 77 121 SER . 51811 1 78 122 PRO . 51811 1 79 123 GLY . 51811 1 80 124 SER . 51811 1 81 125 THR . 51811 1 82 126 SER . 51811 1 83 127 ALA . 51811 1 84 128 ALA . 51811 1 85 129 THR . 51811 1 86 130 CYS . 51811 1 87 131 THR . 51811 1 88 132 ARG . 51811 1 89 133 ARG . 51811 1 90 134 HIS . 51811 1 91 135 TYR . 51811 1 92 136 GLU . 51811 1 93 137 ARG . 51811 1 94 138 LEU . 51811 1 95 139 VAL . 51811 1 96 140 LEU . 51811 1 97 141 PRO . 51811 1 98 142 TYR . 51811 1 99 143 VAL . 51811 1 100 144 ARG . 51811 1 101 145 HIS . 51811 1 102 146 LEU . 51811 1 103 147 LYS . 51811 1 104 148 GLY . 51811 1 105 149 GLU . 51811 1 106 150 ASP . 51811 1 107 151 ASP . 51811 1 108 152 LYS . 51811 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 51811 1 . ALA 2 2 51811 1 . MET 3 3 51811 1 . ALA 4 4 51811 1 . ARG 5 5 51811 1 . GLU 6 6 51811 1 . GLU 7 7 51811 1 . GLU 8 8 51811 1 . GLN 9 9 51811 1 . GLU 10 10 51811 1 . ARG 11 11 51811 1 . GLU 12 12 51811 1 . GLU 13 13 51811 1 . GLU 14 14 51811 1 . GLN 15 15 51811 1 . ALA 16 16 51811 1 . PHE 17 17 51811 1 . LEU 18 18 51811 1 . VAL 19 19 51811 1 . SER 20 20 51811 1 . LEU 21 21 51811 1 . TYR 22 22 51811 1 . LYS 23 23 51811 1 . PHE 24 24 51811 1 . MET 25 25 51811 1 . LYS 26 26 51811 1 . GLU 27 27 51811 1 . ARG 28 28 51811 1 . HIS 29 29 51811 1 . THR 30 30 51811 1 . PRO 31 31 51811 1 . ILE 32 32 51811 1 . GLU 33 33 51811 1 . ARG 34 34 51811 1 . VAL 35 35 51811 1 . PRO 36 36 51811 1 . HIS 37 37 51811 1 . LEU 38 38 51811 1 . GLY 39 39 51811 1 . PHE 40 40 51811 1 . LYS 41 41 51811 1 . GLN 42 42 51811 1 . ILE 43 43 51811 1 . ASN 44 44 51811 1 . LEU 45 45 51811 1 . TRP 46 46 51811 1 . LYS 47 47 51811 1 . ILE 48 48 51811 1 . TYR 49 49 51811 1 . LYS 50 50 51811 1 . ALA 51 51 51811 1 . VAL 52 52 51811 1 . GLU 53 53 51811 1 . LYS 54 54 51811 1 . LEU 55 55 51811 1 . GLY 56 56 51811 1 . ALA 57 57 51811 1 . TYR 58 58 51811 1 . GLU 59 59 51811 1 . LEU 60 60 51811 1 . VAL 61 61 51811 1 . THR 62 62 51811 1 . GLY 63 63 51811 1 . ARG 64 64 51811 1 . ARG 65 65 51811 1 . LEU 66 66 51811 1 . TRP 67 67 51811 1 . LYS 68 68 51811 1 . ASN 69 69 51811 1 . VAL 70 70 51811 1 . TYR 71 71 51811 1 . ASP 72 72 51811 1 . GLU 73 73 51811 1 . LEU 74 74 51811 1 . GLY 75 75 51811 1 . GLY 76 76 51811 1 . SER 77 77 51811 1 . PRO 78 78 51811 1 . GLY 79 79 51811 1 . SER 80 80 51811 1 . THR 81 81 51811 1 . SER 82 82 51811 1 . ALA 83 83 51811 1 . ALA 84 84 51811 1 . THR 85 85 51811 1 . CYS 86 86 51811 1 . THR 87 87 51811 1 . ARG 88 88 51811 1 . ARG 89 89 51811 1 . HIS 90 90 51811 1 . TYR 91 91 51811 1 . GLU 92 92 51811 1 . ARG 93 93 51811 1 . LEU 94 94 51811 1 . VAL 95 95 51811 1 . LEU 96 96 51811 1 . PRO 97 97 51811 1 . TYR 98 98 51811 1 . VAL 99 99 51811 1 . ARG 100 100 51811 1 . HIS 101 101 51811 1 . LEU 102 102 51811 1 . LYS 103 103 51811 1 . GLY 104 104 51811 1 . GLU 105 105 51811 1 . ASP 106 106 51811 1 . ASP 107 107 51811 1 . LYS 108 108 51811 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51811 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51811 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51811 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(DE3) . . plasmid . . pET-Trx1a . . . 51811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51811 _Sample.ID 1 _Sample.Name Arid5a_49-152_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 Arid5a '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 127 . . uM . . . . 51811 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . uM . . . . 51811 1 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51811 1 4 'Bis-Tris pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 51811 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51811 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51811 _Sample.ID 2 _Sample.Name Arid5a_49-152_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 Arid5a '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 471 . . uM . . . . 51811 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . uM . . . . 51811 2 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51811 2 4 'Bis-Tris pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 51811 2 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51811 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51811 _Sample.ID 3 _Sample.Name Arid5a_49-152_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '95% H2O/5% 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 Arid5a '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 225 . . uM . . . . 51811 3 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . uM . . . . 51811 3 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51811 3 4 'Bis-Tris pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 51811 3 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51811 3 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 51811 _Sample_condition_list.ID 1 _Sample_condition_list.Name Arid5a_49-152 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51811 1 pH 6.5 . pH 51811 1 pressure 1 . atm 51811 1 temperature 298 . K 51811 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51811 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3 + 4' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51811 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51811 _Software.ID 2 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51811 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51811 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance Neo 599' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51811 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51811 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Avance 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 51811 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name 'Avance 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 51811 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name 'Avance 950' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51811 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51811 1 2 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51811 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51811 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51811 1 5 '3D HNCACO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 51811 1 6 '3D CBCA(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51811 1 7 '3D HBHANH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51811 1 8 '3D HBHA(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51811 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51811 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 51811 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 51811 1 N 15 urea nitrogen . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 51811 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51811 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shift-list-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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51811 1 2 '3D HNCACB' . . . 51811 1 3 '3D HNCA' . . . 51811 1 4 '3D HNCO' . . . 51811 1 5 '3D HNCACO' . . . 51811 1 6 '3D CBCA(CO)NH' . . . 51811 1 7 '3D HBHANH' . . . 51811 1 8 '3D HBHA(CO)NH' . . . 51811 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 2 $software_2 . . 51811 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 ALA HA H 1 4.302 0.000 . 1 . . . . . 46 ALA HA . 51811 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.301 0.000 . 1 . . . . . 46 ALA HB1 . 51811 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.301 0.000 . 1 . . . . . 46 ALA HB2 . 51811 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.301 0.000 . 1 . . . . . 46 ALA HB3 . 51811 1 5 . 1 . 1 2 2 ALA C C 13 177.864 0.000 . 1 . . . . . 46 ALA C . 51811 1 6 . 1 . 1 2 2 ALA CA C 13 52.831 0.000 . 1 . . . . . 46 ALA CA . 51811 1 7 . 1 . 1 2 2 ALA CB C 13 19.4 0.000 . 1 . . . . . 46 ALA CB . 51811 1 8 . 1 . 1 3 3 MET H H 1 8.426 0.004 . 1 . . . . . 47 MET H . 51811 1 9 . 1 . 1 3 3 MET HA H 1 4.363 0.000 . 1 . . . . . 47 MET HA . 51811 1 10 . 1 . 1 3 3 MET HB2 H 1 1.991 0.000 . 1 . . . . . 47 MET HB2 . 51811 1 11 . 1 . 1 3 3 MET C C 13 175.995 0.000 . 1 . . . . . 47 MET C . 51811 1 12 . 1 . 1 3 3 MET CA C 13 55.529 0.017 . 1 . . . . . 47 MET CA . 51811 1 13 . 1 . 1 3 3 MET CB C 13 33.185 0.004 . 1 . . . . . 47 MET CB . 51811 1 14 . 1 . 1 3 3 MET N N 15 119.8 0.017 . 1 . . . . . 47 MET N . 51811 1 15 . 1 . 1 4 4 ALA H H 1 8.383 0.005 . 1 . . . . . 48 ALA H . 51811 1 16 . 1 . 1 4 4 ALA HA H 1 4.314 0.000 . 1 . . . . . 48 ALA HA . 51811 1 17 . 1 . 1 4 4 ALA HB1 H 1 1.354 0.000 . 1 . . . . . 48 ALA HB1 . 51811 1 18 . 1 . 1 4 4 ALA HB2 H 1 1.354 0.000 . 1 . . . . . 48 ALA HB2 . 51811 1 19 . 1 . 1 4 4 ALA HB3 H 1 1.354 0.000 . 1 . . . . . 48 ALA HB3 . 51811 1 20 . 1 . 1 4 4 ALA C C 13 178.164 0.000 . 1 . . . . . 48 ALA C . 51811 1 21 . 1 . 1 4 4 ALA CA C 13 52.883 0.000 . 1 . . . . . 48 ALA CA . 51811 1 22 . 1 . 1 4 4 ALA CB C 13 19.162 0.000 . 1 . . . . . 48 ALA CB . 51811 1 23 . 1 . 1 4 4 ALA N N 15 125.71 0.030 . 1 . . . . . 48 ALA N . 51811 1 24 . 1 . 1 5 5 ARG H H 1 8.42 0.006 . 1 . . . . . 49 ARG H . 51811 1 25 . 1 . 1 5 5 ARG HA H 1 4.238 0.000 . 1 . . . . . 49 ARG HA . 51811 1 26 . 1 . 1 5 5 ARG HB2 H 1 1.798 0.000 . 1 . . . . . 49 ARG HB2 . 51811 1 27 . 1 . 1 5 5 ARG C C 13 177.368 0.000 . 1 . . . . . 49 ARG C . 51811 1 28 . 1 . 1 5 5 ARG CA C 13 57.13 0.000 . 1 . . . . . 49 ARG CA . 51811 1 29 . 1 . 1 5 5 ARG CB C 13 30.407 0.000 . 1 . . . . . 49 ARG CB . 51811 1 30 . 1 . 1 5 5 ARG N N 15 120.785 0.025 . 1 . . . . . 49 ARG N . 51811 1 31 . 1 . 1 6 6 GLU H H 1 8.696 0.006 . 1 . . . . . 50 GLU H . 51811 1 32 . 1 . 1 6 6 GLU HA H 1 4.129 0.000 . 1 . . . . . 50 GLU HA . 51811 1 33 . 1 . 1 6 6 GLU HB2 H 1 1.942 0.000 . 1 . . . . . 50 GLU HB2 . 51811 1 34 . 1 . 1 6 6 GLU C C 13 177.987 0.000 . 1 . . . . . 50 GLU C . 51811 1 35 . 1 . 1 6 6 GLU CA C 13 58.685 0.000 . 1 . . . . . 50 GLU CA . 51811 1 36 . 1 . 1 6 6 GLU CB C 13 29.77 0.000 . 1 . . . . . 50 GLU CB . 51811 1 37 . 1 . 1 6 6 GLU N N 15 121.208 0.031 . 1 . . . . . 50 GLU N . 51811 1 38 . 1 . 1 7 7 GLU H H 1 8.306 0.006 . 1 . . . . . 51 GLU H . 51811 1 39 . 1 . 1 7 7 GLU HA H 1 4.142 0.000 . 1 . . . . . 51 GLU HA . 51811 1 40 . 1 . 1 7 7 GLU HB2 H 1 2.012 0.000 . 1 . . . . . 51 GLU HB2 . 51811 1 41 . 1 . 1 7 7 GLU C C 13 178.115 0.000 . 1 . . . . . 51 GLU C . 51811 1 42 . 1 . 1 7 7 GLU CA C 13 58.487 0.000 . 1 . . . . . 51 GLU CA . 51811 1 43 . 1 . 1 7 7 GLU CB C 13 29.732 0.000 . 1 . . . . . 51 GLU CB . 51811 1 44 . 1 . 1 7 7 GLU N N 15 120.572 0.024 . 1 . . . . . 51 GLU N . 51811 1 45 . 1 . 1 8 8 GLU H H 1 8.184 0.006 . 1 . . . . . 52 GLU H . 51811 1 46 . 1 . 1 8 8 GLU HA H 1 4.054 0.000 . 1 . . . . . 52 GLU HA . 51811 1 47 . 1 . 1 8 8 GLU HB2 H 1 2.02 0.000 . 1 . . . . . 52 GLU HB2 . 51811 1 48 . 1 . 1 8 8 GLU C C 13 178.185 0.000 . 1 . . . . . 52 GLU C . 51811 1 49 . 1 . 1 8 8 GLU CA C 13 58.605 0.000 . 1 . . . . . 52 GLU CA . 51811 1 50 . 1 . 1 8 8 GLU CB C 13 29.802 0.000 . 1 . . . . . 52 GLU CB . 51811 1 51 . 1 . 1 8 8 GLU N N 15 120.63 0.021 . 1 . . . . . 52 GLU N . 51811 1 52 . 1 . 1 9 9 GLN H H 1 8.21 0.011 . 1 . . . . . 53 GLN H . 51811 1 53 . 1 . 1 9 9 GLN HA H 1 4.037 0.000 . 1 . . . . . 53 GLN HA . 51811 1 54 . 1 . 1 9 9 GLN HB2 H 1 2.086 0.000 . 1 . . . . . 53 GLN HB2 . 51811 1 55 . 1 . 1 9 9 GLN HE21 H 1 7.599 0.004 . 1 . . . . . 53 GLN HE21 . 51811 1 56 . 1 . 1 9 9 GLN HE22 H 1 6.795 0.000 . 1 . . . . . 53 GLN HE22 . 51811 1 57 . 1 . 1 9 9 GLN C C 13 177.959 0.000 . 1 . . . . . 53 GLN C . 51811 1 58 . 1 . 1 9 9 GLN CA C 13 58.436 0.000 . 1 . . . . . 53 GLN CA . 51811 1 59 . 1 . 1 9 9 GLN CB C 13 28.762 0.013 . 1 . . . . . 53 GLN CB . 51811 1 60 . 1 . 1 9 9 GLN CG C 13 34.048 0.000 . 1 . . . . . 53 GLN CG . 51811 1 61 . 1 . 1 9 9 GLN N N 15 119.716 0.014 . 1 . . . . . 53 GLN N . 51811 1 62 . 1 . 1 9 9 GLN NE2 N 15 112.054 0.242 . 1 . . . . . 53 GLN NE2 . 51811 1 63 . 1 . 1 10 10 GLU H H 1 8.1 0.005 . 1 . . . . . 54 GLU H . 51811 1 64 . 1 . 1 10 10 GLU HA H 1 3.87 0.000 . 1 . . . . . 54 GLU HA . 51811 1 65 . 1 . 1 10 10 GLU HB2 H 1 2.006 0.000 . 1 . . . . . 54 GLU HB2 . 51811 1 66 . 1 . 1 10 10 GLU C C 13 178.358 0.000 . 1 . . . . . 54 GLU C . 51811 1 67 . 1 . 1 10 10 GLU CA C 13 59.423 0.000 . 1 . . . . . 54 GLU CA . 51811 1 68 . 1 . 1 10 10 GLU CB C 13 29.625 0.000 . 1 . . . . . 54 GLU CB . 51811 1 69 . 1 . 1 10 10 GLU N N 15 121.505 0.024 . 1 . . . . . 54 GLU N . 51811 1 70 . 1 . 1 11 11 ARG H H 1 7.985 0.006 . 1 . . . . . 55 ARG H . 51811 1 71 . 1 . 1 11 11 ARG HA H 1 3.943 0.000 . 1 . . . . . 55 ARG HA . 51811 1 72 . 1 . 1 11 11 ARG HB2 H 1 2.002 0.000 . 1 . . . . . 55 ARG HB2 . 51811 1 73 . 1 . 1 11 11 ARG C C 13 179.101 0.000 . 1 . . . . . 55 ARG C . 51811 1 74 . 1 . 1 11 11 ARG CA C 13 59.165 0.000 . 1 . . . . . 55 ARG CA . 51811 1 75 . 1 . 1 11 11 ARG CB C 13 29.537 0.000 . 1 . . . . . 55 ARG CB . 51811 1 76 . 1 . 1 11 11 ARG N N 15 119.522 0.019 . 1 . . . . . 55 ARG N . 51811 1 77 . 1 . 1 12 12 GLU H H 1 7.883 0.005 . 1 . . . . . 56 GLU H . 51811 1 78 . 1 . 1 12 12 GLU HA H 1 4.049 0.000 . 1 . . . . . 56 GLU HA . 51811 1 79 . 1 . 1 12 12 GLU HB2 H 1 1.876 0.000 . 1 . . . . . 56 GLU HB2 . 51811 1 80 . 1 . 1 12 12 GLU C C 13 178.794 0.000 . 1 . . . . . 56 GLU C . 51811 1 81 . 1 . 1 12 12 GLU CA C 13 58.862 0.000 . 1 . . . . . 56 GLU CA . 51811 1 82 . 1 . 1 12 12 GLU CB C 13 29.962 0.000 . 1 . . . . . 56 GLU CB . 51811 1 83 . 1 . 1 12 12 GLU N N 15 119.309 0.029 . 1 . . . . . 56 GLU N . 51811 1 84 . 1 . 1 13 13 GLU H H 1 8.091 0.006 . 1 . . . . . 57 GLU H . 51811 1 85 . 1 . 1 13 13 GLU HA H 1 4.027 0.000 . 1 . . . . . 57 GLU HA . 51811 1 86 . 1 . 1 13 13 GLU HB2 H 1 2.082 0.000 . 1 . . . . . 57 GLU HB2 . 51811 1 87 . 1 . 1 13 13 GLU C C 13 177.911 0.000 . 1 . . . . . 57 GLU C . 51811 1 88 . 1 . 1 13 13 GLU CA C 13 58.802 0.000 . 1 . . . . . 57 GLU CA . 51811 1 89 . 1 . 1 13 13 GLU CB C 13 29.223 0.000 . 1 . . . . . 57 GLU CB . 51811 1 90 . 1 . 1 13 13 GLU N N 15 120.278 0.020 . 1 . . . . . 57 GLU N . 51811 1 91 . 1 . 1 14 14 GLU H H 1 8.222 0.005 . 1 . . . . . 58 GLU H . 51811 1 92 . 1 . 1 14 14 GLU HA H 1 3.795 0.000 . 1 . . . . . 58 GLU HA . 51811 1 93 . 1 . 1 14 14 GLU HB2 H 1 1.877 0.000 . 1 . . . . . 58 GLU HB2 . 51811 1 94 . 1 . 1 14 14 GLU C C 13 177.16 0.000 . 1 . . . . . 58 GLU C . 51811 1 95 . 1 . 1 14 14 GLU CA C 13 58.443 0.000 . 1 . . . . . 58 GLU CA . 51811 1 96 . 1 . 1 14 14 GLU CB C 13 28.977 0.000 . 1 . . . . . 58 GLU CB . 51811 1 97 . 1 . 1 14 14 GLU N N 15 121.353 0.015 . 1 . . . . . 58 GLU N . 51811 1 98 . 1 . 1 15 15 GLN H H 1 7.705 0.005 . 1 . . . . . 59 GLN H . 51811 1 99 . 1 . 1 15 15 GLN HA H 1 3.854 0.000 . 1 . . . . . 59 GLN HA . 51811 1 100 . 1 . 1 15 15 GLN HB2 H 1 1.958 0.000 . 1 . . . . . 59 GLN HB2 . 51811 1 101 . 1 . 1 15 15 GLN HE21 H 1 7.39 0.004 . 1 . . . . . 59 GLN HE21 . 51811 1 102 . 1 . 1 15 15 GLN HE22 H 1 6.746 0.000 . 1 . . . . . 59 GLN HE22 . 51811 1 103 . 1 . 1 15 15 GLN C C 13 178.028 0.000 . 1 . . . . . 59 GLN C . 51811 1 104 . 1 . 1 15 15 GLN CA C 13 58.651 0.160 . 1 . . . . . 59 GLN CA . 51811 1 105 . 1 . 1 15 15 GLN CB C 13 28.222 0.066 . 1 . . . . . 59 GLN CB . 51811 1 106 . 1 . 1 15 15 GLN CG C 13 33.871 0.000 . 1 . . . . . 59 GLN CG . 51811 1 107 . 1 . 1 15 15 GLN N N 15 115.799 0.020 . 1 . . . . . 59 GLN N . 51811 1 108 . 1 . 1 15 15 GLN NE2 N 15 111.788 0.248 . 1 . . . . . 59 GLN NE2 . 51811 1 109 . 1 . 1 16 16 ALA H H 1 7.81 0.005 . 1 . . . . . 60 ALA H . 51811 1 110 . 1 . 1 16 16 ALA HA H 1 3.927 0.000 . 1 . . . . . 60 ALA HA . 51811 1 111 . 1 . 1 16 16 ALA HB1 H 1 1.383 0.000 . 1 . . . . . 60 ALA HB1 . 51811 1 112 . 1 . 1 16 16 ALA HB2 H 1 1.383 0.000 . 1 . . . . . 60 ALA HB2 . 51811 1 113 . 1 . 1 16 16 ALA HB3 H 1 1.383 0.000 . 1 . . . . . 60 ALA HB3 . 51811 1 114 . 1 . 1 16 16 ALA C C 13 180.377 0.000 . 1 . . . . . 60 ALA C . 51811 1 115 . 1 . 1 16 16 ALA CA C 13 55.073 0.000 . 1 . . . . . 60 ALA CA . 51811 1 116 . 1 . 1 16 16 ALA CB C 13 18.227 0.000 . 1 . . . . . 60 ALA CB . 51811 1 117 . 1 . 1 16 16 ALA N N 15 120.35 0.038 . 1 . . . . . 60 ALA N . 51811 1 118 . 1 . 1 17 17 PHE H H 1 7.987 0.008 . 1 . . . . . 61 PHE H . 51811 1 119 . 1 . 1 17 17 PHE HA H 1 3.927 0.000 . 1 . . . . . 61 PHE HA . 51811 1 120 . 1 . 1 17 17 PHE HB2 H 1 3.232 0.000 . 1 . . . . . 61 PHE HB2 . 51811 1 121 . 1 . 1 17 17 PHE C C 13 176.364 0.000 . 1 . . . . . 61 PHE C . 51811 1 122 . 1 . 1 17 17 PHE CA C 13 61.554 0.000 . 1 . . . . . 61 PHE CA . 51811 1 123 . 1 . 1 17 17 PHE CB C 13 40.012 0.000 . 1 . . . . . 61 PHE CB . 51811 1 124 . 1 . 1 17 17 PHE N N 15 120.593 0.023 . 1 . . . . . 61 PHE N . 51811 1 125 . 1 . 1 18 18 LEU H H 1 8.358 0.006 . 1 . . . . . 62 LEU H . 51811 1 126 . 1 . 1 18 18 LEU HA H 1 3.803 0.000 . 1 . . . . . 62 LEU HA . 51811 1 127 . 1 . 1 18 18 LEU HB2 H 1 1.869 0.000 . 2 . . . . . 62 LEU HB2 . 51811 1 128 . 1 . 1 18 18 LEU HB3 H 1 1.272 0.000 . 2 . . . . . 62 LEU HB3 . 51811 1 129 . 1 . 1 18 18 LEU C C 13 179.298 0.000 . 1 . . . . . 62 LEU C . 51811 1 130 . 1 . 1 18 18 LEU CA C 13 58.324 0.000 . 1 . . . . . 62 LEU CA . 51811 1 131 . 1 . 1 18 18 LEU CB C 13 41.707 0.000 . 1 . . . . . 62 LEU CB . 51811 1 132 . 1 . 1 18 18 LEU N N 15 118.773 0.015 . 1 . . . . . 62 LEU N . 51811 1 133 . 1 . 1 19 19 VAL H H 1 8.163 0.005 . 1 . . . . . 63 VAL H . 51811 1 134 . 1 . 1 19 19 VAL HA H 1 3.532 0.000 . 1 . . . . . 63 VAL HA . 51811 1 135 . 1 . 1 19 19 VAL HB H 1 1.979 0.000 . 1 . . . . . 63 VAL HB . 51811 1 136 . 1 . 1 19 19 VAL C C 13 179.651 0.000 . 1 . . . . . 63 VAL C . 51811 1 137 . 1 . 1 19 19 VAL CA C 13 66.81 0.000 . 1 . . . . . 63 VAL CA . 51811 1 138 . 1 . 1 19 19 VAL CB C 13 31.752 0.000 . 1 . . . . . 63 VAL CB . 51811 1 139 . 1 . 1 19 19 VAL N N 15 118.043 0.020 . 1 . . . . . 63 VAL N . 51811 1 140 . 1 . 1 20 20 SER H H 1 7.635 0.006 . 1 . . . . . 64 SER H . 51811 1 141 . 1 . 1 20 20 SER HA H 1 4.146 0.000 . 1 . . . . . 64 SER HA . 51811 1 142 . 1 . 1 20 20 SER HB2 H 1 3.798 0.000 . 1 . . . . . 64 SER HB2 . 51811 1 143 . 1 . 1 20 20 SER C C 13 176.189 0.000 . 1 . . . . . 64 SER C . 51811 1 144 . 1 . 1 20 20 SER CA C 13 62.413 0.000 . 1 . . . . . 64 SER CA . 51811 1 145 . 1 . 1 20 20 SER CB C 13 63.235 0.000 . 1 . . . . . 64 SER CB . 51811 1 146 . 1 . 1 20 20 SER N N 15 116.357 0.050 . 1 . . . . . 64 SER N . 51811 1 147 . 1 . 1 21 21 LEU H H 1 8.674 0.006 . 1 . . . . . 65 LEU H . 51811 1 148 . 1 . 1 21 21 LEU HA H 1 2.764 0.000 . 1 . . . . . 65 LEU HA . 51811 1 149 . 1 . 1 21 21 LEU HB2 H 1 1.359 0.000 . 2 . . . . . 65 LEU HB2 . 51811 1 150 . 1 . 1 21 21 LEU HB3 H 1 0.294 0.000 . 2 . . . . . 65 LEU HB3 . 51811 1 151 . 1 . 1 21 21 LEU C C 13 178.427 0.000 . 1 . . . . . 65 LEU C . 51811 1 152 . 1 . 1 21 21 LEU CA C 13 58.851 0.000 . 1 . . . . . 65 LEU CA . 51811 1 153 . 1 . 1 21 21 LEU CB C 13 41.522 0.000 . 1 . . . . . 65 LEU CB . 51811 1 154 . 1 . 1 21 21 LEU N N 15 126.183 0.040 . 1 . . . . . 65 LEU N . 51811 1 155 . 1 . 1 22 22 TYR H H 1 8.561 0.006 . 1 . . . . . 66 TYR H . 51811 1 156 . 1 . 1 22 22 TYR HA H 1 3.855 0.000 . 1 . . . . . 66 TYR HA . 51811 1 157 . 1 . 1 22 22 TYR HB2 H 1 2.993 0.000 . 1 . . . . . 66 TYR HB2 . 51811 1 158 . 1 . 1 22 22 TYR C C 13 179.928 0.000 . 1 . . . . . 66 TYR C . 51811 1 159 . 1 . 1 22 22 TYR CA C 13 62.158 0.000 . 1 . . . . . 66 TYR CA . 51811 1 160 . 1 . 1 22 22 TYR CB C 13 37.151 0.000 . 1 . . . . . 66 TYR CB . 51811 1 161 . 1 . 1 22 22 TYR N N 15 117.827 0.015 . 1 . . . . . 66 TYR N . 51811 1 162 . 1 . 1 23 23 LYS H H 1 7.795 0.006 . 1 . . . . . 67 LYS H . 51811 1 163 . 1 . 1 23 23 LYS HA H 1 3.937 0.000 . 1 . . . . . 67 LYS HA . 51811 1 164 . 1 . 1 23 23 LYS HB2 H 1 1.873 0.000 . 1 . . . . . 67 LYS HB2 . 51811 1 165 . 1 . 1 23 23 LYS C C 13 177.58 0.000 . 1 . . . . . 67 LYS C . 51811 1 166 . 1 . 1 23 23 LYS CA C 13 60.118 0.000 . 1 . . . . . 67 LYS CA . 51811 1 167 . 1 . 1 23 23 LYS CB C 13 33.05 0.000 . 1 . . . . . 67 LYS CB . 51811 1 168 . 1 . 1 23 23 LYS N N 15 120.729 0.018 . 1 . . . . . 67 LYS N . 51811 1 169 . 1 . 1 24 24 PHE H H 1 8.073 0.005 . 1 . . . . . 68 PHE H . 51811 1 170 . 1 . 1 24 24 PHE HA H 1 4.037 0.000 . 1 . . . . . 68 PHE HA . 51811 1 171 . 1 . 1 24 24 PHE HB2 H 1 2.949 0.000 . 1 . . . . . 68 PHE HB2 . 51811 1 172 . 1 . 1 24 24 PHE C C 13 178.22 0.000 . 1 . . . . . 68 PHE C . 51811 1 173 . 1 . 1 24 24 PHE CA C 13 61.051 0.000 . 1 . . . . . 68 PHE CA . 51811 1 174 . 1 . 1 24 24 PHE CB C 13 39.642 0.000 . 1 . . . . . 68 PHE CB . 51811 1 175 . 1 . 1 24 24 PHE N N 15 120.339 0.038 . 1 . . . . . 68 PHE N . 51811 1 176 . 1 . 1 25 25 MET H H 1 8.195 0.005 . 1 . . . . . 69 MET H . 51811 1 177 . 1 . 1 25 25 MET HA H 1 3.873 0.000 . 1 . . . . . 69 MET HA . 51811 1 178 . 1 . 1 25 25 MET HB2 H 1 3.053 0.000 . 2 . . . . . 69 MET HB2 . 51811 1 179 . 1 . 1 25 25 MET HB3 H 1 2.535 0.000 . 2 . . . . . 69 MET HB3 . 51811 1 180 . 1 . 1 25 25 MET C C 13 177.646 0.000 . 1 . . . . . 69 MET C . 51811 1 181 . 1 . 1 25 25 MET CA C 13 57.035 0.000 . 1 . . . . . 69 MET CA . 51811 1 182 . 1 . 1 25 25 MET CB C 13 31.431 0.000 . 1 . . . . . 69 MET CB . 51811 1 183 . 1 . 1 25 25 MET N N 15 116.555 0.049 . 1 . . . . . 69 MET N . 51811 1 184 . 1 . 1 26 26 LYS H H 1 7.965 0.004 . 1 . . . . . 70 LYS H . 51811 1 185 . 1 . 1 26 26 LYS HA H 1 3.744 0.000 . 1 . . . . . 70 LYS HA . 51811 1 186 . 1 . 1 26 26 LYS HB2 H 1 1.923 0.000 . 1 . . . . . 70 LYS HB2 . 51811 1 187 . 1 . 1 26 26 LYS C C 13 180.989 0.000 . 1 . . . . . 70 LYS C . 51811 1 188 . 1 . 1 26 26 LYS CA C 13 60.277 0.000 . 1 . . . . . 70 LYS CA . 51811 1 189 . 1 . 1 26 26 LYS CB C 13 32.192 0.000 . 1 . . . . . 70 LYS CB . 51811 1 190 . 1 . 1 26 26 LYS N N 15 120.828 0.018 . 1 . . . . . 70 LYS N . 51811 1 191 . 1 . 1 27 27 GLU H H 1 8.22 0.004 . 1 . . . . . 71 GLU H . 51811 1 192 . 1 . 1 27 27 GLU HA H 1 3.768 0.000 . 1 . . . . . 71 GLU HA . 51811 1 193 . 1 . 1 27 27 GLU HB2 H 1 1.867 0.000 . 1 . . . . . 71 GLU HB2 . 51811 1 194 . 1 . 1 27 27 GLU C C 13 177.143 0.000 . 1 . . . . . 71 GLU C . 51811 1 195 . 1 . 1 27 27 GLU CA C 13 58.92 0.000 . 1 . . . . . 71 GLU CA . 51811 1 196 . 1 . 1 27 27 GLU CB C 13 28.87 0.000 . 1 . . . . . 71 GLU CB . 51811 1 197 . 1 . 1 27 27 GLU N N 15 121.174 0.051 . 1 . . . . . 71 GLU N . 51811 1 198 . 1 . 1 28 28 ARG H H 1 7.101 0.006 . 1 . . . . . 72 ARG H . 51811 1 199 . 1 . 1 28 28 ARG HA H 1 3.924 0.000 . 1 . . . . . 72 ARG HA . 51811 1 200 . 1 . 1 28 28 ARG HB2 H 1 1.356 0.000 . 1 . . . . . 72 ARG HB2 . 51811 1 201 . 1 . 1 28 28 ARG C C 13 174.913 0.000 . 1 . . . . . 72 ARG C . 51811 1 202 . 1 . 1 28 28 ARG CA C 13 55.179 0.000 . 1 . . . . . 72 ARG CA . 51811 1 203 . 1 . 1 28 28 ARG CB C 13 30.231 0.000 . 1 . . . . . 72 ARG CB . 51811 1 204 . 1 . 1 28 28 ARG N N 15 117.17 0.031 . 1 . . . . . 72 ARG N . 51811 1 205 . 1 . 1 29 29 HIS H H 1 7.616 0.005 . 1 . . . . . 73 HIS H . 51811 1 206 . 1 . 1 29 29 HIS HA H 1 4.141 0.000 . 1 . . . . . 73 HIS HA . 51811 1 207 . 1 . 1 29 29 HIS HB2 H 1 3.48 0.000 . 1 . . . . . 73 HIS HB2 . 51811 1 208 . 1 . 1 29 29 HIS C C 13 174.24 0.000 . 1 . . . . . 73 HIS C . 51811 1 209 . 1 . 1 29 29 HIS CA C 13 56.511 0.000 . 1 . . . . . 73 HIS CA . 51811 1 210 . 1 . 1 29 29 HIS CB C 13 25.941 0.000 . 1 . . . . . 73 HIS CB . 51811 1 211 . 1 . 1 29 29 HIS N N 15 111.012 0.035 . 1 . . . . . 73 HIS N . 51811 1 212 . 1 . 1 30 30 THR H H 1 8.151 0.005 . 1 . . . . . 74 THR H . 51811 1 213 . 1 . 1 30 30 THR HA H 1 4.635 0.000 . 1 . . . . . 74 THR HA . 51811 1 214 . 1 . 1 30 30 THR HB H 1 3.639 0.000 . 1 . . . . . 74 THR HB . 51811 1 215 . 1 . 1 30 30 THR C C 13 172.716 0.000 . 1 . . . . . 74 THR C . 51811 1 216 . 1 . 1 30 30 THR CA C 13 57.505 0.000 . 1 . . . . . 74 THR CA . 51811 1 217 . 1 . 1 30 30 THR CB C 13 70.03 0.000 . 1 . . . . . 74 THR CB . 51811 1 218 . 1 . 1 30 30 THR N N 15 108.813 0.039 . 1 . . . . . 74 THR N . 51811 1 219 . 1 . 1 31 31 PRO HA H 1 4.019 0.000 . 1 . . . . . 75 PRO HA . 51811 1 220 . 1 . 1 31 31 PRO HB2 H 1 1.83 0.000 . 1 . . . . . 75 PRO HB2 . 51811 1 221 . 1 . 1 31 31 PRO C C 13 176.63 0.000 . 1 . . . . . 75 PRO C . 51811 1 222 . 1 . 1 31 31 PRO CA C 13 62.418 0.000 . 1 . . . . . 75 PRO CA . 51811 1 223 . 1 . 1 31 31 PRO CB C 13 32.49 0.000 . 1 . . . . . 75 PRO CB . 51811 1 224 . 1 . 1 32 32 ILE H H 1 8.388 0.006 . 1 . . . . . 76 ILE H . 51811 1 225 . 1 . 1 32 32 ILE HA H 1 3.857 0.000 . 1 . . . . . 76 ILE HA . 51811 1 226 . 1 . 1 32 32 ILE HB H 1 1.315 0.000 . 1 . . . . . 76 ILE HB . 51811 1 227 . 1 . 1 32 32 ILE C C 13 175.904 0.000 . 1 . . . . . 76 ILE C . 51811 1 228 . 1 . 1 32 32 ILE CA C 13 62.107 0.000 . 1 . . . . . 76 ILE CA . 51811 1 229 . 1 . 1 32 32 ILE CB C 13 36.716 0.000 . 1 . . . . . 76 ILE CB . 51811 1 230 . 1 . 1 32 32 ILE N N 15 121.106 0.029 . 1 . . . . . 76 ILE N . 51811 1 231 . 1 . 1 33 33 GLU H H 1 8.442 0.005 . 1 . . . . . 77 GLU H . 51811 1 232 . 1 . 1 33 33 GLU HA H 1 4.293 0.000 . 1 . . . . . 77 GLU HA . 51811 1 233 . 1 . 1 33 33 GLU HB2 H 1 1.903 0.000 . 1 . . . . . 77 GLU HB2 . 51811 1 234 . 1 . 1 33 33 GLU C C 13 175.788 0.000 . 1 . . . . . 77 GLU C . 51811 1 235 . 1 . 1 33 33 GLU CA C 13 57.019 0.000 . 1 . . . . . 77 GLU CA . 51811 1 236 . 1 . 1 33 33 GLU CB C 13 30.84 0.000 . 1 . . . . . 77 GLU CB . 51811 1 237 . 1 . 1 33 33 GLU N N 15 128.205 0.045 . 1 . . . . . 77 GLU N . 51811 1 238 . 1 . 1 34 34 ARG H H 1 7.754 0.005 . 1 . . . . . 78 ARG H . 51811 1 239 . 1 . 1 34 34 ARG HA H 1 4.352 0.000 . 1 . . . . . 78 ARG HA . 51811 1 240 . 1 . 1 34 34 ARG HB2 H 1 1.746 0.000 . 1 . . . . . 78 ARG HB2 . 51811 1 241 . 1 . 1 34 34 ARG C C 13 174.932 0.000 . 1 . . . . . 78 ARG C . 51811 1 242 . 1 . 1 34 34 ARG CA C 13 55.333 0.000 . 1 . . . . . 78 ARG CA . 51811 1 243 . 1 . 1 34 34 ARG CB C 13 31.281 0.000 . 1 . . . . . 78 ARG CB . 51811 1 244 . 1 . 1 34 34 ARG N N 15 117.976 0.022 . 1 . . . . . 78 ARG N . 51811 1 245 . 1 . 1 35 35 VAL H H 1 8.599 0.006 . 1 . . . . . 79 VAL H . 51811 1 246 . 1 . 1 35 35 VAL HA H 1 4.23 0.000 . 1 . . . . . 79 VAL HA . 51811 1 247 . 1 . 1 35 35 VAL HB H 1 1.813 0.000 . 1 . . . . . 79 VAL HB . 51811 1 248 . 1 . 1 35 35 VAL C C 13 174.539 0.000 . 1 . . . . . 79 VAL C . 51811 1 249 . 1 . 1 35 35 VAL CA C 13 60.438 0.000 . 1 . . . . . 79 VAL CA . 51811 1 250 . 1 . 1 35 35 VAL CB C 13 32.547 0.000 . 1 . . . . . 79 VAL CB . 51811 1 251 . 1 . 1 35 35 VAL N N 15 125.518 0.033 . 1 . . . . . 79 VAL N . 51811 1 252 . 1 . 1 36 36 PRO HA H 1 4.484 0.000 . 1 . . . . . 80 PRO HA . 51811 1 253 . 1 . 1 36 36 PRO HB2 H 1 2.071 0.000 . 2 . . . . . 80 PRO HB2 . 51811 1 254 . 1 . 1 36 36 PRO HB3 H 1 1.329 0.000 . 2 . . . . . 80 PRO HB3 . 51811 1 255 . 1 . 1 36 36 PRO C C 13 175.388 0.000 . 1 . . . . . 80 PRO C . 51811 1 256 . 1 . 1 36 36 PRO CA C 13 62.742 0.000 . 1 . . . . . 80 PRO CA . 51811 1 257 . 1 . 1 36 36 PRO CB C 13 32.684 0.000 . 1 . . . . . 80 PRO CB . 51811 1 258 . 1 . 1 37 37 HIS H H 1 8.381 0.005 . 1 . . . . . 81 HIS H . 51811 1 259 . 1 . 1 37 37 HIS HA H 1 4.675 0.000 . 1 . . . . . 81 HIS HA . 51811 1 260 . 1 . 1 37 37 HIS HB2 H 1 2.753 0.000 . 1 . . . . . 81 HIS HB2 . 51811 1 261 . 1 . 1 37 37 HIS C C 13 174.745 0.000 . 1 . . . . . 81 HIS C . 51811 1 262 . 1 . 1 37 37 HIS CA C 13 55.85 0.000 . 1 . . . . . 81 HIS CA . 51811 1 263 . 1 . 1 37 37 HIS CB C 13 32.316 0.000 . 1 . . . . . 81 HIS CB . 51811 1 264 . 1 . 1 37 37 HIS N N 15 117.434 0.043 . 1 . . . . . 81 HIS N . 51811 1 265 . 1 . 1 38 38 LEU H H 1 8.431 0.005 . 1 . . . . . 82 LEU H . 51811 1 266 . 1 . 1 38 38 LEU HA H 1 4.578 0.000 . 1 . . . . . 82 LEU HA . 51811 1 267 . 1 . 1 38 38 LEU HB2 H 1 1.442 0.000 . 1 . . . . . 82 LEU HB2 . 51811 1 268 . 1 . 1 38 38 LEU C C 13 176.645 0.000 . 1 . . . . . 82 LEU C . 51811 1 269 . 1 . 1 38 38 LEU CA C 13 54.495 0.000 . 1 . . . . . 82 LEU CA . 51811 1 270 . 1 . 1 38 38 LEU CB C 13 43.523 0.000 . 1 . . . . . 82 LEU CB . 51811 1 271 . 1 . 1 38 38 LEU N N 15 122.904 0.042 . 1 . . . . . 82 LEU N . 51811 1 272 . 1 . 1 39 39 GLY H H 1 8.991 0.007 . 1 . . . . . 83 GLY H . 51811 1 273 . 1 . 1 39 39 GLY HA2 H 1 3.948 0.000 . 2 . . . . . 83 GLY HA2 . 51811 1 274 . 1 . 1 39 39 GLY HA3 H 1 3.615 0.000 . 2 . . . . . 83 GLY HA3 . 51811 1 275 . 1 . 1 39 39 GLY C C 13 178.204 0.000 . 1 . . . . . 83 GLY C . 51811 1 276 . 1 . 1 39 39 GLY CA C 13 46.951 0.000 . 1 . . . . . 83 GLY CA . 51811 1 277 . 1 . 1 39 39 GLY N N 15 115.513 0.090 . 1 . . . . . 83 GLY N . 51811 1 278 . 1 . 1 40 40 PHE H H 1 8.6 0.035 . 1 . . . . . 84 PHE H . 51811 1 279 . 1 . 1 40 40 PHE HA H 1 4.505 0.000 . 1 . . . . . 84 PHE HA . 51811 1 280 . 1 . 1 40 40 PHE HB2 H 1 3.198 0.000 . 1 . . . . . 84 PHE HB2 . 51811 1 281 . 1 . 1 40 40 PHE C C 13 174.942 0.000 . 1 . . . . . 84 PHE C . 51811 1 282 . 1 . 1 40 40 PHE CA C 13 58.648 0.000 . 1 . . . . . 84 PHE CA . 51811 1 283 . 1 . 1 40 40 PHE CB C 13 38.267 0.000 . 1 . . . . . 84 PHE CB . 51811 1 284 . 1 . 1 40 40 PHE N N 15 118.744 0.126 . 1 . . . . . 84 PHE N . 51811 1 285 . 1 . 1 41 41 LYS H H 1 7.552 0.008 . 1 . . . . . 85 LYS H . 51811 1 286 . 1 . 1 41 41 LYS HA H 1 4.421 0.000 . 1 . . . . . 85 LYS HA . 51811 1 287 . 1 . 1 41 41 LYS HB2 H 1 1.701 0.000 . 1 . . . . . 85 LYS HB2 . 51811 1 288 . 1 . 1 41 41 LYS C C 13 175.232 0.000 . 1 . . . . . 85 LYS C . 51811 1 289 . 1 . 1 41 41 LYS CA C 13 54.95 0.000 . 1 . . . . . 85 LYS CA . 51811 1 290 . 1 . 1 41 41 LYS CB C 13 35.092 0.000 . 1 . . . . . 85 LYS CB . 51811 1 291 . 1 . 1 41 41 LYS N N 15 118.746 0.043 . 1 . . . . . 85 LYS N . 51811 1 292 . 1 . 1 42 42 GLN H H 1 8.543 0.005 . 1 . . . . . 86 GLN H . 51811 1 293 . 1 . 1 42 42 GLN HA H 1 4.346 0.000 . 1 . . . . . 86 GLN HA . 51811 1 294 . 1 . 1 42 42 GLN HB2 H 1 1.704 0.000 . 1 . . . . . 86 GLN HB2 . 51811 1 295 . 1 . 1 42 42 GLN HE21 H 1 7.627 0.000 . 1 . . . . . 86 GLN HE21 . 51811 1 296 . 1 . 1 42 42 GLN HE22 H 1 6.906 0.000 . 1 . . . . . 86 GLN HE22 . 51811 1 297 . 1 . 1 42 42 GLN C C 13 176.461 0.046 . 1 . . . . . 86 GLN C . 51811 1 298 . 1 . 1 42 42 GLN CA C 13 56.966 0.000 . 1 . . . . . 86 GLN CA . 51811 1 299 . 1 . 1 42 42 GLN CB C 13 29.386 0.042 . 1 . . . . . 86 GLN CB . 51811 1 300 . 1 . 1 42 42 GLN CG C 13 34.527 0.000 . 1 . . . . . 86 GLN CG . 51811 1 301 . 1 . 1 42 42 GLN N N 15 123.443 0.046 . 1 . . . . . 86 GLN N . 51811 1 302 . 1 . 1 42 42 GLN NE2 N 15 112.771 0.002 . 1 . . . . . 86 GLN NE2 . 51811 1 303 . 1 . 1 43 43 ILE H H 1 8.21 0.007 . 1 . . . . . 87 ILE H . 51811 1 304 . 1 . 1 43 43 ILE HA H 1 3.81 0.000 . 1 . . . . . 87 ILE HA . 51811 1 305 . 1 . 1 43 43 ILE HB H 1 1.514 0.000 . 1 . . . . . 87 ILE HB . 51811 1 306 . 1 . 1 43 43 ILE C C 13 173.671 0.000 . 1 . . . . . 87 ILE C . 51811 1 307 . 1 . 1 43 43 ILE CA C 13 62.721 0.000 . 1 . . . . . 87 ILE CA . 51811 1 308 . 1 . 1 43 43 ILE CB C 13 39.154 0.000 . 1 . . . . . 87 ILE CB . 51811 1 309 . 1 . 1 43 43 ILE N N 15 124.808 0.065 . 1 . . . . . 87 ILE N . 51811 1 310 . 1 . 1 44 44 ASN H H 1 8.085 0.006 . 1 . . . . . 88 ASN H . 51811 1 311 . 1 . 1 44 44 ASN HA H 1 4.907 0.000 . 1 . . . . . 88 ASN HA . 51811 1 312 . 1 . 1 44 44 ASN HB2 H 1 2.851 0.000 . 1 . . . . . 88 ASN HB2 . 51811 1 313 . 1 . 1 44 44 ASN C C 13 175.873 0.000 . 1 . . . . . 88 ASN C . 51811 1 314 . 1 . 1 44 44 ASN CA C 13 52.263 0.000 . 1 . . . . . 88 ASN CA . 51811 1 315 . 1 . 1 44 44 ASN CB C 13 38.977 0.000 . 1 . . . . . 88 ASN CB . 51811 1 316 . 1 . 1 44 44 ASN N N 15 125.142 0.023 . 1 . . . . . 88 ASN N . 51811 1 317 . 1 . 1 45 45 LEU H H 1 8.979 0.005 . 1 . . . . . 89 LEU H . 51811 1 318 . 1 . 1 45 45 LEU HA H 1 4.039 0.000 . 1 . . . . . 89 LEU HA . 51811 1 319 . 1 . 1 45 45 LEU HB2 H 1 1.362 0.000 . 1 . . . . . 89 LEU HB2 . 51811 1 320 . 1 . 1 45 45 LEU C C 13 178.259 0.000 . 1 . . . . . 89 LEU C . 51811 1 321 . 1 . 1 45 45 LEU CA C 13 57.951 0.000 . 1 . . . . . 89 LEU CA . 51811 1 322 . 1 . 1 45 45 LEU CB C 13 41.443 0.000 . 1 . . . . . 89 LEU CB . 51811 1 323 . 1 . 1 45 45 LEU N N 15 125.862 0.040 . 1 . . . . . 89 LEU N . 51811 1 324 . 1 . 1 46 46 TRP HE1 H 1 10.364 0.000 . 1 . . . . . 90 TRP HE1 . 51811 1 325 . 1 . 1 46 46 TRP C C 13 179.663 0.000 . 1 . . . . . 90 TRP C . 51811 1 326 . 1 . 1 46 46 TRP CA C 13 59.291 0.000 . 1 . . . . . 90 TRP CA . 51811 1 327 . 1 . 1 46 46 TRP CB C 13 29.454 0.000 . 1 . . . . . 90 TRP CB . 51811 1 328 . 1 . 1 46 46 TRP NE1 N 15 129.364 0.000 . 1 . . . . . 90 TRP NE1 . 51811 1 329 . 1 . 1 47 47 LYS H H 1 8.057 0.005 . 1 . . . . . 91 LYS H . 51811 1 330 . 1 . 1 47 47 LYS HA H 1 4.615 0.000 . 1 . . . . . 91 LYS HA . 51811 1 331 . 1 . 1 47 47 LYS HB2 H 1 2.811 0.000 . 1 . . . . . 91 LYS HB2 . 51811 1 332 . 1 . 1 47 47 LYS C C 13 178.309 0.000 . 1 . . . . . 91 LYS C . 51811 1 333 . 1 . 1 47 47 LYS CA C 13 59.104 0.000 . 1 . . . . . 91 LYS CA . 51811 1 334 . 1 . 1 47 47 LYS CB C 13 30.894 0.000 . 1 . . . . . 91 LYS CB . 51811 1 335 . 1 . 1 47 47 LYS N N 15 117.832 0.028 . 1 . . . . . 91 LYS N . 51811 1 336 . 1 . 1 48 48 ILE H H 1 8.428 0.008 . 1 . . . . . 92 ILE H . 51811 1 337 . 1 . 1 48 48 ILE HA H 1 3.945 0.000 . 1 . . . . . 92 ILE HA . 51811 1 338 . 1 . 1 48 48 ILE HB H 1 1.813 0.000 . 1 . . . . . 92 ILE HB . 51811 1 339 . 1 . 1 48 48 ILE C C 13 175.618 0.000 . 1 . . . . . 92 ILE C . 51811 1 340 . 1 . 1 48 48 ILE CA C 13 66.121 0.000 . 1 . . . . . 92 ILE CA . 51811 1 341 . 1 . 1 48 48 ILE CB C 13 37.157 0.051 . 1 . . . . . 92 ILE CB . 51811 1 342 . 1 . 1 48 48 ILE N N 15 118.799 0.014 . 1 . . . . . 92 ILE N . 51811 1 343 . 1 . 1 49 49 TYR H H 1 7.614 0.013 . 1 . . . . . 93 TYR H . 51811 1 344 . 1 . 1 49 49 TYR HA H 1 4.436 0.000 . 1 . . . . . 93 TYR HA . 51811 1 345 . 1 . 1 49 49 TYR HB2 H 1 3.111 0.000 . 1 . . . . . 93 TYR HB2 . 51811 1 346 . 1 . 1 49 49 TYR C C 13 178.207 0.000 . 1 . . . . . 93 TYR C . 51811 1 347 . 1 . 1 49 49 TYR CA C 13 60.814 0.089 . 1 . . . . . 93 TYR CA . 51811 1 348 . 1 . 1 49 49 TYR CB C 13 38.294 0.000 . 1 . . . . . 93 TYR CB . 51811 1 349 . 1 . 1 49 49 TYR N N 15 123.94 0.044 . 1 . . . . . 93 TYR N . 51811 1 350 . 1 . 1 50 50 LYS H H 1 8.042 0.005 . 1 . . . . . 94 LYS H . 51811 1 351 . 1 . 1 50 50 LYS HA H 1 2.968 0.000 . 1 . . . . . 94 LYS HA . 51811 1 352 . 1 . 1 50 50 LYS HB2 H 1 1.103 0.000 . 1 . . . . . 94 LYS HB2 . 51811 1 353 . 1 . 1 50 50 LYS C C 13 178.836 0.000 . 1 . . . . . 94 LYS C . 51811 1 354 . 1 . 1 50 50 LYS CA C 13 58 0.056 . 1 . . . . . 94 LYS CA . 51811 1 355 . 1 . 1 50 50 LYS CB C 13 30.951 0.136 . 1 . . . . . 94 LYS CB . 51811 1 356 . 1 . 1 50 50 LYS N N 15 118.82 0.031 . 1 . . . . . 94 LYS N . 51811 1 357 . 1 . 1 51 51 ALA H H 1 8.236 0.006 . 1 . . . . . 95 ALA H . 51811 1 358 . 1 . 1 51 51 ALA HA H 1 3.86 0.000 . 1 . . . . . 95 ALA HA . 51811 1 359 . 1 . 1 51 51 ALA HB1 H 1 1.224 0.000 . 1 . . . . . 95 ALA HB1 . 51811 1 360 . 1 . 1 51 51 ALA HB2 H 1 1.224 0.000 . 1 . . . . . 95 ALA HB2 . 51811 1 361 . 1 . 1 51 51 ALA HB3 H 1 1.224 0.000 . 1 . . . . . 95 ALA HB3 . 51811 1 362 . 1 . 1 51 51 ALA C C 13 179.171 0.000 . 1 . . . . . 95 ALA C . 51811 1 363 . 1 . 1 51 51 ALA CA C 13 54.87 0.000 . 1 . . . . . 95 ALA CA . 51811 1 364 . 1 . 1 51 51 ALA CB C 13 18.775 0.000 . 1 . . . . . 95 ALA CB . 51811 1 365 . 1 . 1 51 51 ALA N N 15 121.474 0.041 . 1 . . . . . 95 ALA N . 51811 1 366 . 1 . 1 52 52 VAL H H 1 7.497 0.006 . 1 . . . . . 96 VAL H . 51811 1 367 . 1 . 1 52 52 VAL HA H 1 3.053 0.000 . 1 . . . . . 96 VAL HA . 51811 1 368 . 1 . 1 52 52 VAL HB H 1 2.094 0.000 . 1 . . . . . 96 VAL HB . 51811 1 369 . 1 . 1 52 52 VAL C C 13 178.754 0.000 . 1 . . . . . 96 VAL C . 51811 1 370 . 1 . 1 52 52 VAL CA C 13 66.243 0.000 . 1 . . . . . 96 VAL CA . 51811 1 371 . 1 . 1 52 52 VAL CB C 13 30.945 0.000 . 1 . . . . . 96 VAL CB . 51811 1 372 . 1 . 1 52 52 VAL N N 15 115.667 0.012 . 1 . . . . . 96 VAL N . 51811 1 373 . 1 . 1 53 53 GLU H H 1 7.373 0.005 . 1 . . . . . 97 GLU H . 51811 1 374 . 1 . 1 53 53 GLU HA H 1 3.516 0.000 . 1 . . . . . 97 GLU HA . 51811 1 375 . 1 . 1 53 53 GLU HB2 H 1 1.704 0.000 . 1 . . . . . 97 GLU HB2 . 51811 1 376 . 1 . 1 53 53 GLU C C 13 180.162 0.000 . 1 . . . . . 97 GLU C . 51811 1 377 . 1 . 1 53 53 GLU CA C 13 59.417 0.000 . 1 . . . . . 97 GLU CA . 51811 1 378 . 1 . 1 53 53 GLU CB C 13 28.893 0.000 . 1 . . . . . 97 GLU CB . 51811 1 379 . 1 . 1 53 53 GLU N N 15 117.95 0.043 . 1 . . . . . 97 GLU N . 51811 1 380 . 1 . 1 54 54 LYS H H 1 8.006 0.008 . 1 . . . . . 98 LYS H . 51811 1 381 . 1 . 1 54 54 LYS HA H 1 3.806 0.000 . 1 . . . . . 98 LYS HA . 51811 1 382 . 1 . 1 54 54 LYS HB2 H 1 1.719 0.000 . 1 . . . . . 98 LYS HB2 . 51811 1 383 . 1 . 1 54 54 LYS C C 13 178.033 0.000 . 1 . . . . . 98 LYS C . 51811 1 384 . 1 . 1 54 54 LYS CA C 13 59.116 0.000 . 1 . . . . . 98 LYS CA . 51811 1 385 . 1 . 1 54 54 LYS CB C 13 32.015 0.000 . 1 . . . . . 98 LYS CB . 51811 1 386 . 1 . 1 54 54 LYS N N 15 120.513 0.019 . 1 . . . . . 98 LYS N . 51811 1 387 . 1 . 1 55 55 LEU H H 1 6.781 0.006 . 1 . . . . . 99 LEU H . 51811 1 388 . 1 . 1 55 55 LEU HA H 1 3.952 0.000 . 1 . . . . . 99 LEU HA . 51811 1 389 . 1 . 1 55 55 LEU HB2 H 1 1.274 0.000 . 1 . . . . . 99 LEU HB2 . 51811 1 390 . 1 . 1 55 55 LEU C C 13 175.04 0.000 . 1 . . . . . 99 LEU C . 51811 1 391 . 1 . 1 55 55 LEU CA C 13 54.729 0.000 . 1 . . . . . 99 LEU CA . 51811 1 392 . 1 . 1 55 55 LEU CB C 13 42.703 0.000 . 1 . . . . . 99 LEU CB . 51811 1 393 . 1 . 1 55 55 LEU N N 15 117.041 0.026 . 1 . . . . . 99 LEU N . 51811 1 394 . 1 . 1 56 56 GLY H H 1 7.143 0.005 . 1 . . . . . 100 GLY H . 51811 1 395 . 1 . 1 56 56 GLY HA2 H 1 4.365 0.000 . 2 . . . . . 100 GLY HA2 . 51811 1 396 . 1 . 1 56 56 GLY HA3 H 1 3.395 0.000 . 2 . . . . . 100 GLY HA3 . 51811 1 397 . 1 . 1 56 56 GLY C C 13 174.601 0.000 . 1 . . . . . 100 GLY C . 51811 1 398 . 1 . 1 56 56 GLY CA C 13 45.393 0.000 . 1 . . . . . 100 GLY CA . 51811 1 399 . 1 . 1 56 56 GLY N N 15 104.11 0.079 . 1 . . . . . 100 GLY N . 51811 1 400 . 1 . 1 57 57 ALA H H 1 8.186 0.006 . 1 . . . . . 101 ALA H . 51811 1 401 . 1 . 1 57 57 ALA HA H 1 3.592 0.000 . 1 . . . . . 101 ALA HA . 51811 1 402 . 1 . 1 57 57 ALA HB1 H 1 1.755 0.000 . 1 . . . . . 101 ALA HB1 . 51811 1 403 . 1 . 1 57 57 ALA HB2 H 1 1.755 0.000 . 1 . . . . . 101 ALA HB2 . 51811 1 404 . 1 . 1 57 57 ALA HB3 H 1 1.755 0.000 . 1 . . . . . 101 ALA HB3 . 51811 1 405 . 1 . 1 57 57 ALA C C 13 174.907 0.000 . 1 . . . . . 101 ALA C . 51811 1 406 . 1 . 1 57 57 ALA CA C 13 53.931 0.000 . 1 . . . . . 101 ALA CA . 51811 1 407 . 1 . 1 57 57 ALA CB C 13 18.505 0.000 . 1 . . . . . 101 ALA CB . 51811 1 408 . 1 . 1 57 57 ALA N N 15 117.113 0.023 . 1 . . . . . 101 ALA N . 51811 1 409 . 1 . 1 58 58 TYR H H 1 8.345 0.008 . 1 . . . . . 102 TYR H . 51811 1 410 . 1 . 1 58 58 TYR HA H 1 3.53 0.000 . 1 . . . . . 102 TYR HA . 51811 1 411 . 1 . 1 58 58 TYR HB2 H 1 2.882 0.000 . 1 . . . . . 102 TYR HB2 . 51811 1 412 . 1 . 1 58 58 TYR C C 13 176.398 0.000 . 1 . . . . . 102 TYR C . 51811 1 413 . 1 . 1 58 58 TYR CA C 13 63.314 0.000 . 1 . . . . . 102 TYR CA . 51811 1 414 . 1 . 1 58 58 TYR CB C 13 40.003 0.000 . 1 . . . . . 102 TYR CB . 51811 1 415 . 1 . 1 58 58 TYR N N 15 116.847 0.013 . 1 . . . . . 102 TYR N . 51811 1 416 . 1 . 1 59 59 GLU H H 1 9.172 0.007 . 1 . . . . . 103 GLU H . 51811 1 417 . 1 . 1 59 59 GLU HA H 1 3.642 0.000 . 1 . . . . . 103 GLU HA . 51811 1 418 . 1 . 1 59 59 GLU HB2 H 1 1.971 0.000 . 1 . . . . . 103 GLU HB2 . 51811 1 419 . 1 . 1 59 59 GLU C C 13 179.496 0.000 . 1 . . . . . 103 GLU C . 51811 1 420 . 1 . 1 59 59 GLU CA C 13 60.944 0.000 . 1 . . . . . 103 GLU CA . 51811 1 421 . 1 . 1 59 59 GLU CB C 13 28.692 0.000 . 1 . . . . . 103 GLU CB . 51811 1 422 . 1 . 1 59 59 GLU N N 15 120.446 0.015 . 1 . . . . . 103 GLU N . 51811 1 423 . 1 . 1 60 60 LEU H H 1 8.049 0.006 . 1 . . . . . 104 LEU H . 51811 1 424 . 1 . 1 60 60 LEU HA H 1 4.004 0.000 . 1 . . . . . 104 LEU HA . 51811 1 425 . 1 . 1 60 60 LEU HB2 H 1 1.399 0.000 . 1 . . . . . 104 LEU HB2 . 51811 1 426 . 1 . 1 60 60 LEU C C 13 178.928 0.000 . 1 . . . . . 104 LEU C . 51811 1 427 . 1 . 1 60 60 LEU CA C 13 57.954 0.000 . 1 . . . . . 104 LEU CA . 51811 1 428 . 1 . 1 60 60 LEU CB C 13 41.756 0.000 . 1 . . . . . 104 LEU CB . 51811 1 429 . 1 . 1 60 60 LEU N N 15 123.676 0.026 . 1 . . . . . 104 LEU N . 51811 1 430 . 1 . 1 61 61 VAL H H 1 8.058 0.006 . 1 . . . . . 105 VAL H . 51811 1 431 . 1 . 1 61 61 VAL HA H 1 2.958 0.000 . 1 . . . . . 105 VAL HA . 51811 1 432 . 1 . 1 61 61 VAL HB H 1 1.008 0.000 . 1 . . . . . 105 VAL HB . 51811 1 433 . 1 . 1 61 61 VAL C C 13 177.812 0.000 . 1 . . . . . 105 VAL C . 51811 1 434 . 1 . 1 61 61 VAL CA C 13 66.501 0.000 . 1 . . . . . 105 VAL CA . 51811 1 435 . 1 . 1 61 61 VAL CB C 13 31.176 0.000 . 1 . . . . . 105 VAL CB . 51811 1 436 . 1 . 1 61 61 VAL N N 15 119.683 0.016 . 1 . . . . . 105 VAL N . 51811 1 437 . 1 . 1 62 62 THR H H 1 7.861 0.004 . 1 . . . . . 106 THR H . 51811 1 438 . 1 . 1 62 62 THR HA H 1 3.978 0.000 . 1 . . . . . 106 THR HA . 51811 1 439 . 1 . 1 62 62 THR HB H 1 4.462 0.000 . 1 . . . . . 106 THR HB . 51811 1 440 . 1 . 1 62 62 THR C C 13 177.871 0.000 . 1 . . . . . 106 THR C . 51811 1 441 . 1 . 1 62 62 THR CA C 13 66.52 0.000 . 1 . . . . . 106 THR CA . 51811 1 442 . 1 . 1 62 62 THR CB C 13 68.614 0.000 . 1 . . . . . 106 THR CB . 51811 1 443 . 1 . 1 62 62 THR N N 15 114.475 0.036 . 1 . . . . . 106 THR N . 51811 1 444 . 1 . 1 63 63 GLY H H 1 8.59 0.005 . 1 . . . . . 107 GLY H . 51811 1 445 . 1 . 1 63 63 GLY HA2 H 1 3.817 0.000 . 1 . . . . . 107 GLY HA2 . 51811 1 446 . 1 . 1 63 63 GLY C C 13 175.535 0.000 . 1 . . . . . 107 GLY C . 51811 1 447 . 1 . 1 63 63 GLY CA C 13 47.316 0.000 . 1 . . . . . 107 GLY CA . 51811 1 448 . 1 . 1 63 63 GLY N N 15 111.839 0.041 . 1 . . . . . 107 GLY N . 51811 1 449 . 1 . 1 64 64 ARG H H 1 8.395 0.005 . 1 . . . . . 108 ARG H . 51811 1 450 . 1 . 1 64 64 ARG HA H 1 4.264 0.000 . 1 . . . . . 108 ARG HA . 51811 1 451 . 1 . 1 64 64 ARG HB2 H 1 1.803 0.000 . 1 . . . . . 108 ARG HB2 . 51811 1 452 . 1 . 1 64 64 ARG C C 13 174.587 0.000 . 1 . . . . . 108 ARG C . 51811 1 453 . 1 . 1 64 64 ARG CA C 13 55.942 0.000 . 1 . . . . . 108 ARG CA . 51811 1 454 . 1 . 1 64 64 ARG CB C 13 29.538 0.000 . 1 . . . . . 108 ARG CB . 51811 1 455 . 1 . 1 64 64 ARG N N 15 117.021 0.024 . 1 . . . . . 108 ARG N . 51811 1 456 . 1 . 1 65 65 ARG H H 1 7.45 0.005 . 1 . . . . . 109 ARG H . 51811 1 457 . 1 . 1 65 65 ARG HA H 1 4.18 0.000 . 1 . . . . . 109 ARG HA . 51811 1 458 . 1 . 1 65 65 ARG HB2 H 1 1.997 0.000 . 1 . . . . . 109 ARG HB2 . 51811 1 459 . 1 . 1 65 65 ARG C C 13 177.416 0.000 . 1 . . . . . 109 ARG C . 51811 1 460 . 1 . 1 65 65 ARG CA C 13 57.455 0.000 . 1 . . . . . 109 ARG CA . 51811 1 461 . 1 . 1 65 65 ARG CB C 13 26.036 0.000 . 1 . . . . . 109 ARG CB . 51811 1 462 . 1 . 1 65 65 ARG N N 15 115.467 0.029 . 1 . . . . . 109 ARG N . 51811 1 463 . 1 . 1 66 66 LEU H H 1 8.711 0.006 . 1 . . . . . 110 LEU H . 51811 1 464 . 1 . 1 66 66 LEU HA H 1 4.74 0.000 . 1 . . . . . 110 LEU HA . 51811 1 465 . 1 . 1 66 66 LEU HB2 H 1 1.853 0.000 . 2 . . . . . 110 LEU HB2 . 51811 1 466 . 1 . 1 66 66 LEU HB3 H 1 1.288 0.000 . 2 . . . . . 110 LEU HB3 . 51811 1 467 . 1 . 1 66 66 LEU C C 13 177.64 0.000 . 1 . . . . . 110 LEU C . 51811 1 468 . 1 . 1 66 66 LEU CA C 13 53.638 0.000 . 1 . . . . . 110 LEU CA . 51811 1 469 . 1 . 1 66 66 LEU CB C 13 42.433 0.000 . 1 . . . . . 110 LEU CB . 51811 1 470 . 1 . 1 66 66 LEU N N 15 117.619 0.025 . 1 . . . . . 110 LEU N . 51811 1 471 . 1 . 1 67 67 TRP H H 1 7.705 0.004 . 1 . . . . . 111 TRP H . 51811 1 472 . 1 . 1 67 67 TRP HA H 1 3.88 0.000 . 1 . . . . . 111 TRP HA . 51811 1 473 . 1 . 1 67 67 TRP HB2 H 1 3.379 0.000 . 1 . . . . . 111 TRP HB2 . 51811 1 474 . 1 . 1 67 67 TRP HE1 H 1 9.808 0.000 . 1 . . . . . 111 TRP HE1 . 51811 1 475 . 1 . 1 67 67 TRP C C 13 179.08 0.000 . 1 . . . . . 111 TRP C . 51811 1 476 . 1 . 1 67 67 TRP CA C 13 61.806 0.000 . 1 . . . . . 111 TRP CA . 51811 1 477 . 1 . 1 67 67 TRP CB C 13 28.565 0.000 . 1 . . . . . 111 TRP CB . 51811 1 478 . 1 . 1 67 67 TRP N N 15 120.506 0.034 . 1 . . . . . 111 TRP N . 51811 1 479 . 1 . 1 67 67 TRP NE1 N 15 128.315 0.000 . 1 . . . . . 111 TRP NE1 . 51811 1 480 . 1 . 1 68 68 LYS H H 1 8.97 0.005 . 1 . . . . . 112 LYS H . 51811 1 481 . 1 . 1 68 68 LYS HA H 1 3.914 0.000 . 1 . . . . . 112 LYS HA . 51811 1 482 . 1 . 1 68 68 LYS HB2 H 1 1.861 0.000 . 1 . . . . . 112 LYS HB2 . 51811 1 483 . 1 . 1 68 68 LYS C C 13 176.808 0.000 . 1 . . . . . 112 LYS C . 51811 1 484 . 1 . 1 68 68 LYS CA C 13 59.176 0.000 . 1 . . . . . 112 LYS CA . 51811 1 485 . 1 . 1 68 68 LYS CB C 13 31.804 0.000 . 1 . . . . . 112 LYS CB . 51811 1 486 . 1 . 1 68 68 LYS N N 15 120.305 0.024 . 1 . . . . . 112 LYS N . 51811 1 487 . 1 . 1 69 69 ASN H H 1 7.601 0.005 . 1 . . . . . 113 ASN H . 51811 1 488 . 1 . 1 69 69 ASN HA H 1 4.419 0.000 . 1 . . . . . 113 ASN HA . 51811 1 489 . 1 . 1 69 69 ASN HB2 H 1 2.758 0.000 . 1 . . . . . 113 ASN HB2 . 51811 1 490 . 1 . 1 69 69 ASN HD21 H 1 7.541 0.000 . 1 . . . . . 113 ASN HD21 . 51811 1 491 . 1 . 1 69 69 ASN HD22 H 1 6.849 0.000 . 1 . . . . . 113 ASN HD22 . 51811 1 492 . 1 . 1 69 69 ASN C C 13 177.994 0.000 . 1 . . . . . 113 ASN C . 51811 1 493 . 1 . 1 69 69 ASN CA C 13 56.715 0.000 . 1 . . . . . 113 ASN CA . 51811 1 494 . 1 . 1 69 69 ASN CB C 13 36.84 0.000 . 1 . . . . . 113 ASN CB . 51811 1 495 . 1 . 1 69 69 ASN N N 15 117.272 0.018 . 1 . . . . . 113 ASN N . 51811 1 496 . 1 . 1 69 69 ASN ND2 N 15 111.713 0.001 . 1 . . . . . 113 ASN ND2 . 51811 1 497 . 1 . 1 70 70 VAL H H 1 7.426 0.005 . 1 . . . . . 114 VAL H . 51811 1 498 . 1 . 1 70 70 VAL HA H 1 3.234 0.000 . 1 . . . . . 114 VAL HA . 51811 1 499 . 1 . 1 70 70 VAL HB H 1 2.525 0.000 . 1 . . . . . 114 VAL HB . 51811 1 500 . 1 . 1 70 70 VAL C C 13 176.377 0.000 . 1 . . . . . 114 VAL C . 51811 1 501 . 1 . 1 70 70 VAL CA C 13 66.772 0.000 . 1 . . . . . 114 VAL CA . 51811 1 502 . 1 . 1 70 70 VAL CB C 13 31.472 0.000 . 1 . . . . . 114 VAL CB . 51811 1 503 . 1 . 1 70 70 VAL N N 15 119.837 0.022 . 1 . . . . . 114 VAL N . 51811 1 504 . 1 . 1 71 71 TYR H H 1 7.935 0.005 . 1 . . . . . 115 TYR H . 51811 1 505 . 1 . 1 71 71 TYR HA H 1 3.835 0.000 . 1 . . . . . 115 TYR HA . 51811 1 506 . 1 . 1 71 71 TYR HB2 H 1 3.318 0.000 . 1 . . . . . 115 TYR HB2 . 51811 1 507 . 1 . 1 71 71 TYR C C 13 178.195 0.000 . 1 . . . . . 115 TYR C . 51811 1 508 . 1 . 1 71 71 TYR CA C 13 62.481 0.000 . 1 . . . . . 115 TYR CA . 51811 1 509 . 1 . 1 71 71 TYR CB C 13 37.165 0.000 . 1 . . . . . 115 TYR CB . 51811 1 510 . 1 . 1 71 71 TYR N N 15 119.915 0.021 . 1 . . . . . 115 TYR N . 51811 1 511 . 1 . 1 72 72 ASP H H 1 8.651 0.005 . 1 . . . . . 116 ASP H . 51811 1 512 . 1 . 1 72 72 ASP HA H 1 4.226 0.000 . 1 . . . . . 116 ASP HA . 51811 1 513 . 1 . 1 72 72 ASP HB2 H 1 2.68 0.000 . 1 . . . . . 116 ASP HB2 . 51811 1 514 . 1 . 1 72 72 ASP C C 13 180.042 0.000 . 1 . . . . . 116 ASP C . 51811 1 515 . 1 . 1 72 72 ASP CA C 13 57.366 0.000 . 1 . . . . . 116 ASP CA . 51811 1 516 . 1 . 1 72 72 ASP CB C 13 39.947 0.000 . 1 . . . . . 116 ASP CB . 51811 1 517 . 1 . 1 72 72 ASP N N 15 119.892 0.015 . 1 . . . . . 116 ASP N . 51811 1 518 . 1 . 1 73 73 GLU H H 1 7.964 0.005 . 1 . . . . . 117 GLU H . 51811 1 519 . 1 . 1 73 73 GLU HA H 1 3.971 0.000 . 1 . . . . . 117 GLU HA . 51811 1 520 . 1 . 1 73 73 GLU HB2 H 1 2.033 0.000 . 1 . . . . . 117 GLU HB2 . 51811 1 521 . 1 . 1 73 73 GLU C C 13 178.196 0.000 . 1 . . . . . 117 GLU C . 51811 1 522 . 1 . 1 73 73 GLU CA C 13 58.694 0.000 . 1 . . . . . 117 GLU CA . 51811 1 523 . 1 . 1 73 73 GLU CB C 13 29.095 0.000 . 1 . . . . . 117 GLU CB . 51811 1 524 . 1 . 1 73 73 GLU N N 15 122.147 0.022 . 1 . . . . . 117 GLU N . 51811 1 525 . 1 . 1 74 74 LEU H H 1 7.6 0.008 . 1 . . . . . 118 LEU H . 51811 1 526 . 1 . 1 74 74 LEU HA H 1 4.02 0.000 . 1 . . . . . 118 LEU HA . 51811 1 527 . 1 . 1 74 74 LEU HB2 H 1 1.733 0.000 . 1 . . . . . 118 LEU HB2 . 51811 1 528 . 1 . 1 74 74 LEU C C 13 177.857 0.176 . 1 . . . . . 118 LEU C . 51811 1 529 . 1 . 1 74 74 LEU CA C 13 55.44 0.033 . 1 . . . . . 118 LEU CA . 51811 1 530 . 1 . 1 74 74 LEU CB C 13 41.303 0.003 . 1 . . . . . 118 LEU CB . 51811 1 531 . 1 . 1 74 74 LEU N N 15 117.415 0.169 . 1 . . . . . 118 LEU N . 51811 1 532 . 1 . 1 75 75 GLY H H 1 7.706 0.007 . 1 . . . . . 119 GLY H . 51811 1 533 . 1 . 1 75 75 GLY HA2 H 1 3.782 0.000 . 1 . . . . . 119 GLY HA2 . 51811 1 534 . 1 . 1 75 75 GLY C C 13 175.017 0.000 . 1 . . . . . 119 GLY C . 51811 1 535 . 1 . 1 75 75 GLY CA C 13 45.703 0.000 . 1 . . . . . 119 GLY CA . 51811 1 536 . 1 . 1 75 75 GLY N N 15 106.251 0.056 . 1 . . . . . 119 GLY N . 51811 1 537 . 1 . 1 76 76 GLY H H 1 7.743 0.005 . 1 . . . . . 120 GLY H . 51811 1 538 . 1 . 1 76 76 GLY HA2 H 1 3.645 0.000 . 2 . . . . . 120 GLY HA2 . 51811 1 539 . 1 . 1 76 76 GLY HA3 H 1 2.619 0.000 . 2 . . . . . 120 GLY HA3 . 51811 1 540 . 1 . 1 76 76 GLY C C 13 173.605 0.000 . 1 . . . . . 120 GLY C . 51811 1 541 . 1 . 1 76 76 GLY CA C 13 45.021 0.000 . 1 . . . . . 120 GLY CA . 51811 1 542 . 1 . 1 76 76 GLY N N 15 107.319 0.053 . 1 . . . . . 120 GLY N . 51811 1 543 . 1 . 1 77 77 SER H H 1 8.115 0.005 . 1 . . . . . 121 SER H . 51811 1 544 . 1 . 1 77 77 SER HA H 1 4.645 0.000 . 1 . . . . . 121 SER HA . 51811 1 545 . 1 . 1 77 77 SER HB2 H 1 3.858 0.000 . 1 . . . . . 121 SER HB2 . 51811 1 546 . 1 . 1 77 77 SER C C 13 178.298 0.000 . 1 . . . . . 121 SER C . 51811 1 547 . 1 . 1 77 77 SER CA C 13 57.278 0.000 . 1 . . . . . 121 SER CA . 51811 1 548 . 1 . 1 77 77 SER CB C 13 63.016 0.000 . 1 . . . . . 121 SER CB . 51811 1 549 . 1 . 1 77 77 SER N N 15 118.085 0.028 . 1 . . . . . 121 SER N . 51811 1 550 . 1 . 1 78 78 PRO HA H 1 4.582 0.000 . 1 . . . . . 122 PRO HA . 51811 1 551 . 1 . 1 78 78 PRO HB2 H 1 2.319 0.000 . 2 . . . . . 122 PRO HB2 . 51811 1 552 . 1 . 1 78 78 PRO HB3 H 1 1.939 0.000 . 2 . . . . . 122 PRO HB3 . 51811 1 553 . 1 . 1 78 78 PRO C C 13 177.667 0.000 . 1 . . . . . 122 PRO C . 51811 1 554 . 1 . 1 78 78 PRO CA C 13 63.8 0.000 . 1 . . . . . 122 PRO CA . 51811 1 555 . 1 . 1 78 78 PRO CB C 13 32.27 0.000 . 1 . . . . . 122 PRO CB . 51811 1 556 . 1 . 1 79 79 GLY H H 1 8.759 0.005 . 1 . . . . . 123 GLY H . 51811 1 557 . 1 . 1 79 79 GLY HA2 H 1 3.872 0.000 . 1 . . . . . 123 GLY HA2 . 51811 1 558 . 1 . 1 79 79 GLY C C 13 177.297 0.000 . 1 . . . . . 123 GLY C . 51811 1 559 . 1 . 1 79 79 GLY CA C 13 45.773 0.000 . 1 . . . . . 123 GLY CA . 51811 1 560 . 1 . 1 79 79 GLY N N 15 109.087 0.055 . 1 . . . . . 123 GLY N . 51811 1 561 . 1 . 1 80 80 SER H H 1 7.788 0.004 . 1 . . . . . 124 SER H . 51811 1 562 . 1 . 1 80 80 SER HA H 1 4.256 0.000 . 1 . . . . . 124 SER HA . 51811 1 563 . 1 . 1 80 80 SER HB2 H 1 3.823 0.000 . 1 . . . . . 124 SER HB2 . 51811 1 564 . 1 . 1 80 80 SER C C 13 177.72 0.000 . 1 . . . . . 124 SER C . 51811 1 565 . 1 . 1 80 80 SER CA C 13 57.304 0.000 . 1 . . . . . 124 SER CA . 51811 1 566 . 1 . 1 80 80 SER CB C 13 64.035 0.000 . 1 . . . . . 124 SER CB . 51811 1 567 . 1 . 1 80 80 SER N N 15 115.11 0.026 . 1 . . . . . 124 SER N . 51811 1 568 . 1 . 1 81 81 THR H H 1 8.054 0.004 . 1 . . . . . 125 THR H . 51811 1 569 . 1 . 1 81 81 THR HA H 1 4.488 0.000 . 1 . . . . . 125 THR HA . 51811 1 570 . 1 . 1 81 81 THR C C 13 179.148 0.000 . 1 . . . . . 125 THR C . 51811 1 571 . 1 . 1 81 81 THR CA C 13 57.963 0.000 . 1 . . . . . 125 THR CA . 51811 1 572 . 1 . 1 81 81 THR N N 15 118.936 0.009 . 1 . . . . . 125 THR N . 51811 1 573 . 1 . 1 82 82 SER H H 1 7.556 0.014 . 1 . . . . . 126 SER H . 51811 1 574 . 1 . 1 82 82 SER HA H 1 4.477 0.000 . 1 . . . . . 126 SER HA . 51811 1 575 . 1 . 1 82 82 SER HB2 H 1 3.921 0.000 . 1 . . . . . 126 SER HB2 . 51811 1 576 . 1 . 1 82 82 SER C C 13 174.698 0.000 . 1 . . . . . 126 SER C . 51811 1 577 . 1 . 1 82 82 SER CA C 13 58.49 0.000 . 1 . . . . . 126 SER CA . 51811 1 578 . 1 . 1 82 82 SER CB C 13 63.203 0.000 . 1 . . . . . 126 SER CB . 51811 1 579 . 1 . 1 82 82 SER N N 15 118.588 0.070 . 1 . . . . . 126 SER N . 51811 1 580 . 1 . 1 83 83 ALA H H 1 7.248 0.007 . 1 . . . . . 127 ALA H . 51811 1 581 . 1 . 1 83 83 ALA HA H 1 3.577 0.000 . 1 . . . . . 127 ALA HA . 51811 1 582 . 1 . 1 83 83 ALA HB1 H 1 0.419 0.000 . 1 . . . . . 127 ALA HB1 . 51811 1 583 . 1 . 1 83 83 ALA HB2 H 1 0.419 0.000 . 1 . . . . . 127 ALA HB2 . 51811 1 584 . 1 . 1 83 83 ALA HB3 H 1 0.419 0.000 . 1 . . . . . 127 ALA HB3 . 51811 1 585 . 1 . 1 83 83 ALA C C 13 180.036 0.000 . 1 . . . . . 127 ALA C . 51811 1 586 . 1 . 1 83 83 ALA CA C 13 55.558 0.000 . 1 . . . . . 127 ALA CA . 51811 1 587 . 1 . 1 83 83 ALA CB C 13 17.34 0.000 . 1 . . . . . 127 ALA CB . 51811 1 588 . 1 . 1 83 83 ALA N N 15 124.654 0.019 . 1 . . . . . 127 ALA N . 51811 1 589 . 1 . 1 84 84 ALA H H 1 8.477 0.004 . 1 . . . . . 128 ALA H . 51811 1 590 . 1 . 1 84 84 ALA HA H 1 3.685 0.000 . 1 . . . . . 128 ALA HA . 51811 1 591 . 1 . 1 84 84 ALA HB1 H 1 1.409 0.000 . 1 . . . . . 128 ALA HB1 . 51811 1 592 . 1 . 1 84 84 ALA HB2 H 1 1.409 0.000 . 1 . . . . . 128 ALA HB2 . 51811 1 593 . 1 . 1 84 84 ALA HB3 H 1 1.409 0.000 . 1 . . . . . 128 ALA HB3 . 51811 1 594 . 1 . 1 84 84 ALA C C 13 179.029 0.000 . 1 . . . . . 128 ALA C . 51811 1 595 . 1 . 1 84 84 ALA CA C 13 55.983 0.000 . 1 . . . . . 128 ALA CA . 51811 1 596 . 1 . 1 84 84 ALA CB C 13 18.766 0.000 . 1 . . . . . 128 ALA CB . 51811 1 597 . 1 . 1 84 84 ALA N N 15 121.743 0.029 . 1 . . . . . 128 ALA N . 51811 1 598 . 1 . 1 85 85 THR H H 1 7.794 0.006 . 1 . . . . . 129 THR H . 51811 1 599 . 1 . 1 85 85 THR HA H 1 3.671 0.000 . 1 . . . . . 129 THR HA . 51811 1 600 . 1 . 1 85 85 THR HB H 1 4.118 0.000 . 1 . . . . . 129 THR HB . 51811 1 601 . 1 . 1 85 85 THR C C 13 176.268 0.000 . 1 . . . . . 129 THR C . 51811 1 602 . 1 . 1 85 85 THR CA C 13 66.062 0.000 . 1 . . . . . 129 THR CA . 51811 1 603 . 1 . 1 85 85 THR CB C 13 68.442 0.000 . 1 . . . . . 129 THR CB . 51811 1 604 . 1 . 1 85 85 THR N N 15 114.4 0.069 . 1 . . . . . 129 THR N . 51811 1 605 . 1 . 1 86 86 CYS H H 1 8.214 0.004 . 1 . . . . . 130 CYS H . 51811 1 606 . 1 . 1 86 86 CYS HA H 1 4.045 0.000 . 1 . . . . . 130 CYS HA . 51811 1 607 . 1 . 1 86 86 CYS HB2 H 1 2.728 0.000 . 1 . . . . . 130 CYS HB2 . 51811 1 608 . 1 . 1 86 86 CYS C C 13 175.974 0.048 . 1 . . . . . 130 CYS C . 51811 1 609 . 1 . 1 86 86 CYS CA C 13 62.911 0.030 . 1 . . . . . 130 CYS CA . 51811 1 610 . 1 . 1 86 86 CYS CB C 13 26.906 0.009 . 1 . . . . . 130 CYS CB . 51811 1 611 . 1 . 1 86 86 CYS N N 15 119.666 0.037 . 1 . . . . . 130 CYS N . 51811 1 612 . 1 . 1 87 87 THR H H 1 7.801 0.003 . 1 . . . . . 131 THR H . 51811 1 613 . 1 . 1 87 87 THR HA H 1 4.377 0.000 . 1 . . . . . 131 THR HA . 51811 1 614 . 1 . 1 87 87 THR HB H 1 3.658 0.000 . 1 . . . . . 131 THR HB . 51811 1 615 . 1 . 1 87 87 THR C C 13 174.671 0.000 . 1 . . . . . 131 THR C . 51811 1 616 . 1 . 1 87 87 THR CA C 13 68.172 0.061 . 1 . . . . . 131 THR CA . 51811 1 617 . 1 . 1 87 87 THR N N 15 116.343 0.026 . 1 . . . . . 131 THR N . 51811 1 618 . 1 . 1 88 88 ARG H H 1 7.225 0.004 . 1 . . . . . 132 ARG H . 51811 1 619 . 1 . 1 88 88 ARG HA H 1 3.912 0.000 . 1 . . . . . 132 ARG HA . 51811 1 620 . 1 . 1 88 88 ARG HB2 H 1 1.767 0.000 . 1 . . . . . 132 ARG HB2 . 51811 1 621 . 1 . 1 88 88 ARG C C 13 177.479 0.000 . 1 . . . . . 132 ARG C . 51811 1 622 . 1 . 1 88 88 ARG CA C 13 58.992 0.000 . 1 . . . . . 132 ARG CA . 51811 1 623 . 1 . 1 88 88 ARG CB C 13 28.99 0.000 . 1 . . . . . 132 ARG CB . 51811 1 624 . 1 . 1 88 88 ARG N N 15 121.061 0.044 . 1 . . . . . 132 ARG N . 51811 1 625 . 1 . 1 89 89 ARG H H 1 7.725 0.006 . 1 . . . . . 133 ARG H . 51811 1 626 . 1 . 1 89 89 ARG HA H 1 3.89 0.000 . 1 . . . . . 133 ARG HA . 51811 1 627 . 1 . 1 89 89 ARG HB2 H 1 1.573 0.000 . 1 . . . . . 133 ARG HB2 . 51811 1 628 . 1 . 1 89 89 ARG C C 13 179.773 0.000 . 1 . . . . . 133 ARG C . 51811 1 629 . 1 . 1 89 89 ARG CA C 13 59.09 0.000 . 1 . . . . . 133 ARG CA . 51811 1 630 . 1 . 1 89 89 ARG CB C 13 29.363 0.000 . 1 . . . . . 133 ARG CB . 51811 1 631 . 1 . 1 89 89 ARG N N 15 116.99 0.025 . 1 . . . . . 133 ARG N . 51811 1 632 . 1 . 1 90 90 HIS H H 1 8.424 0.000 . 1 . . . . . 134 HIS H . 51811 1 633 . 1 . 1 90 90 HIS HA H 1 4.645 0.000 . 1 . . . . . 134 HIS HA . 51811 1 634 . 1 . 1 90 90 HIS HB2 H 1 3.016 0.000 . 2 . . . . . 134 HIS HB2 . 51811 1 635 . 1 . 1 90 90 HIS HB3 H 1 2.763 0.000 . 2 . . . . . 134 HIS HB3 . 51811 1 636 . 1 . 1 90 90 HIS C C 13 178.327 0.000 . 1 . . . . . 134 HIS C . 51811 1 637 . 1 . 1 90 90 HIS CA C 13 59.14 0.104 . 1 . . . . . 134 HIS CA . 51811 1 638 . 1 . 1 90 90 HIS CB C 13 30.775 0.004 . 1 . . . . . 134 HIS CB . 51811 1 639 . 1 . 1 90 90 HIS N N 15 119.992 0.000 . 1 . . . . . 134 HIS N . 51811 1 640 . 1 . 1 91 91 TYR H H 1 8.321 0.006 . 1 . . . . . 135 TYR H . 51811 1 641 . 1 . 1 91 91 TYR HA H 1 3.87 0.000 . 1 . . . . . 135 TYR HA . 51811 1 642 . 1 . 1 91 91 TYR HB2 H 1 3.182 0.000 . 1 . . . . . 135 TYR HB2 . 51811 1 643 . 1 . 1 91 91 TYR C C 13 178.703 0.000 . 1 . . . . . 135 TYR C . 51811 1 644 . 1 . 1 91 91 TYR CA C 13 63.408 0.010 . 1 . . . . . 135 TYR CA . 51811 1 645 . 1 . 1 91 91 TYR CB C 13 39.605 0.004 . 1 . . . . . 135 TYR CB . 51811 1 646 . 1 . 1 91 91 TYR N N 15 119.546 0.028 . 1 . . . . . 135 TYR N . 51811 1 647 . 1 . 1 92 92 GLU H H 1 9.049 0.008 . 1 . . . . . 136 GLU H . 51811 1 648 . 1 . 1 92 92 GLU HA H 1 3.801 0.000 . 1 . . . . . 136 GLU HA . 51811 1 649 . 1 . 1 92 92 GLU HB2 H 1 2.315 0.000 . 2 . . . . . 136 GLU HB2 . 51811 1 650 . 1 . 1 92 92 GLU HB3 H 1 1.872 0.000 . 2 . . . . . 136 GLU HB3 . 51811 1 651 . 1 . 1 92 92 GLU C C 13 177.292 0.000 . 1 . . . . . 136 GLU C . 51811 1 652 . 1 . 1 92 92 GLU CA C 13 59.135 0.002 . 1 . . . . . 136 GLU CA . 51811 1 653 . 1 . 1 92 92 GLU CB C 13 29.683 0.042 . 1 . . . . . 136 GLU CB . 51811 1 654 . 1 . 1 92 92 GLU N N 15 119.974 0.022 . 1 . . . . . 136 GLU N . 51811 1 655 . 1 . 1 93 93 ARG H H 1 7.777 0.018 . 1 . . . . . 137 ARG H . 51811 1 656 . 1 . 1 93 93 ARG HA H 1 4.23 0.000 . 1 . . . . . 137 ARG HA . 51811 1 657 . 1 . 1 93 93 ARG HB2 H 1 1.878 0.000 . 1 . . . . . 137 ARG HB2 . 51811 1 658 . 1 . 1 93 93 ARG C C 13 177.698 0.000 . 1 . . . . . 137 ARG C . 51811 1 659 . 1 . 1 93 93 ARG CA C 13 58.672 0.040 . 1 . . . . . 137 ARG CA . 51811 1 660 . 1 . 1 93 93 ARG CB C 13 31.806 0.056 . 1 . . . . . 137 ARG CB . 51811 1 661 . 1 . 1 93 93 ARG N N 15 115.202 0.080 . 1 . . . . . 137 ARG N . 51811 1 662 . 1 . 1 94 94 LEU H H 1 7.995 0.005 . 1 . . . . . 138 LEU H . 51811 1 663 . 1 . 1 94 94 LEU HA H 1 4.332 0.000 . 1 . . . . . 138 LEU HA . 51811 1 664 . 1 . 1 94 94 LEU HB2 H 1 1.854 0.000 . 2 . . . . . 138 LEU HB2 . 51811 1 665 . 1 . 1 94 94 LEU HB3 H 1 1.299 0.000 . 2 . . . . . 138 LEU HB3 . 51811 1 666 . 1 . 1 94 94 LEU C C 13 176.135 0.000 . 1 . . . . . 138 LEU C . 51811 1 667 . 1 . 1 94 94 LEU CA C 13 56.576 0.050 . 1 . . . . . 138 LEU CA . 51811 1 668 . 1 . 1 94 94 LEU CB C 13 44.846 0.013 . 1 . . . . . 138 LEU CB . 51811 1 669 . 1 . 1 94 94 LEU N N 15 113.199 0.028 . 1 . . . . . 138 LEU N . 51811 1 670 . 1 . 1 95 95 VAL H H 1 7.704 0.004 . 1 . . . . . 139 VAL H . 51811 1 671 . 1 . 1 95 95 VAL HA H 1 4.252 0.000 . 1 . . . . . 139 VAL HA . 51811 1 672 . 1 . 1 95 95 VAL HB H 1 1.235 0.000 . 1 . . . . . 139 VAL HB . 51811 1 673 . 1 . 1 95 95 VAL C C 13 175.309 0.000 . 1 . . . . . 139 VAL C . 51811 1 674 . 1 . 1 95 95 VAL CA C 13 63.666 0.031 . 1 . . . . . 139 VAL CA . 51811 1 675 . 1 . 1 95 95 VAL CB C 13 34.833 0.007 . 1 . . . . . 139 VAL CB . 51811 1 676 . 1 . 1 95 95 VAL N N 15 114.88 0.035 . 1 . . . . . 139 VAL N . 51811 1 677 . 1 . 1 96 96 LEU H H 1 7.638 0.007 . 1 . . . . . 140 LEU H . 51811 1 678 . 1 . 1 96 96 LEU HA H 1 3.957 0.000 . 1 . . . . . 140 LEU HA . 51811 1 679 . 1 . 1 96 96 LEU HB2 H 1 2.168 0.000 . 2 . . . . . 140 LEU HB2 . 51811 1 680 . 1 . 1 96 96 LEU HB3 H 1 1.106 0.000 . 2 . . . . . 140 LEU HB3 . 51811 1 681 . 1 . 1 96 96 LEU C C 13 172.928 0.000 . 1 . . . . . 140 LEU C . 51811 1 682 . 1 . 1 96 96 LEU CA C 13 58.874 0.000 . 1 . . . . . 140 LEU CA . 51811 1 683 . 1 . 1 96 96 LEU CB C 13 40.325 0.000 . 1 . . . . . 140 LEU CB . 51811 1 684 . 1 . 1 96 96 LEU N N 15 119.215 0.042 . 1 . . . . . 140 LEU N . 51811 1 685 . 1 . 1 97 97 PRO HA H 1 4.113 0.000 . 1 . . . . . 141 PRO HA . 51811 1 686 . 1 . 1 97 97 PRO HB2 H 1 2.275 0.000 . 2 . . . . . 141 PRO HB2 . 51811 1 687 . 1 . 1 97 97 PRO HB3 H 1 1.835 0.000 . 2 . . . . . 141 PRO HB3 . 51811 1 688 . 1 . 1 97 97 PRO C C 13 179.241 0.000 . 1 . . . . . 141 PRO C . 51811 1 689 . 1 . 1 97 97 PRO CA C 13 66.883 0.022 . 1 . . . . . 141 PRO CA . 51811 1 690 . 1 . 1 97 97 PRO CB C 13 30.767 0.038 . 1 . . . . . 141 PRO CB . 51811 1 691 . 1 . 1 98 98 TYR H H 1 7.865 0.005 . 1 . . . . . 142 TYR H . 51811 1 692 . 1 . 1 98 98 TYR HA H 1 3.263 0.000 . 1 . . . . . 142 TYR HA . 51811 1 693 . 1 . 1 98 98 TYR HB2 H 1 2.771 0.000 . 1 . . . . . 142 TYR HB2 . 51811 1 694 . 1 . 1 98 98 TYR C C 13 176.549 0.000 . 1 . . . . . 142 TYR C . 51811 1 695 . 1 . 1 98 98 TYR CA C 13 60.087 0.001 . 1 . . . . . 142 TYR CA . 51811 1 696 . 1 . 1 98 98 TYR CB C 13 39.248 0.012 . 1 . . . . . 142 TYR CB . 51811 1 697 . 1 . 1 98 98 TYR N N 15 118.239 0.033 . 1 . . . . . 142 TYR N . 51811 1 698 . 1 . 1 99 99 VAL H H 1 7.885 0.004 . 1 . . . . . 143 VAL H . 51811 1 699 . 1 . 1 99 99 VAL HA H 1 3.251 0.000 . 1 . . . . . 143 VAL HA . 51811 1 700 . 1 . 1 99 99 VAL HB H 1 2.18 0.000 . 1 . . . . . 143 VAL HB . 51811 1 701 . 1 . 1 99 99 VAL C C 13 178.261 0.000 . 1 . . . . . 143 VAL C . 51811 1 702 . 1 . 1 99 99 VAL CA C 13 67.366 0.014 . 1 . . . . . 143 VAL CA . 51811 1 703 . 1 . 1 99 99 VAL CB C 13 31.684 0.012 . 1 . . . . . 143 VAL CB . 51811 1 704 . 1 . 1 99 99 VAL N N 15 120.597 0.043 . 1 . . . . . 143 VAL N . 51811 1 705 . 1 . 1 100 100 ARG H H 1 8.671 0.004 . 1 . . . . . 144 ARG H . 51811 1 706 . 1 . 1 100 100 ARG HA H 1 3.832 0.000 . 1 . . . . . 144 ARG HA . 51811 1 707 . 1 . 1 100 100 ARG HB2 H 1 1.758 0.000 . 1 . . . . . 144 ARG HB2 . 51811 1 708 . 1 . 1 100 100 ARG C C 13 178.674 0.000 . 1 . . . . . 144 ARG C . 51811 1 709 . 1 . 1 100 100 ARG CA C 13 59.919 0.060 . 1 . . . . . 144 ARG CA . 51811 1 710 . 1 . 1 100 100 ARG CB C 13 29.872 0.025 . 1 . . . . . 144 ARG CB . 51811 1 711 . 1 . 1 100 100 ARG N N 15 117.883 0.028 . 1 . . . . . 144 ARG N . 51811 1 712 . 1 . 1 101 101 HIS H H 1 7.322 0.004 . 1 . . . . . 145 HIS H . 51811 1 713 . 1 . 1 101 101 HIS HA H 1 4.312 0.000 . 1 . . . . . 145 HIS HA . 51811 1 714 . 1 . 1 101 101 HIS HB2 H 1 2.901 0.000 . 1 . . . . . 145 HIS HB2 . 51811 1 715 . 1 . 1 101 101 HIS C C 13 178.44 0.000 . 1 . . . . . 145 HIS C . 51811 1 716 . 1 . 1 101 101 HIS CA C 13 59.03 0.035 . 1 . . . . . 145 HIS CA . 51811 1 717 . 1 . 1 101 101 HIS CB C 13 28.731 0.052 . 1 . . . . . 145 HIS CB . 51811 1 718 . 1 . 1 101 101 HIS N N 15 118.645 0.036 . 1 . . . . . 145 HIS N . 51811 1 719 . 1 . 1 102 102 LEU H H 1 8.345 0.004 . 1 . . . . . 146 LEU H . 51811 1 720 . 1 . 1 102 102 LEU HA H 1 3.569 0.000 . 1 . . . . . 146 LEU HA . 51811 1 721 . 1 . 1 102 102 LEU HB2 H 1 1.441 0.000 . 1 . . . . . 146 LEU HB2 . 51811 1 722 . 1 . 1 102 102 LEU C C 13 179.167 0.000 . 1 . . . . . 146 LEU C . 51811 1 723 . 1 . 1 102 102 LEU CA C 13 57.491 0.065 . 1 . . . . . 146 LEU CA . 51811 1 724 . 1 . 1 102 102 LEU CB C 13 42.045 0.002 . 1 . . . . . 146 LEU CB . 51811 1 725 . 1 . 1 102 102 LEU N N 15 122.394 0.038 . 1 . . . . . 146 LEU N . 51811 1 726 . 1 . 1 103 103 LYS H H 1 7.676 0.008 . 1 . . . . . 147 LYS H . 51811 1 727 . 1 . 1 103 103 LYS HA H 1 4.114 0.000 . 1 . . . . . 147 LYS HA . 51811 1 728 . 1 . 1 103 103 LYS HB2 H 1 1.82 0.000 . 1 . . . . . 147 LYS HB2 . 51811 1 729 . 1 . 1 103 103 LYS C C 13 176.825 0.000 . 1 . . . . . 147 LYS C . 51811 1 730 . 1 . 1 103 103 LYS CA C 13 56.949 0.079 . 1 . . . . . 147 LYS CA . 51811 1 731 . 1 . 1 103 103 LYS CB C 13 33.107 0.027 . 1 . . . . . 147 LYS CB . 51811 1 732 . 1 . 1 103 103 LYS N N 15 115.891 0.018 . 1 . . . . . 147 LYS N . 51811 1 733 . 1 . 1 104 104 GLY H H 1 7.641 0.006 . 1 . . . . . 148 GLY H . 51811 1 734 . 1 . 1 104 104 GLY HA2 H 1 3.861 0.000 . 1 . . . . . 148 GLY HA2 . 51811 1 735 . 1 . 1 104 104 GLY C C 13 175.141 0.000 . 1 . . . . . 148 GLY C . 51811 1 736 . 1 . 1 104 104 GLY CA C 13 46.244 0.002 . 1 . . . . . 148 GLY CA . 51811 1 737 . 1 . 1 104 104 GLY N N 15 108.362 0.038 . 1 . . . . . 148 GLY N . 51811 1 738 . 1 . 1 105 105 GLU H H 1 8.149 0.005 . 1 . . . . . 149 GLU H . 51811 1 739 . 1 . 1 105 105 GLU HA H 1 4.323 0.000 . 1 . . . . . 149 GLU HA . 51811 1 740 . 1 . 1 105 105 GLU HB2 H 1 1.948 0.000 . 1 . . . . . 149 GLU HB2 . 51811 1 741 . 1 . 1 105 105 GLU C C 13 175.965 0.000 . 1 . . . . . 149 GLU C . 51811 1 742 . 1 . 1 105 105 GLU CA C 13 55.913 0.012 . 1 . . . . . 149 GLU CA . 51811 1 743 . 1 . 1 105 105 GLU CB C 13 30.624 0.008 . 1 . . . . . 149 GLU CB . 51811 1 744 . 1 . 1 105 105 GLU N N 15 119.297 0.022 . 1 . . . . . 149 GLU N . 51811 1 745 . 1 . 1 106 106 ASP H H 1 8.274 0.005 . 1 . . . . . 150 ASP H . 51811 1 746 . 1 . 1 106 106 ASP HA H 1 4.442 0.000 . 1 . . . . . 150 ASP HA . 51811 1 747 . 1 . 1 106 106 ASP HB2 H 1 2.627 0.000 . 1 . . . . . 150 ASP HB2 . 51811 1 748 . 1 . 1 106 106 ASP C C 13 175.804 0.000 . 1 . . . . . 150 ASP C . 51811 1 749 . 1 . 1 106 106 ASP CA C 13 54.611 0.066 . 1 . . . . . 150 ASP CA . 51811 1 750 . 1 . 1 106 106 ASP CB C 13 41.325 0.037 . 1 . . . . . 150 ASP CB . 51811 1 751 . 1 . 1 106 106 ASP N N 15 119.727 0.040 . 1 . . . . . 150 ASP N . 51811 1 752 . 1 . 1 107 107 ASP H H 1 8.258 0.006 . 1 . . . . . 151 ASP H . 51811 1 753 . 1 . 1 107 107 ASP HA H 1 4.529 0.000 . 1 . . . . . 151 ASP HA . 51811 1 754 . 1 . 1 107 107 ASP HB2 H 1 2.624 0.000 . 1 . . . . . 151 ASP HB2 . 51811 1 755 . 1 . 1 107 107 ASP C C 13 175.261 0.000 . 1 . . . . . 151 ASP C . 51811 1 756 . 1 . 1 107 107 ASP CA C 13 54.413 0.026 . 1 . . . . . 151 ASP CA . 51811 1 757 . 1 . 1 107 107 ASP CB C 13 41.086 0.026 . 1 . . . . . 151 ASP CB . 51811 1 758 . 1 . 1 107 107 ASP N N 15 120.328 0.024 . 1 . . . . . 151 ASP N . 51811 1 759 . 1 . 1 108 108 LYS H H 1 7.669 0.005 . 1 . . . . . 152 LYS H . 51811 1 760 . 1 . 1 108 108 LYS HA H 1 4.071 0.000 . 1 . . . . . 152 LYS HA . 51811 1 761 . 1 . 1 108 108 LYS HB2 H 1 1.725 0.000 . 1 . . . . . 152 LYS HB2 . 51811 1 762 . 1 . 1 108 108 LYS C C 13 181.313 0.000 . 1 . . . . . 152 LYS C . 51811 1 763 . 1 . 1 108 108 LYS CA C 13 57.67 0.000 . 1 . . . . . 152 LYS CA . 51811 1 764 . 1 . 1 108 108 LYS CB C 13 33.791 0.000 . 1 . . . . . 152 LYS CB . 51811 1 765 . 1 . 1 108 108 LYS N N 15 126.004 0.028 . 1 . . . . . 152 LYS N . 51811 1 stop_ save_