data_15766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15766 _Entry.Title ; human calpastatin Domain 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-09 _Entry.Accession_date 2008-05-09 _Entry.Last_release_date 2008-06-30 _Entry.Original_release_date 2008-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR assignment and relaxation parameters of hCSD1 an intrinsically unstructured protein' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robert Kiss . . . 15766 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Chemistry, Laboratory of Structural Chemistry and Biology, Eotvos Lorand University, Budapest, Hungary' . 15766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15766 heteronucl_T1_relaxation 1 15766 heteronucl_T2_relaxation 1 15766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 15766 '15N chemical shifts' 122 15766 '1H chemical shifts' 249 15766 'T1 relaxation values' 90 15766 'T2 relaxation values' 90 15766 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-30 2008-05-09 original author . 15766 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18537264 _Citation.Full_citation . _Citation.Title 'Local Structural Preferences of Calpastatin, the Intrinsically Unstructured Protein Inhibitor of Calpain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 26 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6936 _Citation.Page_last 6945 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Kiss . . . 15766 1 2 D. Kovacs . . . 15766 1 3 P. Tompa . . . 15766 1 4 Andras Perczel . . . 15766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15766 _Assembly.ID 1 _Assembly.Name hCSD1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 hCSD1 1 $hCSD1 A . yes native no no . . . 15766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hCSD1 _Entity.Sf_category entity _Entity.Sf_framecode hCSD1 _Entity.Entry_ID 15766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hCSD1 _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 ; AVPVESKPDKPSGKSGMDAA LDDLIDTLGGPEETEEENTT YTGPEVSDPMSSTYIEELGK REVTIPPKYRELLAKKEGIT GPPADSSKPIGPDDAIDALS SDFTCGSPTAAGKKTEKEES TEVLKAQSAGTVRSAAPPQE K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Human calpastatin domain 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The molecule is an intrinsically unstructured protein.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAH14064 . "unnamed protein product [Homo sapiens]" . . . . . 88.65 346 100.00 100.00 7.60e-78 . . . . 15766 1 2 no GB AAA52753 . "calpastatin, partial [Chlorocebus aethiops]" . . . . . 100.00 283 97.87 98.58 3.63e-90 . . . . 15766 1 3 no GB AAA52759 . "calpastatin [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 1.67e-91 . . . . 15766 1 4 no GB AAB59398 . "calpastatin, partial [Homo sapiens]" . . . . . 100.00 283 100.00 100.00 8.16e-92 . . . . 15766 1 5 no SP P49342 . "RecName: Full=Calpastatin; AltName: Full=Calpain inhibitor" . . . . . 100.00 283 97.87 98.58 3.63e-90 . . . . 15766 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'specific inhibitor of Calpain' 15766 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 . ALA . 15766 1 2 . VAL . 15766 1 3 . PRO . 15766 1 4 . VAL . 15766 1 5 . GLU . 15766 1 6 . SER . 15766 1 7 . LYS . 15766 1 8 . PRO . 15766 1 9 . ASP . 15766 1 10 . LYS . 15766 1 11 . PRO . 15766 1 12 . SER . 15766 1 13 . GLY . 15766 1 14 . LYS . 15766 1 15 . SER . 15766 1 16 . GLY . 15766 1 17 . MET . 15766 1 18 . ASP . 15766 1 19 . ALA . 15766 1 20 . ALA . 15766 1 21 . LEU . 15766 1 22 . ASP . 15766 1 23 . ASP . 15766 1 24 . LEU . 15766 1 25 . ILE . 15766 1 26 . ASP . 15766 1 27 . THR . 15766 1 28 . LEU . 15766 1 29 . GLY . 15766 1 30 . GLY . 15766 1 31 . PRO . 15766 1 32 . GLU . 15766 1 33 . GLU . 15766 1 34 . THR . 15766 1 35 . GLU . 15766 1 36 . GLU . 15766 1 37 . GLU . 15766 1 38 . ASN . 15766 1 39 . THR . 15766 1 40 . THR . 15766 1 41 . TYR . 15766 1 42 . THR . 15766 1 43 . GLY . 15766 1 44 . PRO . 15766 1 45 . GLU . 15766 1 46 . VAL . 15766 1 47 . SER . 15766 1 48 . ASP . 15766 1 49 . PRO . 15766 1 50 . MET . 15766 1 51 . SER . 15766 1 52 . SER . 15766 1 53 . THR . 15766 1 54 . TYR . 15766 1 55 . ILE . 15766 1 56 . GLU . 15766 1 57 . GLU . 15766 1 58 . LEU . 15766 1 59 . GLY . 15766 1 60 . LYS . 15766 1 61 . ARG . 15766 1 62 . GLU . 15766 1 63 . VAL . 15766 1 64 . THR . 15766 1 65 . ILE . 15766 1 66 . PRO . 15766 1 67 . PRO . 15766 1 68 . LYS . 15766 1 69 . TYR . 15766 1 70 . ARG . 15766 1 71 . GLU . 15766 1 72 . LEU . 15766 1 73 . LEU . 15766 1 74 . ALA . 15766 1 75 . LYS . 15766 1 76 . LYS . 15766 1 77 . GLU . 15766 1 78 . GLY . 15766 1 79 . ILE . 15766 1 80 . THR . 15766 1 81 . GLY . 15766 1 82 . PRO . 15766 1 83 . PRO . 15766 1 84 . ALA . 15766 1 85 . ASP . 15766 1 86 . SER . 15766 1 87 . SER . 15766 1 88 . LYS . 15766 1 89 . PRO . 15766 1 90 . ILE . 15766 1 91 . GLY . 15766 1 92 . PRO . 15766 1 93 . ASP . 15766 1 94 . ASP . 15766 1 95 . ALA . 15766 1 96 . ILE . 15766 1 97 . ASP . 15766 1 98 . ALA . 15766 1 99 . LEU . 15766 1 100 . SER . 15766 1 101 . SER . 15766 1 102 . ASP . 15766 1 103 . PHE . 15766 1 104 . THR . 15766 1 105 . CYS . 15766 1 106 . GLY . 15766 1 107 . SER . 15766 1 108 . PRO . 15766 1 109 . THR . 15766 1 110 . ALA . 15766 1 111 . ALA . 15766 1 112 . GLY . 15766 1 113 . LYS . 15766 1 114 . LYS . 15766 1 115 . THR . 15766 1 116 . GLU . 15766 1 117 . LYS . 15766 1 118 . GLU . 15766 1 119 . GLU . 15766 1 120 . SER . 15766 1 121 . THR . 15766 1 122 . GLU . 15766 1 123 . VAL . 15766 1 124 . LEU . 15766 1 125 . LYS . 15766 1 126 . ALA . 15766 1 127 . GLN . 15766 1 128 . SER . 15766 1 129 . ALA . 15766 1 130 . GLY . 15766 1 131 . THR . 15766 1 132 . VAL . 15766 1 133 . ARG . 15766 1 134 . SER . 15766 1 135 . ALA . 15766 1 136 . ALA . 15766 1 137 . PRO . 15766 1 138 . PRO . 15766 1 139 . GLN . 15766 1 140 . GLU . 15766 1 141 . LYS . 15766 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 . ALA 1 1 15766 1 . VAL 2 2 15766 1 . PRO 3 3 15766 1 . VAL 4 4 15766 1 . GLU 5 5 15766 1 . SER 6 6 15766 1 . LYS 7 7 15766 1 . PRO 8 8 15766 1 . ASP 9 9 15766 1 . LYS 10 10 15766 1 . PRO 11 11 15766 1 . SER 12 12 15766 1 . GLY 13 13 15766 1 . LYS 14 14 15766 1 . SER 15 15 15766 1 . GLY 16 16 15766 1 . MET 17 17 15766 1 . ASP 18 18 15766 1 . ALA 19 19 15766 1 . ALA 20 20 15766 1 . LEU 21 21 15766 1 . ASP 22 22 15766 1 . ASP 23 23 15766 1 . LEU 24 24 15766 1 . ILE 25 25 15766 1 . ASP 26 26 15766 1 . THR 27 27 15766 1 . LEU 28 28 15766 1 . GLY 29 29 15766 1 . GLY 30 30 15766 1 . PRO 31 31 15766 1 . GLU 32 32 15766 1 . GLU 33 33 15766 1 . THR 34 34 15766 1 . GLU 35 35 15766 1 . GLU 36 36 15766 1 . GLU 37 37 15766 1 . ASN 38 38 15766 1 . THR 39 39 15766 1 . THR 40 40 15766 1 . TYR 41 41 15766 1 . THR 42 42 15766 1 . GLY 43 43 15766 1 . PRO 44 44 15766 1 . GLU 45 45 15766 1 . VAL 46 46 15766 1 . SER 47 47 15766 1 . ASP 48 48 15766 1 . PRO 49 49 15766 1 . MET 50 50 15766 1 . SER 51 51 15766 1 . SER 52 52 15766 1 . THR 53 53 15766 1 . TYR 54 54 15766 1 . ILE 55 55 15766 1 . GLU 56 56 15766 1 . GLU 57 57 15766 1 . LEU 58 58 15766 1 . GLY 59 59 15766 1 . LYS 60 60 15766 1 . ARG 61 61 15766 1 . GLU 62 62 15766 1 . VAL 63 63 15766 1 . THR 64 64 15766 1 . ILE 65 65 15766 1 . PRO 66 66 15766 1 . PRO 67 67 15766 1 . LYS 68 68 15766 1 . TYR 69 69 15766 1 . ARG 70 70 15766 1 . GLU 71 71 15766 1 . LEU 72 72 15766 1 . LEU 73 73 15766 1 . ALA 74 74 15766 1 . LYS 75 75 15766 1 . LYS 76 76 15766 1 . GLU 77 77 15766 1 . GLY 78 78 15766 1 . ILE 79 79 15766 1 . THR 80 80 15766 1 . GLY 81 81 15766 1 . PRO 82 82 15766 1 . PRO 83 83 15766 1 . ALA 84 84 15766 1 . ASP 85 85 15766 1 . SER 86 86 15766 1 . SER 87 87 15766 1 . LYS 88 88 15766 1 . PRO 89 89 15766 1 . ILE 90 90 15766 1 . GLY 91 91 15766 1 . PRO 92 92 15766 1 . ASP 93 93 15766 1 . ASP 94 94 15766 1 . ALA 95 95 15766 1 . ILE 96 96 15766 1 . ASP 97 97 15766 1 . ALA 98 98 15766 1 . LEU 99 99 15766 1 . SER 100 100 15766 1 . SER 101 101 15766 1 . ASP 102 102 15766 1 . PHE 103 103 15766 1 . THR 104 104 15766 1 . CYS 105 105 15766 1 . GLY 106 106 15766 1 . SER 107 107 15766 1 . PRO 108 108 15766 1 . THR 109 109 15766 1 . ALA 110 110 15766 1 . ALA 111 111 15766 1 . GLY 112 112 15766 1 . LYS 113 113 15766 1 . LYS 114 114 15766 1 . THR 115 115 15766 1 . GLU 116 116 15766 1 . LYS 117 117 15766 1 . GLU 118 118 15766 1 . GLU 119 119 15766 1 . SER 120 120 15766 1 . THR 121 121 15766 1 . GLU 122 122 15766 1 . VAL 123 123 15766 1 . LEU 124 124 15766 1 . LYS 125 125 15766 1 . ALA 126 126 15766 1 . GLN 127 127 15766 1 . SER 128 128 15766 1 . ALA 129 129 15766 1 . GLY 130 130 15766 1 . THR 131 131 15766 1 . VAL 132 132 15766 1 . ARG 133 133 15766 1 . SER 134 134 15766 1 . ALA 135 135 15766 1 . ALA 136 136 15766 1 . PRO 137 137 15766 1 . PRO 138 138 15766 1 . GLN 139 139 15766 1 . GLU 140 140 15766 1 . LYS 141 141 15766 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15766 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hCSD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15766 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15766 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hCSD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pEThCSD1 . . . . . . 15766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15766 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hCSD1 '[U-99% 13C; U-99% 15N]' . . 1 $hCSD1 . . 1 . . mM . . . . 15766 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15766 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . M 15766 1 pH 6.07 . pH 15766 1 pressure 1 . atm 15766 1 temperature 298 . K 15766 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15766 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15766 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15766 1 'peak picking' 15766 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15766 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 15766 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15766 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15766 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15766 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15766 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15766 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15766 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 15766 1 4 '3D HNCACB' . . . 15766 1 7 '3D 1H-15N TOCSY' . . . 15766 1 9 '3D HNCO' . . . 15766 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15766 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 176.7 0.1 . 1 . . . . 1 ALA C . 15766 1 2 . 1 1 1 1 ALA CA C 13 51.7 0.1 . 1 . . . . 1 ALA CA . 15766 1 3 . 1 1 2 2 VAL H H 1 8.42 0.01 . 1 . . . . 2 VAL H . 15766 1 4 . 1 1 2 2 VAL CA C 13 60.1 0.1 . 1 . . . . 2 VAL CA . 15766 1 5 . 1 1 2 2 VAL N N 15 120.3 0.1 . 1 . . . . 2 VAL N . 15766 1 6 . 1 1 3 3 PRO C C 13 176.8 0.1 . 1 . . . . 3 PRO C . 15766 1 7 . 1 1 3 3 PRO CA C 13 62.7 0.1 . 1 . . . . 3 PRO CA . 15766 1 8 . 1 1 4 4 VAL H H 1 8.24 0.01 . 1 . . . . 4 VAL H . 15766 1 9 . 1 1 4 4 VAL HA H 1 4.07 0.01 . 1 . . . . 4 VAL HA . 15766 1 10 . 1 1 4 4 VAL C C 13 176.3 0.1 . 1 . . . . 4 VAL C . 15766 1 11 . 1 1 4 4 VAL CA C 13 62.7 0.1 . 1 . . . . 4 VAL CA . 15766 1 12 . 1 1 4 4 VAL N N 15 120.6 0.1 . 1 . . . . 4 VAL N . 15766 1 13 . 1 1 5 5 GLU H H 1 8.51 0.01 . 1 . . . . 5 GLU H . 15766 1 14 . 1 1 5 5 GLU HA H 1 4.33 0.01 . 1 . . . . 5 GLU HA . 15766 1 15 . 1 1 5 5 GLU C C 13 176.2 0.1 . 1 . . . . 5 GLU C . 15766 1 16 . 1 1 5 5 GLU CA C 13 56.4 0.1 . 1 . . . . 5 GLU CA . 15766 1 17 . 1 1 5 5 GLU N N 15 124.6 0.1 . 1 . . . . 5 GLU N . 15766 1 18 . 1 1 6 6 SER H H 1 8.36 0.01 . 1 . . . . 6 SER H . 15766 1 19 . 1 1 6 6 SER HA H 1 4.44 0.01 . 1 . . . . 6 SER HA . 15766 1 20 . 1 1 6 6 SER C C 13 174.0 0.1 . 1 . . . . 6 SER C . 15766 1 21 . 1 1 6 6 SER CA C 13 58.1 0.1 . 1 . . . . 6 SER CA . 15766 1 22 . 1 1 6 6 SER N N 15 117.7 0.1 . 1 . . . . 6 SER N . 15766 1 23 . 1 1 7 7 LYS H H 1 8.38 0.01 . 1 . . . . 7 LYS H . 15766 1 24 . 1 1 7 7 LYS HA H 1 4.66 0.01 . 1 . . . . 7 LYS HA . 15766 1 25 . 1 1 7 7 LYS CA C 13 54.1 0.1 . 1 . . . . 7 LYS CA . 15766 1 26 . 1 1 7 7 LYS N N 15 124.3 0.1 . 1 . . . . 7 LYS N . 15766 1 27 . 1 1 8 8 PRO C C 13 176.9 0.1 . 1 . . . . 8 PRO C . 15766 1 28 . 1 1 8 8 PRO CA C 13 63.1 0.1 . 1 . . . . 8 PRO CA . 15766 1 29 . 1 1 9 9 ASP H H 1 8.43 0.01 . 1 . . . . 9 ASP H . 15766 1 30 . 1 1 9 9 ASP HA H 1 4.54 0.01 . 1 . . . . 9 ASP HA . 15766 1 31 . 1 1 9 9 ASP C C 13 175.8 0.1 . 1 . . . . 9 ASP C . 15766 1 32 . 1 1 9 9 ASP CA C 13 54.3 0.1 . 1 . . . . 9 ASP CA . 15766 1 33 . 1 1 9 9 ASP N N 15 120.3 0.1 . 1 . . . . 9 ASP N . 15766 1 34 . 1 1 10 10 LYS H H 1 8.12 0.01 . 1 . . . . 10 LYS H . 15766 1 35 . 1 1 10 10 LYS HA H 1 4.63 0.01 . 1 . . . . 10 LYS HA . 15766 1 36 . 1 1 10 10 LYS CA C 13 53.9 0.1 . 1 . . . . 10 LYS CA . 15766 1 37 . 1 1 10 10 LYS N N 15 121.6 0.1 . 1 . . . . 10 LYS N . 15766 1 38 . 1 1 11 11 PRO C C 13 177.1 0.1 . 1 . . . . 11 PRO C . 15766 1 39 . 1 1 11 11 PRO CA C 13 63.3 0.1 . 1 . . . . 11 PRO CA . 15766 1 40 . 1 1 12 12 SER H H 1 8.47 0.01 . 1 . . . . 12 SER H . 15766 1 41 . 1 1 12 12 SER HA H 1 4.45 0.01 . 1 . . . . 12 SER HA . 15766 1 42 . 1 1 12 12 SER C C 13 175.2 0.1 . 1 . . . . 12 SER C . 15766 1 43 . 1 1 12 12 SER CA C 13 58.5 0.1 . 1 . . . . 12 SER CA . 15766 1 44 . 1 1 12 12 SER N N 15 116.1 0.1 . 1 . . . . 12 SER N . 15766 1 45 . 1 1 13 13 GLY H H 1 8.42 0.01 . 1 . . . . 13 GLY H . 15766 1 46 . 1 1 13 13 GLY HA2 H 1 3.98 0.01 . 2 . . . . 13 GLY HA2 . 15766 1 47 . 1 1 13 13 GLY HA3 H 1 3.98 0.01 . 2 . . . . 13 GLY HA3 . 15766 1 48 . 1 1 13 13 GLY C C 13 174.1 0.1 . 1 . . . . 13 GLY C . 15766 1 49 . 1 1 13 13 GLY CA C 13 45.4 0.1 . 1 . . . . 13 GLY CA . 15766 1 50 . 1 1 13 13 GLY N N 15 110.5 0.1 . 1 . . . . 13 GLY N . 15766 1 51 . 1 1 14 14 LYS H H 1 8.24 0.01 . 1 . . . . 14 LYS H . 15766 1 52 . 1 1 14 14 LYS HA H 1 4.39 0.01 . 1 . . . . 14 LYS HA . 15766 1 53 . 1 1 14 14 LYS C C 13 176.8 0.1 . 1 . . . . 14 LYS C . 15766 1 54 . 1 1 14 14 LYS CA C 13 56.3 0.1 . 1 . . . . 14 LYS CA . 15766 1 55 . 1 1 14 14 LYS N N 15 120.6 0.1 . 1 . . . . 14 LYS N . 15766 1 56 . 1 1 15 15 SER H H 1 8.46 0.01 . 1 . . . . 15 SER H . 15766 1 57 . 1 1 15 15 SER HA H 1 4.49 0.01 . 1 . . . . 15 SER HA . 15766 1 58 . 1 1 15 15 SER C C 13 175.1 0.1 . 1 . . . . 15 SER C . 15766 1 59 . 1 1 15 15 SER CA C 13 58.6 0.1 . 1 . . . . 15 SER CA . 15766 1 60 . 1 1 15 15 SER N N 15 116.9 0.1 . 1 . . . . 15 SER N . 15766 1 61 . 1 1 16 16 GLY H H 1 8.49 0.01 . 1 . . . . 16 GLY H . 15766 1 62 . 1 1 16 16 GLY HA2 H 1 3.99 0.01 . 2 . . . . 16 GLY HA2 . 15766 1 63 . 1 1 16 16 GLY HA3 H 1 3.99 0.01 . 2 . . . . 16 GLY HA3 . 15766 1 64 . 1 1 16 16 GLY C C 13 174.4 0.1 . 1 . . . . 16 GLY C . 15766 1 65 . 1 1 16 16 GLY CA C 13 45.5 0.1 . 1 . . . . 16 GLY CA . 15766 1 66 . 1 1 16 16 GLY N N 15 110.5 0.1 . 1 . . . . 16 GLY N . 15766 1 67 . 1 1 17 17 MET H H 1 8.21 0.01 . 1 . . . . 17 MET H . 15766 1 68 . 1 1 17 17 MET HA H 1 4.49 0.01 . 1 . . . . 17 MET HA . 15766 1 69 . 1 1 17 17 MET C C 13 176.1 0.1 . 1 . . . . 17 MET C . 15766 1 70 . 1 1 17 17 MET CA C 13 55.8 0.1 . 1 . . . . 17 MET CA . 15766 1 71 . 1 1 17 17 MET N N 15 119.5 0.1 . 1 . . . . 17 MET N . 15766 1 72 . 1 1 18 18 ASP H H 1 8.33 0.01 . 1 . . . . 18 ASP H . 15766 1 73 . 1 1 18 18 ASP HA H 1 4.56 0.01 . 1 . . . . 18 ASP HA . 15766 1 74 . 1 1 18 18 ASP C C 13 176.1 0.1 . 1 . . . . 18 ASP C . 15766 1 75 . 1 1 18 18 ASP CA C 13 54.5 0.1 . 1 . . . . 18 ASP CA . 15766 1 76 . 1 1 18 18 ASP N N 15 120.9 0.1 . 1 . . . . 18 ASP N . 15766 1 77 . 1 1 19 19 ALA H H 1 8.14 0.01 . 1 . . . . 19 ALA H . 15766 1 78 . 1 1 19 19 ALA HA H 1 4.28 0.01 . 1 . . . . 19 ALA HA . 15766 1 79 . 1 1 19 19 ALA C C 13 177.4 0.1 . 1 . . . . 19 ALA C . 15766 1 80 . 1 1 19 19 ALA CA C 13 52.7 0.1 . 1 . . . . 19 ALA CA . 15766 1 81 . 1 1 19 19 ALA N N 15 124.3 0.1 . 1 . . . . 19 ALA N . 15766 1 82 . 1 1 20 20 ALA H H 1 8.24 0.01 . 1 . . . . 20 ALA H . 15766 1 83 . 1 1 20 20 ALA HA H 1 4.29 0.01 . 1 . . . . 20 ALA HA . 15766 1 84 . 1 1 20 20 ALA C C 13 178.0 0.1 . 1 . . . . 20 ALA C . 15766 1 85 . 1 1 20 20 ALA CA C 13 52.7 0.1 . 1 . . . . 20 ALA CA . 15766 1 86 . 1 1 20 20 ALA N N 15 122.3 0.1 . 1 . . . . 20 ALA N . 15766 1 87 . 1 1 21 21 LEU H H 1 8.09 0.01 . 1 . . . . 21 LEU H . 15766 1 88 . 1 1 21 21 LEU HA H 1 4.31 0.01 . 1 . . . . 21 LEU HA . 15766 1 89 . 1 1 21 21 LEU C C 13 177.4 0.1 . 1 . . . . 21 LEU C . 15766 1 90 . 1 1 21 21 LEU CA C 13 55.4 0.1 . 1 . . . . 21 LEU CA . 15766 1 91 . 1 1 21 21 LEU N N 15 120.6 0.1 . 1 . . . . 21 LEU N . 15766 1 92 . 1 1 22 22 ASP H H 1 8.15 0.01 . 1 . . . . 22 ASP H . 15766 1 93 . 1 1 22 22 ASP HA H 1 4.56 0.01 . 1 . . . . 22 ASP HA . 15766 1 94 . 1 1 22 22 ASP C C 13 176.0 0.1 . 1 . . . . 22 ASP C . 15766 1 95 . 1 1 22 22 ASP CA C 13 55.0 0.1 . 1 . . . . 22 ASP CA . 15766 1 96 . 1 1 22 22 ASP N N 15 119.8 0.1 . 1 . . . . 22 ASP N . 15766 1 97 . 1 1 23 23 ASP H H 1 8.14 0.01 . 1 . . . . 23 ASP H . 15766 1 98 . 1 1 23 23 ASP HA H 1 4.56 0.01 . 1 . . . . 23 ASP HA . 15766 1 99 . 1 1 23 23 ASP CA C 13 54.7 0.1 . 1 . . . . 23 ASP CA . 15766 1 100 . 1 1 23 23 ASP N N 15 119.8 0.1 . 1 . . . . 23 ASP N . 15766 1 101 . 1 1 24 24 LEU H H 1 8.06 0.01 . 1 . . . . 24 LEU H . 15766 1 102 . 1 1 24 24 LEU HA H 1 4.34 0.01 . 1 . . . . 24 LEU HA . 15766 1 103 . 1 1 24 24 LEU C C 13 177.1 0.1 . 1 . . . . 24 LEU C . 15766 1 104 . 1 1 24 24 LEU CA C 13 55.3 0.1 . 1 . . . . 24 LEU CA . 15766 1 105 . 1 1 24 24 LEU N N 15 121.4 0.1 . 1 . . . . 24 LEU N . 15766 1 106 . 1 1 25 25 ILE H H 1 8.02 0.01 . 1 . . . . 25 ILE H . 15766 1 107 . 1 1 25 25 ILE HA H 1 4.14 0.01 . 1 . . . . 25 ILE HA . 15766 1 108 . 1 1 25 25 ILE C C 13 176.1 0.1 . 1 . . . . 25 ILE C . 15766 1 109 . 1 1 25 25 ILE CA C 13 61.5 0.1 . 1 . . . . 25 ILE CA . 15766 1 110 . 1 1 25 25 ILE N N 15 121.1 0.1 . 1 . . . . 25 ILE N . 15766 1 111 . 1 1 26 26 ASP H H 1 8.37 0.01 . 1 . . . . 26 ASP H . 15766 1 112 . 1 1 26 26 ASP HA H 1 4.67 0.01 . 1 . . . . 26 ASP HA . 15766 1 113 . 1 1 26 26 ASP C C 13 176.5 0.1 . 1 . . . . 26 ASP C . 15766 1 114 . 1 1 26 26 ASP CA C 13 54.5 0.1 . 1 . . . . 26 ASP CA . 15766 1 115 . 1 1 26 26 ASP N N 15 123.7 0.1 . 1 . . . . 26 ASP N . 15766 1 116 . 1 1 27 27 THR H H 1 8.07 0.01 . 1 . . . . 27 THR H . 15766 1 117 . 1 1 27 27 THR HA H 1 4.31 0.01 . 1 . . . . 27 THR HA . 15766 1 118 . 1 1 27 27 THR C C 13 174.8 0.1 . 1 . . . . 27 THR C . 15766 1 119 . 1 1 27 27 THR CA C 13 62.0 0.1 . 1 . . . . 27 THR CA . 15766 1 120 . 1 1 27 27 THR N N 15 114.1 0.1 . 1 . . . . 27 THR N . 15766 1 121 . 1 1 28 28 LEU H H 1 8.24 0.01 . 1 . . . . 28 LEU H . 15766 1 122 . 1 1 28 28 LEU HA H 1 4.38 0.01 . 1 . . . . 28 LEU HA . 15766 1 123 . 1 1 28 28 LEU C C 13 177.9 0.1 . 1 . . . . 28 LEU C . 15766 1 124 . 1 1 28 28 LEU CA C 13 55.5 0.1 . 1 . . . . 28 LEU CA . 15766 1 125 . 1 1 28 28 LEU N N 15 123.9 0.1 . 1 . . . . 28 LEU N . 15766 1 126 . 1 1 29 29 GLY H H 1 8.35 0.01 . 1 . . . . 29 GLY H . 15766 1 127 . 1 1 29 29 GLY HA2 H 1 3.97 0.01 . 2 . . . . 29 GLY HA2 . 15766 1 128 . 1 1 29 29 GLY HA3 H 1 3.97 0.01 . 2 . . . . 29 GLY HA3 . 15766 1 129 . 1 1 29 29 GLY C C 13 174.3 0.1 . 1 . . . . 29 GLY C . 15766 1 130 . 1 1 29 29 GLY CA C 13 45.3 0.1 . 1 . . . . 29 GLY CA . 15766 1 131 . 1 1 29 29 GLY N N 15 109.3 0.1 . 1 . . . . 29 GLY N . 15766 1 132 . 1 1 30 30 GLY H H 1 8.14 0.01 . 1 . . . . 30 GLY H . 15766 1 133 . 1 1 30 30 GLY HA2 H 1 4.12 0.01 . 2 . . . . 30 GLY HA2 . 15766 1 134 . 1 1 30 30 GLY HA3 H 1 4.12 0.01 . 2 . . . . 30 GLY HA3 . 15766 1 135 . 1 1 30 30 GLY CA C 13 44.5 0.1 . 1 . . . . 30 GLY CA . 15766 1 136 . 1 1 30 30 GLY N N 15 108.7 0.1 . 1 . . . . 30 GLY N . 15766 1 137 . 1 1 31 31 PRO C C 13 177.2 0.1 . 1 . . . . 31 PRO C . 15766 1 138 . 1 1 31 31 PRO CA C 13 63.3 0.1 . 1 . . . . 31 PRO CA . 15766 1 139 . 1 1 32 32 GLU H H 1 8.60 0.01 . 1 . . . . 32 GLU H . 15766 1 140 . 1 1 32 32 GLU HA H 1 4.27 0.01 . 1 . . . . 32 GLU HA . 15766 1 141 . 1 1 32 32 GLU C C 13 176.5 0.1 . 1 . . . . 32 GLU C . 15766 1 142 . 1 1 32 32 GLU CA C 13 56.7 0.1 . 1 . . . . 32 GLU CA . 15766 1 143 . 1 1 32 32 GLU N N 15 120.8 0.1 . 1 . . . . 32 GLU N . 15766 1 144 . 1 1 33 33 GLU H H 1 8.49 0.01 . 1 . . . . 33 GLU H . 15766 1 145 . 1 1 33 33 GLU HA H 1 4.30 0.01 . 1 . . . . 33 GLU HA . 15766 1 146 . 1 1 33 33 GLU C C 13 176.5 0.1 . 1 . . . . 33 GLU C . 15766 1 147 . 1 1 33 33 GLU CA C 13 56.5 0.1 . 1 . . . . 33 GLU CA . 15766 1 148 . 1 1 33 33 GLU N N 15 122.1 0.1 . 1 . . . . 33 GLU N . 15766 1 149 . 1 1 34 34 THR H H 1 8.21 0.01 . 1 . . . . 34 THR H . 15766 1 150 . 1 1 34 34 THR HA H 1 4.38 0.01 . 1 . . . . 34 THR HA . 15766 1 151 . 1 1 34 34 THR C C 13 174.5 0.1 . 1 . . . . 34 THR C . 15766 1 152 . 1 1 34 34 THR CA C 13 61.8 0.1 . 1 . . . . 34 THR CA . 15766 1 153 . 1 1 34 34 THR N N 15 115.2 0.1 . 1 . . . . 34 THR N . 15766 1 154 . 1 1 35 35 GLU H H 1 8.48 0.01 . 1 . . . . 35 GLU H . 15766 1 155 . 1 1 35 35 GLU HA H 1 4.33 0.01 . 1 . . . . 35 GLU HA . 15766 1 156 . 1 1 35 35 GLU C C 13 176.6 0.1 . 1 . . . . 35 GLU C . 15766 1 157 . 1 1 35 35 GLU CA C 13 56.7 0.1 . 1 . . . . 35 GLU CA . 15766 1 158 . 1 1 35 35 GLU N N 15 123.2 0.1 . 1 . . . . 35 GLU N . 15766 1 159 . 1 1 36 36 GLU H H 1 8.49 0.01 . 1 . . . . 36 GLU H . 15766 1 160 . 1 1 36 36 GLU HA H 1 4.29 0.01 . 1 . . . . 36 GLU HA . 15766 1 161 . 1 1 36 36 GLU C C 13 176.5 0.1 . 1 . . . . 36 GLU C . 15766 1 162 . 1 1 36 36 GLU CA C 13 56.8 0.1 . 1 . . . . 36 GLU CA . 15766 1 163 . 1 1 36 36 GLU N N 15 122.3 0.1 . 1 . . . . 36 GLU N . 15766 1 164 . 1 1 37 37 GLU H H 1 8.43 0.01 . 1 . . . . 37 GLU H . 15766 1 165 . 1 1 37 37 GLU HA H 1 4.28 0.01 . 1 . . . . 37 GLU HA . 15766 1 166 . 1 1 37 37 GLU C C 13 176.2 0.1 . 1 . . . . 37 GLU C . 15766 1 167 . 1 1 37 37 GLU CA C 13 56.6 0.1 . 1 . . . . 37 GLU CA . 15766 1 168 . 1 1 37 37 GLU N N 15 122.4 0.1 . 1 . . . . 37 GLU N . 15766 1 169 . 1 1 38 38 ASN H H 1 8.54 0.01 . 1 . . . . 38 ASN H . 15766 1 170 . 1 1 38 38 ASN HA H 1 4.77 0.01 . 1 . . . . 38 ASN HA . 15766 1 171 . 1 1 38 38 ASN C C 13 175.5 0.1 . 1 . . . . 38 ASN C . 15766 1 172 . 1 1 38 38 ASN CA C 13 53.4 0.1 . 1 . . . . 38 ASN CA . 15766 1 173 . 1 1 38 38 ASN N N 15 120.1 0.1 . 1 . . . . 38 ASN N . 15766 1 174 . 1 1 39 39 THR H H 1 8.22 0.01 . 1 . . . . 39 THR H . 15766 1 175 . 1 1 39 39 THR HA H 1 4.38 0.01 . 1 . . . . 39 THR HA . 15766 1 176 . 1 1 39 39 THR C C 13 174.7 0.1 . 1 . . . . 39 THR C . 15766 1 177 . 1 1 39 39 THR CA C 13 62.2 0.1 . 1 . . . . 39 THR CA . 15766 1 178 . 1 1 39 39 THR N N 15 114.8 0.1 . 1 . . . . 39 THR N . 15766 1 179 . 1 1 40 40 THR H H 1 8.17 0.01 . 1 . . . . 40 THR H . 15766 1 180 . 1 1 40 40 THR HA H 1 4.31 0.01 . 1 . . . . 40 THR HA . 15766 1 181 . 1 1 40 40 THR C C 13 174.0 0.1 . 1 . . . . 40 THR C . 15766 1 182 . 1 1 40 40 THR CA C 13 62.2 0.1 . 1 . . . . 40 THR CA . 15766 1 183 . 1 1 40 40 THR N N 15 116.8 0.1 . 1 . . . . 40 THR N . 15766 1 184 . 1 1 41 41 TYR H H 1 8.34 0.01 . 1 . . . . 41 TYR H . 15766 1 185 . 1 1 41 41 TYR HA H 1 4.61 0.01 . 1 . . . . 41 TYR HA . 15766 1 186 . 1 1 41 41 TYR C C 13 175.8 0.1 . 1 . . . . 41 TYR C . 15766 1 187 . 1 1 41 41 TYR CA C 13 58.2 0.1 . 1 . . . . 41 TYR CA . 15766 1 188 . 1 1 41 41 TYR N N 15 123.9 0.1 . 1 . . . . 41 TYR N . 15766 1 189 . 1 1 42 42 THR H H 1 8.09 0.01 . 1 . . . . 42 THR H . 15766 1 190 . 1 1 42 42 THR HA H 1 4.31 0.01 . 1 . . . . 42 THR HA . 15766 1 191 . 1 1 42 42 THR CA C 13 61.4 0.1 . 1 . . . . 42 THR CA . 15766 1 192 . 1 1 42 42 THR N N 15 117.4 0.1 . 1 . . . . 42 THR N . 15766 1 193 . 1 1 44 44 PRO C C 13 177.2 0.1 . 1 . . . . 44 PRO C . 15766 1 194 . 1 1 44 44 PRO CA C 13 63.2 0.1 . 1 . . . . 44 PRO CA . 15766 1 195 . 1 1 45 45 GLU H H 1 8.66 0.01 . 1 . . . . 45 GLU H . 15766 1 196 . 1 1 45 45 GLU HA H 1 4.29 0.01 . 1 . . . . 45 GLU HA . 15766 1 197 . 1 1 45 45 GLU C C 13 176.7 0.1 . 1 . . . . 45 GLU C . 15766 1 198 . 1 1 45 45 GLU CA C 13 56.9 0.1 . 1 . . . . 45 GLU CA . 15766 1 199 . 1 1 45 45 GLU N N 15 121.0 0.1 . 1 . . . . 45 GLU N . 15766 1 200 . 1 1 46 46 VAL H H 1 8.13 0.01 . 1 . . . . 46 VAL H . 15766 1 201 . 1 1 46 46 VAL HA H 1 4.16 0.01 . 1 . . . . 46 VAL HA . 15766 1 202 . 1 1 46 46 VAL C C 13 176.0 0.1 . 1 . . . . 46 VAL C . 15766 1 203 . 1 1 46 46 VAL CA C 13 62.3 0.1 . 1 . . . . 46 VAL CA . 15766 1 204 . 1 1 46 46 VAL N N 15 120.7 0.1 . 1 . . . . 46 VAL N . 15766 1 205 . 1 1 47 47 SER H H 1 8.29 0.01 . 1 . . . . 47 SER H . 15766 1 206 . 1 1 47 47 SER HA H 1 4.45 0.01 . 1 . . . . 47 SER HA . 15766 1 207 . 1 1 47 47 SER C C 13 173.7 0.1 . 1 . . . . 47 SER C . 15766 1 208 . 1 1 47 47 SER CA C 13 58.2 0.1 . 1 . . . . 47 SER CA . 15766 1 209 . 1 1 47 47 SER N N 15 118.9 0.1 . 1 . . . . 47 SER N . 15766 1 210 . 1 1 48 48 ASP H H 1 8.28 0.01 . 1 . . . . 48 ASP H . 15766 1 211 . 1 1 48 48 ASP HA H 1 4.88 0.01 . 1 . . . . 48 ASP HA . 15766 1 212 . 1 1 48 48 ASP CA C 13 52.1 0.1 . 1 . . . . 48 ASP CA . 15766 1 213 . 1 1 48 48 ASP N N 15 123.2 0.1 . 1 . . . . 48 ASP N . 15766 1 214 . 1 1 49 49 PRO C C 13 177.4 0.1 . 1 . . . . 49 PRO C . 15766 1 215 . 1 1 49 49 PRO CA C 13 63.8 0.1 . 1 . . . . 49 PRO CA . 15766 1 216 . 1 1 50 50 MET H H 1 8.42 0.01 . 1 . . . . 50 MET H . 15766 1 217 . 1 1 50 50 MET HA H 1 4.48 0.01 . 1 . . . . 50 MET HA . 15766 1 218 . 1 1 50 50 MET C C 13 176.9 0.1 . 1 . . . . 50 MET C . 15766 1 219 . 1 1 50 50 MET CA C 13 55.5 0.1 . 1 . . . . 50 MET CA . 15766 1 220 . 1 1 50 50 MET N N 15 117.7 0.1 . 1 . . . . 50 MET N . 15766 1 221 . 1 1 51 51 SER H H 1 8.03 0.01 . 1 . . . . 51 SER H . 15766 1 222 . 1 1 51 51 SER HA H 1 4.43 0.01 . 1 . . . . 51 SER HA . 15766 1 223 . 1 1 51 51 SER C C 13 174.7 0.1 . 1 . . . . 51 SER C . 15766 1 224 . 1 1 51 51 SER CA C 13 58.7 0.1 . 1 . . . . 51 SER CA . 15766 1 225 . 1 1 51 51 SER N N 15 115.8 0.1 . 1 . . . . 51 SER N . 15766 1 226 . 1 1 52 52 SER H H 1 8.36 0.01 . 1 . . . . 52 SER H . 15766 1 227 . 1 1 52 52 SER HA H 1 4.45 0.01 . 1 . . . . 52 SER HA . 15766 1 228 . 1 1 52 52 SER C C 13 175.1 0.1 . 1 . . . . 52 SER C . 15766 1 229 . 1 1 52 52 SER CA C 13 59.2 0.1 . 1 . . . . 52 SER CA . 15766 1 230 . 1 1 52 52 SER N N 15 117.7 0.1 . 1 . . . . 52 SER N . 15766 1 231 . 1 1 53 53 THR H H 1 8.05 0.01 . 1 . . . . 53 THR H . 15766 1 232 . 1 1 53 53 THR HA H 1 4.28 0.01 . 1 . . . . 53 THR HA . 15766 1 233 . 1 1 53 53 THR C C 13 174.4 0.1 . 1 . . . . 53 THR C . 15766 1 234 . 1 1 53 53 THR CA C 13 62.6 0.1 . 1 . . . . 53 THR CA . 15766 1 235 . 1 1 53 53 THR N N 15 115.2 0.1 . 1 . . . . 53 THR N . 15766 1 236 . 1 1 54 54 TYR H H 1 8.01 0.01 . 1 . . . . 54 TYR H . 15766 1 237 . 1 1 54 54 TYR HA H 1 4.51 0.01 . 1 . . . . 54 TYR HA . 15766 1 238 . 1 1 54 54 TYR C C 13 175.8 0.1 . 1 . . . . 54 TYR C . 15766 1 239 . 1 1 54 54 TYR CA C 13 58.8 0.1 . 1 . . . . 54 TYR CA . 15766 1 240 . 1 1 54 54 TYR N N 15 122.8 0.1 . 1 . . . . 54 TYR N . 15766 1 241 . 1 1 55 55 ILE H H 1 7.89 0.01 . 1 . . . . 55 ILE H . 15766 1 242 . 1 1 55 55 ILE HA H 1 3.98 0.01 . 1 . . . . 55 ILE HA . 15766 1 243 . 1 1 55 55 ILE C C 13 176.4 0.1 . 1 . . . . 55 ILE C . 15766 1 244 . 1 1 55 55 ILE CA C 13 61.6 0.1 . 1 . . . . 55 ILE CA . 15766 1 245 . 1 1 55 55 ILE N N 15 122.8 0.1 . 1 . . . . 55 ILE N . 15766 1 246 . 1 1 56 56 GLU H H 1 8.26 0.01 . 1 . . . . 56 GLU H . 15766 1 247 . 1 1 56 56 GLU HA H 1 4.12 0.01 . 1 . . . . 56 GLU HA . 15766 1 248 . 1 1 56 56 GLU C C 13 177.1 0.1 . 1 . . . . 56 GLU C . 15766 1 249 . 1 1 56 56 GLU CA C 13 57.5 0.1 . 1 . . . . 56 GLU CA . 15766 1 250 . 1 1 56 56 GLU N N 15 124.2 0.1 . 1 . . . . 56 GLU N . 15766 1 251 . 1 1 57 57 GLU H H 1 8.32 0.01 . 1 . . . . 57 GLU H . 15766 1 252 . 1 1 57 57 GLU HA H 1 4.22 0.01 . 1 . . . . 57 GLU HA . 15766 1 253 . 1 1 57 57 GLU C C 13 177.1 0.1 . 1 . . . . 57 GLU C . 15766 1 254 . 1 1 57 57 GLU CA C 13 57.5 0.1 . 1 . . . . 57 GLU CA . 15766 1 255 . 1 1 57 57 GLU N N 15 121.6 0.1 . 1 . . . . 57 GLU N . 15766 1 256 . 1 1 58 58 LEU H H 1 8.16 0.01 . 1 . . . . 58 LEU H . 15766 1 257 . 1 1 58 58 LEU HA H 1 4.21 0.01 . 1 . . . . 58 LEU HA . 15766 1 258 . 1 1 58 58 LEU C C 13 178.5 0.1 . 1 . . . . 58 LEU C . 15766 1 259 . 1 1 58 58 LEU CA C 13 55.8 0.1 . 1 . . . . 58 LEU CA . 15766 1 260 . 1 1 58 58 LEU N N 15 122.3 0.1 . 1 . . . . 58 LEU N . 15766 1 261 . 1 1 59 59 GLY H H 1 8.32 0.01 . 1 . . . . 59 GLY H . 15766 1 262 . 1 1 59 59 GLY HA2 H 1 3.92 0.01 . 2 . . . . 59 GLY HA2 . 15766 1 263 . 1 1 59 59 GLY HA3 H 1 3.92 0.01 . 2 . . . . 59 GLY HA3 . 15766 1 264 . 1 1 59 59 GLY C C 13 174.4 0.1 . 1 . . . . 59 GLY C . 15766 1 265 . 1 1 59 59 GLY CA C 13 45.7 0.1 . 1 . . . . 59 GLY CA . 15766 1 266 . 1 1 59 59 GLY N N 15 108.2 0.1 . 1 . . . . 59 GLY N . 15766 1 267 . 1 1 60 60 LYS H H 1 7.92 0.01 . 1 . . . . 60 LYS H . 15766 1 268 . 1 1 60 60 LYS HA H 1 4.31 0.01 . 1 . . . . 60 LYS HA . 15766 1 269 . 1 1 60 60 LYS C C 13 176.6 0.1 . 1 . . . . 60 LYS C . 15766 1 270 . 1 1 60 60 LYS CA C 13 56.5 0.1 . 1 . . . . 60 LYS CA . 15766 1 271 . 1 1 60 60 LYS N N 15 120.1 0.1 . 1 . . . . 60 LYS N . 15766 1 272 . 1 1 61 61 ARG H H 1 8.19 0.01 . 1 . . . . 61 ARG H . 15766 1 273 . 1 1 61 61 ARG HA H 1 4.34 0.01 . 1 . . . . 61 ARG HA . 15766 1 274 . 1 1 61 61 ARG CA C 13 56.4 0.1 . 1 . . . . 61 ARG CA . 15766 1 275 . 1 1 61 61 ARG N N 15 121.4 0.1 . 1 . . . . 61 ARG N . 15766 1 276 . 1 1 62 62 GLU CA C 13 56.4 0.1 . 1 . . . . 62 GLU CA . 15766 1 277 . 1 1 63 63 VAL H H 1 8.20 0.01 . 1 . . . . 63 VAL H . 15766 1 278 . 1 1 63 63 VAL HA H 1 4.19 0.01 . 1 . . . . 63 VAL HA . 15766 1 279 . 1 1 63 63 VAL C C 13 176.1 0.1 . 1 . . . . 63 VAL C . 15766 1 280 . 1 1 63 63 VAL CA C 13 62.3 0.1 . 1 . . . . 63 VAL CA . 15766 1 281 . 1 1 63 63 VAL N N 15 121.0 0.1 . 1 . . . . 63 VAL N . 15766 1 282 . 1 1 64 64 THR H H 1 8.24 0.01 . 1 . . . . 64 THR H . 15766 1 283 . 1 1 64 64 THR HA H 1 4.33 0.01 . 1 . . . . 64 THR HA . 15766 1 284 . 1 1 64 64 THR C C 13 174.0 0.1 . 1 . . . . 64 THR C . 15766 1 285 . 1 1 64 64 THR CA C 13 62.1 0.1 . 1 . . . . 64 THR CA . 15766 1 286 . 1 1 64 64 THR N N 15 118.7 0.1 . 1 . . . . 64 THR N . 15766 1 287 . 1 1 65 65 ILE H H 1 8.24 0.01 . 1 . . . . 65 ILE H . 15766 1 288 . 1 1 65 65 ILE HA H 1 4.46 0.01 . 1 . . . . 65 ILE HA . 15766 1 289 . 1 1 65 65 ILE CA C 13 58.5 0.1 . 1 . . . . 65 ILE CA . 15766 1 290 . 1 1 65 65 ILE N N 15 125.6 0.1 . 1 . . . . 65 ILE N . 15766 1 291 . 1 1 67 67 PRO C C 13 177.3 0.1 . 1 . . . . 67 PRO C . 15766 1 292 . 1 1 67 67 PRO CA C 13 63.7 0.1 . 1 . . . . 67 PRO CA . 15766 1 293 . 1 1 68 68 LYS H H 1 8.35 0.01 . 1 . . . . 68 LYS H . 15766 1 294 . 1 1 68 68 LYS HA H 1 4.18 0.01 . 1 . . . . 68 LYS HA . 15766 1 295 . 1 1 68 68 LYS C C 13 176.9 0.1 . 1 . . . . 68 LYS C . 15766 1 296 . 1 1 68 68 LYS CA C 13 57.1 0.1 . 1 . . . . 68 LYS CA . 15766 1 297 . 1 1 68 68 LYS N N 15 119.3 0.1 . 1 . . . . 68 LYS N . 15766 1 298 . 1 1 69 69 TYR H H 1 7.98 0.01 . 1 . . . . 69 TYR H . 15766 1 299 . 1 1 69 69 TYR HA H 1 4.53 0.01 . 1 . . . . 69 TYR HA . 15766 1 300 . 1 1 69 69 TYR C C 13 176.2 0.1 . 1 . . . . 69 TYR C . 15766 1 301 . 1 1 69 69 TYR CA C 13 58.4 0.1 . 1 . . . . 69 TYR CA . 15766 1 302 . 1 1 69 69 TYR N N 15 119.6 0.1 . 1 . . . . 69 TYR N . 15766 1 303 . 1 1 70 70 ARG H H 1 8.06 0.01 . 1 . . . . 70 ARG H . 15766 1 304 . 1 1 70 70 ARG CA C 13 57.4 0.1 . 1 . . . . 70 ARG CA . 15766 1 305 . 1 1 70 70 ARG N N 15 121.4 0.1 . 1 . . . . 70 ARG N . 15766 1 306 . 1 1 71 71 GLU H H 1 8.28 0.01 . 1 . . . . 71 GLU H . 15766 1 307 . 1 1 71 71 GLU HA H 1 4.18 0.01 . 1 . . . . 71 GLU HA . 15766 1 308 . 1 1 71 71 GLU C C 13 177.0 0.1 . 1 . . . . 71 GLU C . 15766 1 309 . 1 1 71 71 GLU CA C 13 57.4 0.1 . 1 . . . . 71 GLU CA . 15766 1 310 . 1 1 71 71 GLU N N 15 120.6 0.1 . 1 . . . . 71 GLU N . 15766 1 311 . 1 1 72 72 LEU H H 1 8.04 0.01 . 1 . . . . 72 LEU H . 15766 1 312 . 1 1 72 72 LEU HA H 1 4.26 0.01 . 1 . . . . 72 LEU HA . 15766 1 313 . 1 1 72 72 LEU CA C 13 55.9 0.1 . 1 . . . . 72 LEU CA . 15766 1 314 . 1 1 72 72 LEU N N 15 122.0 0.1 . 1 . . . . 72 LEU N . 15766 1 315 . 1 1 73 73 LEU H H 1 8.00 0.01 . 1 . . . . 73 LEU H . 15766 1 316 . 1 1 73 73 LEU HA H 1 4.26 0.01 . 1 . . . . 73 LEU HA . 15766 1 317 . 1 1 73 73 LEU C C 13 177.4 0.1 . 1 . . . . 73 LEU C . 15766 1 318 . 1 1 73 73 LEU CA C 13 55.5 0.1 . 1 . . . . 73 LEU CA . 15766 1 319 . 1 1 73 73 LEU N N 15 121.4 0.1 . 1 . . . . 73 LEU N . 15766 1 320 . 1 1 74 74 ALA H H 1 7.99 0.01 . 1 . . . . 74 ALA H . 15766 1 321 . 1 1 74 74 ALA HA H 1 4.26 0.01 . 1 . . . . 74 ALA HA . 15766 1 322 . 1 1 74 74 ALA C C 13 177.9 0.1 . 1 . . . . 74 ALA C . 15766 1 323 . 1 1 74 74 ALA CA C 13 52.8 0.1 . 1 . . . . 74 ALA CA . 15766 1 324 . 1 1 74 74 ALA N N 15 123.4 0.1 . 1 . . . . 74 ALA N . 15766 1 325 . 1 1 75 75 LYS H H 1 8.07 0.01 . 1 . . . . 75 LYS H . 15766 1 326 . 1 1 75 75 LYS HA H 1 4.26 0.01 . 1 . . . . 75 LYS HA . 15766 1 327 . 1 1 75 75 LYS C C 13 176.1 0.1 . 1 . . . . 75 LYS C . 15766 1 328 . 1 1 75 75 LYS CA C 13 56.5 0.1 . 1 . . . . 75 LYS CA . 15766 1 329 . 1 1 75 75 LYS N N 15 119.9 0.1 . 1 . . . . 75 LYS N . 15766 1 330 . 1 1 76 76 LYS H H 1 8.40 0.01 . 1 . . . . 76 LYS H . 15766 1 331 . 1 1 76 76 LYS HA H 1 4.34 0.01 . 1 . . . . 76 LYS HA . 15766 1 332 . 1 1 76 76 LYS C C 13 176.6 0.1 . 1 . . . . 76 LYS C . 15766 1 333 . 1 1 76 76 LYS CA C 13 56.6 0.1 . 1 . . . . 76 LYS CA . 15766 1 334 . 1 1 76 76 LYS N N 15 121.6 0.1 . 1 . . . . 76 LYS N . 15766 1 335 . 1 1 77 77 GLU H H 1 8.40 0.01 . 1 . . . . 77 GLU H . 15766 1 336 . 1 1 77 77 GLU HA H 1 4.36 0.01 . 1 . . . . 77 GLU HA . 15766 1 337 . 1 1 77 77 GLU C C 13 176.9 0.1 . 1 . . . . 77 GLU C . 15766 1 338 . 1 1 77 77 GLU CA C 13 56.5 0.1 . 1 . . . . 77 GLU CA . 15766 1 339 . 1 1 77 77 GLU N N 15 121.9 0.1 . 1 . . . . 77 GLU N . 15766 1 340 . 1 1 78 78 GLY H H 1 8.37 0.01 . 1 . . . . 78 GLY H . 15766 1 341 . 1 1 78 78 GLY HA2 H 1 3.97 0.01 . 2 . . . . 78 GLY HA2 . 15766 1 342 . 1 1 78 78 GLY HA3 H 1 3.97 0.01 . 2 . . . . 78 GLY HA3 . 15766 1 343 . 1 1 78 78 GLY C C 13 174.1 0.1 . 1 . . . . 78 GLY C . 15766 1 344 . 1 1 78 78 GLY CA C 13 45.3 0.1 . 1 . . . . 78 GLY CA . 15766 1 345 . 1 1 78 78 GLY N N 15 109.5 0.1 . 1 . . . . 78 GLY N . 15766 1 346 . 1 1 79 79 ILE H H 1 8.00 0.01 . 1 . . . . 79 ILE H . 15766 1 347 . 1 1 79 79 ILE HA H 1 4.29 0.01 . 1 . . . . 79 ILE HA . 15766 1 348 . 1 1 79 79 ILE C C 13 176.6 0.1 . 1 . . . . 79 ILE C . 15766 1 349 . 1 1 79 79 ILE CA C 13 61.2 0.1 . 1 . . . . 79 ILE CA . 15766 1 350 . 1 1 79 79 ILE N N 15 119.6 0.1 . 1 . . . . 79 ILE N . 15766 1 351 . 1 1 80 80 THR H H 1 8.27 0.01 . 1 . . . . 80 THR H . 15766 1 352 . 1 1 80 80 THR HA H 1 4.41 0.01 . 1 . . . . 80 THR HA . 15766 1 353 . 1 1 80 80 THR C C 13 174.6 0.1 . 1 . . . . 80 THR C . 15766 1 354 . 1 1 80 80 THR CA C 13 61.9 0.1 . 1 . . . . 80 THR CA . 15766 1 355 . 1 1 80 80 THR N N 15 117.7 0.1 . 1 . . . . 80 THR N . 15766 1 356 . 1 1 81 81 GLY H H 1 8.18 0.01 . 1 . . . . 81 GLY H . 15766 1 357 . 1 1 81 81 GLY HA2 H 1 4.10 0.01 . 2 . . . . 81 GLY HA2 . 15766 1 358 . 1 1 81 81 GLY HA3 H 1 4.10 0.01 . 2 . . . . 81 GLY HA3 . 15766 1 359 . 1 1 81 81 GLY CA C 13 44.5 0.1 . 1 . . . . 81 GLY CA . 15766 1 360 . 1 1 81 81 GLY N N 15 111.3 0.1 . 1 . . . . 81 GLY N . 15766 1 361 . 1 1 83 83 PRO C C 13 176.9 0.1 . 1 . . . . 83 PRO C . 15766 1 362 . 1 1 83 83 PRO CA C 13 62.9 0.1 . 1 . . . . 83 PRO CA . 15766 1 363 . 1 1 84 84 ALA H H 1 8.44 0.01 . 1 . . . . 84 ALA H . 15766 1 364 . 1 1 84 84 ALA HA H 1 4.26 0.01 . 1 . . . . 84 ALA HA . 15766 1 365 . 1 1 84 84 ALA C C 13 177.7 0.1 . 1 . . . . 84 ALA C . 15766 1 366 . 1 1 84 84 ALA CA C 13 52.6 0.1 . 1 . . . . 84 ALA CA . 15766 1 367 . 1 1 84 84 ALA N N 15 124.2 0.1 . 1 . . . . 84 ALA N . 15766 1 368 . 1 1 85 85 ASP H H 1 8.31 0.01 . 1 . . . . 85 ASP H . 15766 1 369 . 1 1 85 85 ASP HA H 1 4.61 0.01 . 1 . . . . 85 ASP HA . 15766 1 370 . 1 1 85 85 ASP C C 13 176.5 0.1 . 1 . . . . 85 ASP C . 15766 1 371 . 1 1 85 85 ASP CA C 13 54.2 0.1 . 1 . . . . 85 ASP CA . 15766 1 372 . 1 1 85 85 ASP N N 15 119.3 0.1 . 1 . . . . 85 ASP N . 15766 1 373 . 1 1 86 86 SER H H 1 8.29 0.01 . 1 . . . . 86 SER H . 15766 1 374 . 1 1 86 86 SER HA H 1 4.46 0.01 . 1 . . . . 86 SER HA . 15766 1 375 . 1 1 86 86 SER CA C 13 58.6 0.1 . 1 . . . . 86 SER CA . 15766 1 376 . 1 1 86 86 SER N N 15 116.5 0.1 . 1 . . . . 86 SER N . 15766 1 377 . 1 1 87 87 SER C C 13 174.0 0.1 . 1 . . . . 87 SER C . 15766 1 378 . 1 1 87 87 SER CA C 13 58.8 0.1 . 1 . . . . 87 SER CA . 15766 1 379 . 1 1 88 88 LYS H H 1 8.08 0.01 . 1 . . . . 88 LYS H . 15766 1 380 . 1 1 88 88 LYS HA H 1 4.63 0.01 . 1 . . . . 88 LYS HA . 15766 1 381 . 1 1 88 88 LYS CA C 13 54.2 0.1 . 1 . . . . 88 LYS CA . 15766 1 382 . 1 1 88 88 LYS N N 15 123.9 0.1 . 1 . . . . 88 LYS N . 15766 1 383 . 1 1 89 89 PRO C C 13 176.8 0.1 . 1 . . . . 89 PRO C . 15766 1 384 . 1 1 89 89 PRO CA C 13 62.9 0.1 . 1 . . . . 89 PRO CA . 15766 1 385 . 1 1 90 90 ILE H H 1 8.29 0.01 . 1 . . . . 90 ILE H . 15766 1 386 . 1 1 90 90 ILE HA H 1 4.18 0.01 . 1 . . . . 90 ILE HA . 15766 1 387 . 1 1 90 90 ILE C C 13 176.5 0.1 . 1 . . . . 90 ILE C . 15766 1 388 . 1 1 90 90 ILE CA C 13 61.3 0.1 . 1 . . . . 90 ILE CA . 15766 1 389 . 1 1 90 90 ILE N N 15 121.3 0.1 . 1 . . . . 90 ILE N . 15766 1 390 . 1 1 91 91 GLY H H 1 8.45 0.01 . 1 . . . . 91 GLY H . 15766 1 391 . 1 1 91 91 GLY HA2 H 1 4.13 0.01 . 2 . . . . 91 GLY HA2 . 15766 1 392 . 1 1 91 91 GLY HA3 H 1 4.13 0.01 . 2 . . . . 91 GLY HA3 . 15766 1 393 . 1 1 91 91 GLY CA C 13 44.6 0.1 . 1 . . . . 91 GLY CA . 15766 1 394 . 1 1 91 91 GLY N N 15 113.5 0.1 . 1 . . . . 91 GLY N . 15766 1 395 . 1 1 92 92 PRO C C 13 177.2 0.1 . 1 . . . . 92 PRO C . 15766 1 396 . 1 1 92 92 PRO CA C 13 63.6 0.1 . 1 . . . . 92 PRO CA . 15766 1 397 . 1 1 93 93 ASP H H 1 8.45 0.01 . 1 . . . . 93 ASP H . 15766 1 398 . 1 1 93 93 ASP HA H 1 4.61 0.01 . 1 . . . . 93 ASP HA . 15766 1 399 . 1 1 93 93 ASP C C 13 176.2 0.1 . 1 . . . . 93 ASP C . 15766 1 400 . 1 1 93 93 ASP CA C 13 54.6 0.1 . 1 . . . . 93 ASP CA . 15766 1 401 . 1 1 93 93 ASP N N 15 119.3 0.1 . 1 . . . . 93 ASP N . 15766 1 402 . 1 1 94 94 ASP H H 1 8.04 0.01 . 1 . . . . 94 ASP H . 15766 1 403 . 1 1 94 94 ASP HA H 1 4.54 0.01 . 1 . . . . 94 ASP HA . 15766 1 404 . 1 1 94 94 ASP C C 13 176.0 0.1 . 1 . . . . 94 ASP C . 15766 1 405 . 1 1 94 94 ASP CA C 13 54.6 0.1 . 1 . . . . 94 ASP CA . 15766 1 406 . 1 1 94 94 ASP N N 15 120.2 0.1 . 1 . . . . 94 ASP N . 15766 1 407 . 1 1 95 95 ALA H H 1 8.10 0.01 . 1 . . . . 95 ALA H . 15766 1 408 . 1 1 95 95 ALA HA H 1 4.32 0.01 . 1 . . . . 95 ALA HA . 15766 1 409 . 1 1 95 95 ALA C C 13 177.8 0.1 . 1 . . . . 95 ALA C . 15766 1 410 . 1 1 95 95 ALA CA C 13 52.6 0.1 . 1 . . . . 95 ALA CA . 15766 1 411 . 1 1 95 95 ALA N N 15 123.4 0.1 . 1 . . . . 95 ALA N . 15766 1 412 . 1 1 96 96 ILE H H 1 8.01 0.01 . 1 . . . . 96 ILE H . 15766 1 413 . 1 1 96 96 ILE HA H 1 4.11 0.01 . 1 . . . . 96 ILE HA . 15766 1 414 . 1 1 96 96 ILE C C 13 176.3 0.1 . 1 . . . . 96 ILE C . 15766 1 415 . 1 1 96 96 ILE CA C 13 61.5 0.1 . 1 . . . . 96 ILE CA . 15766 1 416 . 1 1 96 96 ILE N N 15 119.3 0.1 . 1 . . . . 96 ILE N . 15766 1 417 . 1 1 97 97 ASP H H 1 8.32 0.01 . 1 . . . . 97 ASP H . 15766 1 418 . 1 1 97 97 ASP HA H 1 4.58 0.01 . 1 . . . . 97 ASP HA . 15766 1 419 . 1 1 97 97 ASP C C 13 176.0 0.1 . 1 . . . . 97 ASP C . 15766 1 420 . 1 1 97 97 ASP CA C 13 54.4 0.1 . 1 . . . . 97 ASP CA . 15766 1 421 . 1 1 97 97 ASP N N 15 123.5 0.1 . 1 . . . . 97 ASP N . 15766 1 422 . 1 1 98 98 ALA H H 1 8.17 0.01 . 1 . . . . 98 ALA H . 15766 1 423 . 1 1 98 98 ALA C C 13 177.9 0.1 . 1 . . . . 98 ALA C . 15766 1 424 . 1 1 98 98 ALA CA C 13 52.8 0.1 . 1 . . . . 98 ALA CA . 15766 1 425 . 1 1 98 98 ALA N N 15 123.6 0.1 . 1 . . . . 98 ALA N . 15766 1 426 . 1 1 99 99 LEU H H 1 8.15 0.01 . 1 . . . . 99 LEU H . 15766 1 427 . 1 1 99 99 LEU HA H 1 4.36 0.01 . 1 . . . . 99 LEU HA . 15766 1 428 . 1 1 99 99 LEU C C 13 177.8 0.1 . 1 . . . . 99 LEU C . 15766 1 429 . 1 1 99 99 LEU CA C 13 55.3 0.1 . 1 . . . . 99 LEU CA . 15766 1 430 . 1 1 99 99 LEU N N 15 120.0 0.1 . 1 . . . . 99 LEU N . 15766 1 431 . 1 1 100 100 SER H H 1 8.11 0.01 . 1 . . . . 100 SER H . 15766 1 432 . 1 1 100 100 SER HA H 1 4.46 0.01 . 1 . . . . 100 SER HA . 15766 1 433 . 1 1 100 100 SER C C 13 174.9 0.1 . 1 . . . . 100 SER C . 15766 1 434 . 1 1 100 100 SER CA C 13 58.5 0.1 . 1 . . . . 100 SER CA . 15766 1 435 . 1 1 100 100 SER N N 15 115.7 0.1 . 1 . . . . 100 SER N . 15766 1 436 . 1 1 101 101 SER H H 1 8.28 0.01 . 1 . . . . 101 SER H . 15766 1 437 . 1 1 101 101 SER HA H 1 4.40 0.01 . 1 . . . . 101 SER HA . 15766 1 438 . 1 1 101 101 SER C C 13 174.1 0.1 . 1 . . . . 101 SER C . 15766 1 439 . 1 1 101 101 SER CA C 13 58.6 0.1 . 1 . . . . 101 SER CA . 15766 1 440 . 1 1 101 101 SER N N 15 117.5 0.1 . 1 . . . . 101 SER N . 15766 1 441 . 1 1 102 102 ASP H H 1 8.21 0.01 . 1 . . . . 102 ASP H . 15766 1 442 . 1 1 102 102 ASP HA H 1 4.57 0.01 . 1 . . . . 102 ASP HA . 15766 1 443 . 1 1 102 102 ASP C C 13 176.2 0.1 . 1 . . . . 102 ASP C . 15766 1 444 . 1 1 102 102 ASP CA C 13 54.4 0.1 . 1 . . . . 102 ASP CA . 15766 1 445 . 1 1 102 102 ASP N N 15 121.5 0.1 . 1 . . . . 102 ASP N . 15766 1 446 . 1 1 103 103 PHE H H 1 8.13 0.01 . 1 . . . . 103 PHE H . 15766 1 447 . 1 1 103 103 PHE HA H 1 4.68 0.01 . 1 . . . . 103 PHE HA . 15766 1 448 . 1 1 103 103 PHE C C 13 176.2 0.1 . 1 . . . . 103 PHE C . 15766 1 449 . 1 1 103 103 PHE CA C 13 58.0 0.1 . 1 . . . . 103 PHE CA . 15766 1 450 . 1 1 103 103 PHE N N 15 120.3 0.1 . 1 . . . . 103 PHE N . 15766 1 451 . 1 1 104 104 THR H H 1 8.11 0.01 . 1 . . . . 104 THR H . 15766 1 452 . 1 1 104 104 THR HA H 1 4.29 0.01 . 1 . . . . 104 THR HA . 15766 1 453 . 1 1 104 104 THR C C 13 174.7 0.1 . 1 . . . . 104 THR C . 15766 1 454 . 1 1 104 104 THR CA C 13 62.4 0.1 . 1 . . . . 104 THR CA . 15766 1 455 . 1 1 104 104 THR N N 15 115.0 0.1 . 1 . . . . 104 THR N . 15766 1 456 . 1 1 105 105 CYS H H 1 8.37 0.01 . 1 . . . . 105 CYS H . 15766 1 457 . 1 1 105 105 CYS C C 13 175.0 0.1 . 1 . . . . 105 CYS C . 15766 1 458 . 1 1 105 105 CYS CA C 13 57.9 0.1 . 1 . . . . 105 CYS CA . 15766 1 459 . 1 1 105 105 CYS N N 15 120.6 0.1 . 1 . . . . 105 CYS N . 15766 1 460 . 1 1 106 106 GLY H H 1 8.42 0.01 . 1 . . . . 106 GLY H . 15766 1 461 . 1 1 106 106 GLY HA2 H 1 3.98 0.01 . 2 . . . . 106 GLY HA2 . 15766 1 462 . 1 1 106 106 GLY HA3 H 1 3.98 0.01 . 2 . . . . 106 GLY HA3 . 15766 1 463 . 1 1 106 106 GLY C C 13 173.7 0.1 . 1 . . . . 106 GLY C . 15766 1 464 . 1 1 106 106 GLY CA C 13 45.3 0.1 . 1 . . . . 106 GLY CA . 15766 1 465 . 1 1 106 106 GLY N N 15 110.5 0.1 . 1 . . . . 106 GLY N . 15766 1 466 . 1 1 107 107 SER H H 1 8.11 0.01 . 1 . . . . 107 SER H . 15766 1 467 . 1 1 107 107 SER CA C 13 56.3 0.1 . 1 . . . . 107 SER CA . 15766 1 468 . 1 1 107 107 SER N N 15 116.3 0.1 . 1 . . . . 107 SER N . 15766 1 469 . 1 1 108 108 PRO C C 13 177.4 0.1 . 1 . . . . 108 PRO C . 15766 1 470 . 1 1 108 108 PRO CA C 13 63.7 0.1 . 1 . . . . 108 PRO CA . 15766 1 471 . 1 1 109 109 THR H H 1 8.11 0.01 . 1 . . . . 109 THR H . 15766 1 472 . 1 1 109 109 THR HA H 1 4.29 0.01 . 1 . . . . 109 THR HA . 15766 1 473 . 1 1 109 109 THR C C 13 174.6 0.1 . 1 . . . . 109 THR C . 15766 1 474 . 1 1 109 109 THR CA C 13 62.1 0.1 . 1 . . . . 109 THR CA . 15766 1 475 . 1 1 109 109 THR N N 15 113.2 0.1 . 1 . . . . 109 THR N . 15766 1 476 . 1 1 110 110 ALA H H 1 8.19 0.01 . 1 . . . . 110 ALA H . 15766 1 477 . 1 1 110 110 ALA HA H 1 4.31 0.01 . 1 . . . . 110 ALA HA . 15766 1 478 . 1 1 110 110 ALA C C 13 177.5 0.1 . 1 . . . . 110 ALA C . 15766 1 479 . 1 1 110 110 ALA CA C 13 52.7 0.1 . 1 . . . . 110 ALA CA . 15766 1 480 . 1 1 110 110 ALA N N 15 126.1 0.1 . 1 . . . . 110 ALA N . 15766 1 481 . 1 1 111 111 ALA H H 1 8.21 0.01 . 1 . . . . 111 ALA H . 15766 1 482 . 1 1 111 111 ALA HA H 1 4.28 0.01 . 1 . . . . 111 ALA HA . 15766 1 483 . 1 1 111 111 ALA C C 13 178.3 0.1 . 1 . . . . 111 ALA C . 15766 1 484 . 1 1 111 111 ALA CA C 13 52.9 0.1 . 1 . . . . 111 ALA CA . 15766 1 485 . 1 1 111 111 ALA N N 15 122.9 0.1 . 1 . . . . 111 ALA N . 15766 1 486 . 1 1 112 112 GLY H H 1 8.28 0.01 . 1 . . . . 112 GLY H . 15766 1 487 . 1 1 112 112 GLY HA2 H 1 3.95 0.01 . 2 . . . . 112 GLY HA2 . 15766 1 488 . 1 1 112 112 GLY HA3 H 1 3.95 0.01 . 2 . . . . 112 GLY HA3 . 15766 1 489 . 1 1 112 112 GLY C C 13 174.0 0.1 . 1 . . . . 112 GLY C . 15766 1 490 . 1 1 112 112 GLY CA C 13 45.3 0.1 . 1 . . . . 112 GLY CA . 15766 1 491 . 1 1 112 112 GLY N N 15 107.7 0.1 . 1 . . . . 112 GLY N . 15766 1 492 . 1 1 113 113 LYS H H 1 8.07 0.01 . 1 . . . . 113 LYS H . 15766 1 493 . 1 1 113 113 LYS HA H 1 4.33 0.01 . 1 . . . . 113 LYS HA . 15766 1 494 . 1 1 113 113 LYS C C 13 176.8 0.1 . 1 . . . . 113 LYS C . 15766 1 495 . 1 1 113 113 LYS CA C 13 56.5 0.1 . 1 . . . . 113 LYS CA . 15766 1 496 . 1 1 113 113 LYS N N 15 120.7 0.1 . 1 . . . . 113 LYS N . 15766 1 497 . 1 1 114 114 LYS H H 1 8.24 0.01 . 1 . . . . 114 LYS H . 15766 1 498 . 1 1 114 114 LYS HA H 1 4.30 0.01 . 1 . . . . 114 LYS HA . 15766 1 499 . 1 1 114 114 LYS C C 13 176.8 0.1 . 1 . . . . 114 LYS C . 15766 1 500 . 1 1 114 114 LYS CA C 13 56.4 0.1 . 1 . . . . 114 LYS CA . 15766 1 501 . 1 1 114 114 LYS N N 15 122.5 0.1 . 1 . . . . 114 LYS N . 15766 1 502 . 1 1 115 115 THR H H 1 8.26 0.01 . 1 . . . . 115 THR H . 15766 1 503 . 1 1 115 115 THR HA H 1 4.33 0.01 . 1 . . . . 115 THR HA . 15766 1 504 . 1 1 115 115 THR C C 13 174.6 0.1 . 1 . . . . 115 THR C . 15766 1 505 . 1 1 115 115 THR CA C 13 62.0 0.1 . 1 . . . . 115 THR CA . 15766 1 506 . 1 1 115 115 THR N N 15 115.6 0.1 . 1 . . . . 115 THR N . 15766 1 507 . 1 1 116 116 GLU H H 1 8.49 0.01 . 1 . . . . 116 GLU H . 15766 1 508 . 1 1 116 116 GLU HA H 1 4.34 0.01 . 1 . . . . 116 GLU HA . 15766 1 509 . 1 1 116 116 GLU C C 13 176.5 0.1 . 1 . . . . 116 GLU C . 15766 1 510 . 1 1 116 116 GLU CA C 13 56.9 0.1 . 1 . . . . 116 GLU CA . 15766 1 511 . 1 1 116 116 GLU N N 15 123.2 0.1 . 1 . . . . 116 GLU N . 15766 1 512 . 1 1 117 117 LYS H H 1 8.33 0.01 . 1 . . . . 117 LYS H . 15766 1 513 . 1 1 117 117 LYS HA H 1 4.26 0.01 . 1 . . . . 117 LYS HA . 15766 1 514 . 1 1 117 117 LYS C C 13 176.6 0.1 . 1 . . . . 117 LYS C . 15766 1 515 . 1 1 117 117 LYS CA C 13 56.2 0.1 . 1 . . . . 117 LYS CA . 15766 1 516 . 1 1 117 117 LYS N N 15 121.5 0.1 . 1 . . . . 117 LYS N . 15766 1 517 . 1 1 118 118 GLU H H 1 8.46 0.01 . 1 . . . . 118 GLU H . 15766 1 518 . 1 1 118 118 GLU HA H 1 4.42 0.01 . 1 . . . . 118 GLU HA . 15766 1 519 . 1 1 118 118 GLU C C 13 176.4 0.1 . 1 . . . . 118 GLU C . 15766 1 520 . 1 1 118 118 GLU CA C 13 56.6 0.1 . 1 . . . . 118 GLU CA . 15766 1 521 . 1 1 118 118 GLU N N 15 123.3 0.1 . 1 . . . . 118 GLU N . 15766 1 522 . 1 1 119 119 GLU H H 1 8.46 0.01 . 1 . . . . 119 GLU H . 15766 1 523 . 1 1 119 119 GLU HA H 1 4.26 0.01 . 1 . . . . 119 GLU HA . 15766 1 524 . 1 1 119 119 GLU C C 13 176.6 0.1 . 1 . . . . 119 GLU C . 15766 1 525 . 1 1 119 119 GLU CA C 13 56.7 0.1 . 1 . . . . 119 GLU CA . 15766 1 526 . 1 1 119 119 GLU N N 15 122.2 0.1 . 1 . . . . 119 GLU N . 15766 1 527 . 1 1 120 120 SER H H 1 8.44 0.01 . 1 . . . . 120 SER H . 15766 1 528 . 1 1 120 120 SER HA H 1 4.51 0.01 . 1 . . . . 120 SER HA . 15766 1 529 . 1 1 120 120 SER C C 13 175.2 0.1 . 1 . . . . 120 SER C . 15766 1 530 . 1 1 120 120 SER CA C 13 58.5 0.1 . 1 . . . . 120 SER CA . 15766 1 531 . 1 1 120 120 SER N N 15 116.7 0.1 . 1 . . . . 120 SER N . 15766 1 532 . 1 1 121 121 THR H H 1 8.25 0.01 . 1 . . . . 121 THR H . 15766 1 533 . 1 1 121 121 THR HA H 1 4.32 0.01 . 1 . . . . 121 THR HA . 15766 1 534 . 1 1 121 121 THR C C 13 175.1 0.1 . 1 . . . . 121 THR C . 15766 1 535 . 1 1 121 121 THR CA C 13 62.9 0.1 . 1 . . . . 121 THR CA . 15766 1 536 . 1 1 121 121 THR N N 15 116.0 0.1 . 1 . . . . 121 THR N . 15766 1 537 . 1 1 122 122 GLU H H 1 8.35 0.01 . 1 . . . . 122 GLU H . 15766 1 538 . 1 1 122 122 GLU HA H 1 4.25 0.01 . 1 . . . . 122 GLU HA . 15766 1 539 . 1 1 122 122 GLU C C 13 177.4 0.1 . 1 . . . . 122 GLU C . 15766 1 540 . 1 1 122 122 GLU CA C 13 57.5 0.1 . 1 . . . . 122 GLU CA . 15766 1 541 . 1 1 122 122 GLU N N 15 122.7 0.1 . 1 . . . . 122 GLU N . 15766 1 542 . 1 1 123 123 VAL H H 1 7.97 0.01 . 1 . . . . 123 VAL H . 15766 1 543 . 1 1 123 123 VAL HA H 1 4.00 0.01 . 1 . . . . 123 VAL HA . 15766 1 544 . 1 1 123 123 VAL C C 13 176.7 0.1 . 1 . . . . 123 VAL C . 15766 1 545 . 1 1 123 123 VAL CA C 13 63.5 0.1 . 1 . . . . 123 VAL CA . 15766 1 546 . 1 1 123 123 VAL N N 15 121.1 0.1 . 1 . . . . 123 VAL N . 15766 1 547 . 1 1 124 124 LEU H H 1 8.13 0.01 . 1 . . . . 124 LEU H . 15766 1 548 . 1 1 124 124 LEU HA H 1 4.28 0.01 . 1 . . . . 124 LEU HA . 15766 1 549 . 1 1 124 124 LEU C C 13 178.0 0.1 . 1 . . . . 124 LEU C . 15766 1 550 . 1 1 124 124 LEU CA C 13 55.9 0.1 . 1 . . . . 124 LEU CA . 15766 1 551 . 1 1 124 124 LEU N N 15 124.1 0.1 . 1 . . . . 124 LEU N . 15766 1 552 . 1 1 125 125 LYS H H 1 8.18 0.01 . 1 . . . . 125 LYS H . 15766 1 553 . 1 1 125 125 LYS HA H 1 4.24 0.01 . 1 . . . . 125 LYS HA . 15766 1 554 . 1 1 125 125 LYS C C 13 176.9 0.1 . 1 . . . . 125 LYS C . 15766 1 555 . 1 1 125 125 LYS CA C 13 56.9 0.1 . 1 . . . . 125 LYS CA . 15766 1 556 . 1 1 125 125 LYS N N 15 121.7 0.1 . 1 . . . . 125 LYS N . 15766 1 557 . 1 1 126 126 ALA H H 1 8.12 0.01 . 1 . . . . 126 ALA H . 15766 1 558 . 1 1 126 126 ALA HA H 1 4.27 0.01 . 1 . . . . 126 ALA HA . 15766 1 559 . 1 1 126 126 ALA C C 13 178.2 0.1 . 1 . . . . 126 ALA C . 15766 1 560 . 1 1 126 126 ALA CA C 13 53.0 0.1 . 1 . . . . 126 ALA CA . 15766 1 561 . 1 1 126 126 ALA N N 15 124.2 0.1 . 1 . . . . 126 ALA N . 15766 1 562 . 1 1 127 127 GLN H H 1 8.28 0.01 . 1 . . . . 127 GLN H . 15766 1 563 . 1 1 127 127 GLN HA H 1 4.33 0.01 . 1 . . . . 127 GLN HA . 15766 1 564 . 1 1 127 127 GLN C C 13 176.5 0.1 . 1 . . . . 127 GLN C . 15766 1 565 . 1 1 127 127 GLN CA C 13 56.2 0.1 . 1 . . . . 127 GLN CA . 15766 1 566 . 1 1 127 127 GLN N N 15 119.0 0.1 . 1 . . . . 127 GLN N . 15766 1 567 . 1 1 128 128 SER H H 1 8.25 0.01 . 1 . . . . 128 SER H . 15766 1 568 . 1 1 128 128 SER C C 13 174.5 0.1 . 1 . . . . 128 SER C . 15766 1 569 . 1 1 128 128 SER CA C 13 58.5 0.1 . 1 . . . . 128 SER CA . 15766 1 570 . 1 1 128 128 SER N N 15 116.3 0.1 . 1 . . . . 128 SER N . 15766 1 571 . 1 1 129 129 ALA H H 1 8.33 0.01 . 1 . . . . 129 ALA H . 15766 1 572 . 1 1 129 129 ALA HA H 1 4.35 0.01 . 1 . . . . 129 ALA HA . 15766 1 573 . 1 1 129 129 ALA C C 13 178.3 0.1 . 1 . . . . 129 ALA C . 15766 1 574 . 1 1 129 129 ALA CA C 13 53.0 0.1 . 1 . . . . 129 ALA CA . 15766 1 575 . 1 1 129 129 ALA N N 15 125.7 0.1 . 1 . . . . 129 ALA N . 15766 1 576 . 1 1 130 130 GLY H H 1 8.33 0.01 . 1 . . . . 130 GLY H . 15766 1 577 . 1 1 130 130 GLY HA2 H 1 4.00 0.01 . 2 . . . . 130 GLY HA2 . 15766 1 578 . 1 1 130 130 GLY HA3 H 1 4.00 0.01 . 2 . . . . 130 GLY HA3 . 15766 1 579 . 1 1 130 130 GLY C C 13 174.4 0.1 . 1 . . . . 130 GLY C . 15766 1 580 . 1 1 130 130 GLY CA C 13 45.4 0.1 . 1 . . . . 130 GLY CA . 15766 1 581 . 1 1 130 130 GLY N N 15 107.4 0.1 . 1 . . . . 130 GLY N . 15766 1 582 . 1 1 131 131 THR H H 1 8.00 0.01 . 1 . . . . 131 THR H . 15766 1 583 . 1 1 131 131 THR HA H 1 4.35 0.01 . 1 . . . . 131 THR HA . 15766 1 584 . 1 1 131 131 THR C C 13 174.6 0.1 . 1 . . . . 131 THR C . 15766 1 585 . 1 1 131 131 THR CA C 13 62.1 0.1 . 1 . . . . 131 THR CA . 15766 1 586 . 1 1 131 131 THR N N 15 113.9 0.1 . 1 . . . . 131 THR N . 15766 1 587 . 1 1 132 132 VAL H H 1 8.18 0.01 . 1 . . . . 132 VAL H . 15766 1 588 . 1 1 132 132 VAL HA H 1 4.11 0.01 . 1 . . . . 132 VAL HA . 15766 1 589 . 1 1 132 132 VAL C C 13 176.1 0.1 . 1 . . . . 132 VAL C . 15766 1 590 . 1 1 132 132 VAL CA C 13 62.5 0.1 . 1 . . . . 132 VAL CA . 15766 1 591 . 1 1 132 132 VAL N N 15 123.0 0.1 . 1 . . . . 132 VAL N . 15766 1 592 . 1 1 133 133 ARG H H 1 8.47 0.01 . 1 . . . . 133 ARG H . 15766 1 593 . 1 1 133 133 ARG HA H 1 4.39 0.01 . 1 . . . . 133 ARG HA . 15766 1 594 . 1 1 133 133 ARG C C 13 176.2 0.1 . 1 . . . . 133 ARG C . 15766 1 595 . 1 1 133 133 ARG CA C 13 56.0 0.1 . 1 . . . . 133 ARG CA . 15766 1 596 . 1 1 133 133 ARG N N 15 125.3 0.1 . 1 . . . . 133 ARG N . 15766 1 597 . 1 1 134 134 SER H H 1 8.33 0.01 . 1 . . . . 134 SER H . 15766 1 598 . 1 1 134 134 SER HA H 1 4.42 0.01 . 1 . . . . 134 SER HA . 15766 1 599 . 1 1 134 134 SER C C 13 174.0 0.1 . 1 . . . . 134 SER C . 15766 1 600 . 1 1 134 134 SER CA C 13 58.2 0.1 . 1 . . . . 134 SER CA . 15766 1 601 . 1 1 134 134 SER N N 15 117.3 0.1 . 1 . . . . 134 SER N . 15766 1 602 . 1 1 135 135 ALA H H 1 8.32 0.01 . 1 . . . . 135 ALA H . 15766 1 603 . 1 1 135 135 ALA HA H 1 4.34 0.01 . 1 . . . . 135 ALA HA . 15766 1 604 . 1 1 135 135 ALA C C 13 176.9 0.1 . 1 . . . . 135 ALA C . 15766 1 605 . 1 1 135 135 ALA CA C 13 52.2 0.1 . 1 . . . . 135 ALA CA . 15766 1 606 . 1 1 135 135 ALA N N 15 126.0 0.1 . 1 . . . . 135 ALA N . 15766 1 607 . 1 1 136 136 ALA H H 1 8.21 0.01 . 1 . . . . 136 ALA H . 15766 1 608 . 1 1 136 136 ALA HA H 1 4.58 0.01 . 1 . . . . 136 ALA HA . 15766 1 609 . 1 1 136 136 ALA CA C 13 50.4 0.1 . 1 . . . . 136 ALA CA . 15766 1 610 . 1 1 136 136 ALA N N 15 124.6 0.1 . 1 . . . . 136 ALA N . 15766 1 611 . 1 1 138 138 PRO C C 13 176.6 0.1 . 1 . . . . 138 PRO C . 15766 1 612 . 1 1 138 138 PRO CA C 13 63.1 0.1 . 1 . . . . 138 PRO CA . 15766 1 613 . 1 1 139 139 GLN H H 1 8.43 0.01 . 1 . . . . 139 GLN H . 15766 1 614 . 1 1 139 139 GLN HA H 1 4.31 0.01 . 1 . . . . 139 GLN HA . 15766 1 615 . 1 1 139 139 GLN C C 13 175.9 0.1 . 1 . . . . 139 GLN C . 15766 1 616 . 1 1 139 139 GLN CA C 13 55.8 0.1 . 1 . . . . 139 GLN CA . 15766 1 617 . 1 1 139 139 GLN N N 15 120.3 0.1 . 1 . . . . 139 GLN N . 15766 1 618 . 1 1 140 140 GLU H H 1 8.48 0.01 . 1 . . . . 140 GLU H . 15766 1 619 . 1 1 140 140 GLU HA H 1 4.31 0.01 . 1 . . . . 140 GLU HA . 15766 1 620 . 1 1 140 140 GLU C C 13 175.4 0.1 . 1 . . . . 140 GLU C . 15766 1 621 . 1 1 140 140 GLU CA C 13 57.2 0.1 . 1 . . . . 140 GLU CA . 15766 1 622 . 1 1 140 140 GLU N N 15 123.2 0.1 . 1 . . . . 140 GLU N . 15766 1 623 . 1 1 141 141 LYS H H 1 7.96 0.01 . 1 . . . . 141 LYS H . 15766 1 624 . 1 1 141 141 LYS HA H 1 4.16 0.01 . 1 . . . . 141 LYS HA . 15766 1 625 . 1 1 141 141 LYS C C 13 175.2 0.1 . 1 . . . . 141 LYS C . 15766 1 626 . 1 1 141 141 LYS CA C 13 58.1 0.1 . 1 . . . . 141 LYS CA . 15766 1 627 . 1 1 141 141 LYS N N 15 127.1 0.1 . 1 . . . . 141 LYS N . 15766 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15766 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 15766 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $SPARKY . . 15766 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 5 5 GLU N N 15 452.4 16.1 . . . . . 15766 1 2 . 1 1 7 7 LYS N N 15 676.3 60.5 . . . . . 15766 1 3 . 1 1 10 10 LYS N N 15 705.4 33.9 . . . . . 15766 1 4 . 1 1 12 12 SER N N 15 387.6 28.8 . . . . . 15766 1 5 . 1 1 15 15 SER N N 15 534.9 81.8 . . . . . 15766 1 6 . 1 1 16 16 GLY N N 15 597.1 148 . . . . . 15766 1 7 . 1 1 17 17 MET N N 15 439.8 31.7 . . . . . 15766 1 8 . 1 1 18 18 ASP N N 15 517.8 30.4 . . . . . 15766 1 9 . 1 1 20 20 ALA N N 15 511 46.3 . . . . . 15766 1 10 . 1 1 21 21 LEU N N 15 724.6 37.9 . . . . . 15766 1 11 . 1 1 26 26 ASP N N 15 550 15.4 . . . . . 15766 1 12 . 1 1 27 27 THR N N 15 779.6 15.7 . . . . . 15766 1 13 . 1 1 28 28 LEU N N 15 661.3 53.8 . . . . . 15766 1 14 . 1 1 30 30 GLY N N 15 912.9 29.4 . . . . . 15766 1 15 . 1 1 32 32 GLU N N 15 756.3 41 . . . . . 15766 1 16 . 1 1 34 34 THR N N 15 419 42.9 . . . . . 15766 1 17 . 1 1 35 35 GLU N N 15 417.3 27.5 . . . . . 15766 1 18 . 1 1 37 37 GLU N N 15 817.3 41 . . . . . 15766 1 19 . 1 1 38 38 ASN N N 15 654.5 21 . . . . . 15766 1 20 . 1 1 39 39 THR N N 15 472.1 41.8 . . . . . 15766 1 21 . 1 1 40 40 THR N N 15 542.8 45.1 . . . . . 15766 1 22 . 1 1 41 41 TYR N N 15 593.8 46.1 . . . . . 15766 1 23 . 1 1 42 42 THR N N 15 452.5 51.2 . . . . . 15766 1 24 . 1 1 45 45 GLU N N 15 1137 281 . . . . . 15766 1 25 . 1 1 47 47 SER N N 15 735.9 119 . . . . . 15766 1 26 . 1 1 48 48 ASP N N 15 494.1 70.9 . . . . . 15766 1 27 . 1 1 51 51 SER N N 15 441.4 44.4 . . . . . 15766 1 28 . 1 1 53 53 THR N N 15 414.1 30.3 . . . . . 15766 1 29 . 1 1 54 54 TYR N N 15 437.3 21.4 . . . . . 15766 1 30 . 1 1 55 55 ILE N N 15 611.6 27.8 . . . . . 15766 1 31 . 1 1 56 56 GLU N N 15 496.7 42 . . . . . 15766 1 32 . 1 1 58 58 LEU N N 15 448.6 18.6 . . . . . 15766 1 33 . 1 1 59 59 GLY N N 15 448.6 18.6 . . . . . 15766 1 34 . 1 1 60 60 LYS N N 15 448.6 18.6 . . . . . 15766 1 35 . 1 1 61 61 ARG N N 15 448.6 18.6 . . . . . 15766 1 36 . 1 1 63 63 VAL N N 15 456.9 48.2 . . . . . 15766 1 37 . 1 1 64 64 THR N N 15 667 135 . . . . . 15766 1 38 . 1 1 65 65 ILE N N 15 632.1 72.1 . . . . . 15766 1 39 . 1 1 68 68 LYS N N 15 391.6 56.9 . . . . . 15766 1 40 . 1 1 69 69 TYR N N 15 423.7 29.5 . . . . . 15766 1 41 . 1 1 71 71 GLU N N 15 609.7 60.6 . . . . . 15766 1 42 . 1 1 72 72 LEU N N 15 609.7 60.6 . . . . . 15766 1 43 . 1 1 73 73 LEU N N 15 609.7 60.6 . . . . . 15766 1 44 . 1 1 74 74 ALA N N 15 602 30.7 . . . . . 15766 1 45 . 1 1 75 75 LYS N N 15 606.7 37.6 . . . . . 15766 1 46 . 1 1 76 76 LYS N N 15 543.3 53.5 . . . . . 15766 1 47 . 1 1 77 77 GLU N N 15 437.5 20.3 . . . . . 15766 1 48 . 1 1 78 78 GLY N N 15 548.1 41.8 . . . . . 15766 1 49 . 1 1 79 79 ILE N N 15 656.5 49.4 . . . . . 15766 1 50 . 1 1 80 80 THR N N 15 599.2 99.6 . . . . . 15766 1 51 . 1 1 81 81 GLY N N 15 858.4 164 . . . . . 15766 1 52 . 1 1 84 84 ALA N N 15 518.1 52.1 . . . . . 15766 1 53 . 1 1 85 85 ASP N N 15 673.7 57.2 . . . . . 15766 1 54 . 1 1 88 88 LYS N N 15 705.6 96.6 . . . . . 15766 1 55 . 1 1 91 91 GLY N N 15 604.4 88.8 . . . . . 15766 1 56 . 1 1 93 93 ASP N N 15 664.6 76.3 . . . . . 15766 1 57 . 1 1 94 94 ASP N N 15 696.4 294 . . . . . 15766 1 58 . 1 1 95 95 ALA N N 15 762.8 57.6 . . . . . 15766 1 59 . 1 1 97 97 ASP N N 15 717.4 87.6 . . . . . 15766 1 60 . 1 1 100 100 SER N N 15 494.6 36.4 . . . . . 15766 1 61 . 1 1 101 101 SER N N 15 579.1 61.9 . . . . . 15766 1 62 . 1 1 102 102 ASP N N 15 598.3 19.6 . . . . . 15766 1 63 . 1 1 103 103 PHE N N 15 543.4 10.6 . . . . . 15766 1 64 . 1 1 104 104 THR N N 15 489.8 41.5 . . . . . 15766 1 65 . 1 1 107 107 SER N N 15 566 41 . . . . . 15766 1 66 . 1 1 109 109 THR N N 15 514.1 33.3 . . . . . 15766 1 67 . 1 1 110 110 ALA N N 15 554 97 . . . . . 15766 1 68 . 1 1 111 111 ALA N N 15 543 79.4 . . . . . 15766 1 69 . 1 1 112 112 GLY N N 15 606.5 118 . . . . . 15766 1 70 . 1 1 113 113 LYS N N 15 586.6 32.7 . . . . . 15766 1 71 . 1 1 115 115 THR N N 15 371.7 69.3 . . . . . 15766 1 72 . 1 1 116 116 GLU N N 15 471.7 37.5 . . . . . 15766 1 73 . 1 1 117 117 LYS N N 15 680.3 13.2 . . . . . 15766 1 74 . 1 1 118 118 GLU N N 15 527.9 17.6 . . . . . 15766 1 75 . 1 1 119 119 GLU N N 15 574.7 28.4 . . . . . 15766 1 76 . 1 1 120 120 SER N N 15 438.7 25.7 . . . . . 15766 1 77 . 1 1 121 121 THR N N 15 458.6 33.7 . . . . . 15766 1 78 . 1 1 122 122 GLU N N 15 579.8 33.6 . . . . . 15766 1 79 . 1 1 125 125 LYS N N 15 554.2 23.3 . . . . . 15766 1 80 . 1 1 128 128 SER N N 15 697.1 50.1 . . . . . 15766 1 81 . 1 1 129 129 ALA N N 15 393.1 52.6 . . . . . 15766 1 82 . 1 1 130 130 GLY N N 15 708 86.7 . . . . . 15766 1 83 . 1 1 131 131 THR N N 15 515.2 37.4 . . . . . 15766 1 84 . 1 1 132 132 VAL N N 15 582 81.5 . . . . . 15766 1 85 . 1 1 133 133 ARG N N 15 536.3 207 . . . . . 15766 1 86 . 1 1 134 134 SER N N 15 452.7 106 . . . . . 15766 1 87 . 1 1 135 135 ALA N N 15 635.3 181 . . . . . 15766 1 88 . 1 1 136 136 ALA N N 15 725.7 88.6 . . . . . 15766 1 89 . 1 1 140 140 GLU N N 15 778.9 169 . . . . . 15766 1 90 . 1 1 141 141 LYS N N 15 1386 265 . . . . . 15766 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15766 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 15766 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 5 5 GLU N N 15 478.10 29.00 . . . . . . . 15766 1 2 . 1 1 7 7 LYS N N 15 372.50 30.30 . . . . . . . 15766 1 3 . 1 1 10 10 LYS N N 15 441.10 9.83 . . . . . . . 15766 1 4 . 1 1 12 12 SER N N 15 261.40 16.30 . . . . . . . 15766 1 5 . 1 1 15 15 SER N N 15 211.70 45.60 . . . . . . . 15766 1 6 . 1 1 16 16 GLY N N 15 230.60 37.80 . . . . . . . 15766 1 7 . 1 1 17 17 MET N N 15 302.60 49.90 . . . . . . . 15766 1 8 . 1 1 18 18 ASP N N 15 363.50 33.20 . . . . . . . 15766 1 9 . 1 1 20 20 ALA N N 15 240.00 14.40 . . . . . . . 15766 1 10 . 1 1 21 21 LEU N N 15 451.60 7.71 . . . . . . . 15766 1 11 . 1 1 26 26 ASP N N 15 373.10 13.20 . . . . . . . 15766 1 12 . 1 1 27 27 THR N N 15 430.20 17.90 . . . . . . . 15766 1 13 . 1 1 28 28 LEU N N 15 450.30 6.73 . . . . . . . 15766 1 14 . 1 1 30 30 GLY N N 15 532.60 25.10 . . . . . . . 15766 1 15 . 1 1 32 32 GLU N N 15 444.40 9.64 . . . . . . . 15766 1 16 . 1 1 34 34 THR N N 15 412.10 19.40 . . . . . . . 15766 1 17 . 1 1 35 35 GLU N N 15 461.90 20.00 . . . . . . . 15766 1 18 . 1 1 37 37 GLU N N 15 310.20 12.90 . . . . . . . 15766 1 19 . 1 1 38 38 ASN N N 15 341.80 12.40 . . . . . . . 15766 1 20 . 1 1 39 39 THR N N 15 316.30 24.20 . . . . . . . 15766 1 21 . 1 1 40 40 THR N N 15 308.40 18.60 . . . . . . . 15766 1 22 . 1 1 41 41 TYR N N 15 322.60 5.43 . . . . . . . 15766 1 23 . 1 1 42 42 THR N N 15 283.70 18.80 . . . . . . . 15766 1 24 . 1 1 45 45 GLU N N 15 348.20 8.66 . . . . . . . 15766 1 25 . 1 1 47 47 SER N N 15 249.30 24.10 . . . . . . . 15766 1 26 . 1 1 48 48 ASP N N 15 284.50 12.30 . . . . . . . 15766 1 27 . 1 1 51 51 SER N N 15 245.00 15.40 . . . . . . . 15766 1 28 . 1 1 53 53 THR N N 15 216.30 22.90 . . . . . . . 15766 1 29 . 1 1 54 54 TYR N N 15 243.70 7.32 . . . . . . . 15766 1 30 . 1 1 55 55 ILE N N 15 256.60 6.70 . . . . . . . 15766 1 31 . 1 1 56 56 GLU N N 15 266.20 10.50 . . . . . . . 15766 1 32 . 1 1 58 58 LEU N N 15 264.40 4.49 . . . . . . . 15766 1 33 . 1 1 59 59 GLY N N 15 243.10 10.90 . . . . . . . 15766 1 34 . 1 1 60 60 LYS N N 15 256.50 5.86 . . . . . . . 15766 1 35 . 1 1 61 61 ARG N N 15 246.00 8.84 . . . . . . . 15766 1 36 . 1 1 63 63 VAL N N 15 268.80 12.60 . . . . . . . 15766 1 37 . 1 1 64 64 THR N N 15 227.10 14.20 . . . . . . . 15766 1 38 . 1 1 65 65 ILE N N 15 247.10 9.58 . . . . . . . 15766 1 39 . 1 1 68 68 LYS N N 15 192.10 9.36 . . . . . . . 15766 1 40 . 1 1 69 69 TYR N N 15 182.60 9.87 . . . . . . . 15766 1 41 . 1 1 71 71 GLU N N 15 200.00 12.30 . . . . . . . 15766 1 42 . 1 1 72 72 LEU N N 15 203.20 5.11 . . . . . . . 15766 1 43 . 1 1 73 73 LEU N N 15 244.90 4.81 . . . . . . . 15766 1 44 . 1 1 74 74 ALA N N 15 242.60 9.03 . . . . . . . 15766 1 45 . 1 1 75 75 LYS N N 15 253.60 9.41 . . . . . . . 15766 1 46 . 1 1 76 76 LYS N N 15 269.80 9.89 . . . . . . . 15766 1 47 . 1 1 77 77 GLU N N 15 362.30 19.00 . . . . . . . 15766 1 48 . 1 1 78 78 GLY N N 15 269.30 10.40 . . . . . . . 15766 1 49 . 1 1 79 79 ILE N N 15 358.80 6.97 . . . . . . . 15766 1 50 . 1 1 80 80 THR N N 15 281.20 23.00 . . . . . . . 15766 1 51 . 1 1 81 81 GLY N N 15 330.00 21.80 . . . . . . . 15766 1 52 . 1 1 84 84 ALA N N 15 340.80 30.40 . . . . . . . 15766 1 53 . 1 1 85 85 ASP N N 15 309.20 21.50 . . . . . . . 15766 1 54 . 1 1 88 88 LYS N N 15 325.20 20.00 . . . . . . . 15766 1 55 . 1 1 91 91 GLY N N 15 399.90 2.89 . . . . . . . 15766 1 56 . 1 1 93 93 ASP N N 15 339.10 7.63 . . . . . . . 15766 1 57 . 1 1 94 94 ASP N N 15 385.50 9.00 . . . . . . . 15766 1 58 . 1 1 95 95 ALA N N 15 385.00 7.82 . . . . . . . 15766 1 59 . 1 1 97 97 ASP N N 15 336.80 4.94 . . . . . . . 15766 1 60 . 1 1 100 100 SER N N 15 271.30 23.70 . . . . . . . 15766 1 61 . 1 1 101 101 SER N N 15 204.50 13.60 . . . . . . . 15766 1 62 . 1 1 102 102 ASP N N 15 226.90 7.09 . . . . . . . 15766 1 63 . 1 1 103 103 PHE N N 15 237.70 4.88 . . . . . . . 15766 1 64 . 1 1 104 104 THR N N 15 198.90 5.76 . . . . . . . 15766 1 65 . 1 1 107 107 SER N N 15 204.60 4.36 . . . . . . . 15766 1 66 . 1 1 109 109 THR N N 15 238.60 21.20 . . . . . . . 15766 1 67 . 1 1 110 110 ALA N N 15 231.80 20.40 . . . . . . . 15766 1 68 . 1 1 111 111 ALA N N 15 312.50 9.63 . . . . . . . 15766 1 69 . 1 1 112 112 GLY N N 15 279.50 45.70 . . . . . . . 15766 1 70 . 1 1 113 113 LYS N N 15 315.80 38.90 . . . . . . . 15766 1 71 . 1 1 115 115 THR N N 15 249.90 37.70 . . . . . . . 15766 1 72 . 1 1 116 116 GLU N N 15 257.40 13.50 . . . . . . . 15766 1 73 . 1 1 117 117 LYS N N 15 245.30 8.20 . . . . . . . 15766 1 74 . 1 1 118 118 GLU N N 15 242.00 30.10 . . . . . . . 15766 1 75 . 1 1 119 119 GLU N N 15 213.50 7.80 . . . . . . . 15766 1 76 . 1 1 120 120 SER N N 15 256.90 27.40 . . . . . . . 15766 1 77 . 1 1 121 121 THR N N 15 239.50 17.00 . . . . . . . 15766 1 78 . 1 1 122 122 GLU N N 15 269.30 16.40 . . . . . . . 15766 1 79 . 1 1 125 125 LYS N N 15 301.40 11.20 . . . . . . . 15766 1 80 . 1 1 128 128 SER N N 15 207.80 46.10 . . . . . . . 15766 1 81 . 1 1 129 129 ALA N N 15 207.60 36.40 . . . . . . . 15766 1 82 . 1 1 130 130 GLY N N 15 221.30 23.10 . . . . . . . 15766 1 83 . 1 1 131 131 THR N N 15 267.90 55.40 . . . . . . . 15766 1 84 . 1 1 132 132 VAL N N 15 351.90 23.70 . . . . . . . 15766 1 85 . 1 1 133 133 ARG N N 15 289.80 32.00 . . . . . . . 15766 1 86 . 1 1 134 134 SER N N 15 191.60 6.80 . . . . . . . 15766 1 87 . 1 1 135 135 ALA N N 15 262.30 25.60 . . . . . . . 15766 1 88 . 1 1 136 136 ALA N N 15 471.50 11.20 . . . . . . . 15766 1 89 . 1 1 140 140 GLU N N 15 890.00 12.50 . . . . . . . 15766 1 90 . 1 1 141 141 LYS N N 15 1145.00 61.00 . . . . . . . 15766 1 stop_ save_