data_2024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2024 _Entry.Title ; Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Heald . L. . 2024 2 Robert Tilton . F. Jr 2024 3 Lisa Hammond . J. . 2024 4 Alice Lee . . . 2024 5 Richard Bayney . M. . 2024 6 Michael Kamarck . E. . 2024 7 Triprayar Ramabhadran . V. . 2024 8 Robert Dreyer . N. . 2024 9 Gary Davis . . . 2024 10 Axel Unterbeck . . . 2024 11 Paul Tamburini . P. . 2024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 397 2024 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 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2024 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2024 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2024 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Heald, S.L., Tilton, Robert F. Jr., Hammond, Lisa J., Lee, Alice, Bayney, Richard M., Kamarck, Michael E., Ramabhadran, Triprayar V., Dreyer, Robert N., Davis, Gary, Unterbeck, Axel, Tamburini, Paul P., "Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein," Biochemistry 30 (43), 10467-10478 (1991). ; _Citation.Title ; Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 43 _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 10467 _Citation.Page_last 10478 _Citation.Year 1991 _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 S. Heald . L. . 2024 1 2 Robert Tilton . F. Jr 2024 1 3 Lisa Hammond . J. . 2024 1 4 Alice Lee . . . 2024 1 5 Richard Bayney . M. . 2024 1 6 Michael Kamarck . E. . 2024 1 7 Triprayar Ramabhadran . V. . 2024 1 8 Robert Dreyer . N. . 2024 1 9 Gary Davis . . . 2024 1 10 Axel Unterbeck . . . 2024 1 11 Paul Tamburini . P. . 2024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_beta-amyloid_precursor_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_beta-amyloid_precursor_protein _Assembly.Entry_ID 2024 _Assembly.ID 1 _Assembly.Name 'beta-amyloid precursor protein' _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 . _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 'beta-amyloid precursor protein' 1 $beta-amyloid_precursor_protein . . . . . . . . . 2024 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'beta-amyloid precursor protein' system 2024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-amyloid_precursor_protein _Entity.Sf_category entity _Entity.Sf_framecode beta-amyloid_precursor_protein _Entity.Entry_ID 2024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'beta-amyloid precursor protein' _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 ; ANSMEVCSEQAETGPCRAMI SRWYFDVTEGKCAPFFYGGC GGNRNNFDTEEYCMAVCGSA KLGSGLD ; _Entity.Polymer_seq_one_letter_code ; ANSMEVCSEQAETGPCRAMI SRWYFDVTEGKCAPFFYGGC GGNRNNFDTEEYCMAVCGSA KLGSGLD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AAP . "X-Ray Crystal Structure Of The Protease Inhibitor Domain Of Alzheimer's Amyloid Beta-Protein Precursor" . . . . . 83.58 58 100.00 100.00 9.66e-33 . . . . 2024 1 2 no PDB 1BRC . "Relocating A Negative Charge In The Binding Pocket Of Trypsin" . . . . . 80.60 56 100.00 100.00 1.73e-31 . . . . 2024 1 3 no PDB 1CA0 . "Bovine Chymotrypsin Complexed To Appi" . . . . . 80.60 54 100.00 100.00 1.98e-31 . . . . 2024 1 4 no PDB 1TAW . "Bovine Trypsin Complexed To Appi" . . . . . 83.58 58 100.00 100.00 9.66e-33 . . . . 2024 1 5 no PDB 1ZJD . "Crystal Structure Of The Catalytic Domain Of Coagulation Factor Xi In Complex With Kunitz Protease Inhibitor Domain Of Protease" . . . . . 83.58 57 100.00 100.00 8.93e-33 . . . . 2024 1 6 no PDB 3L33 . "Human Mesotrypsin Complexed With Amyloid Precursor Protein Inhibitor(Appi)" . . . . . 77.61 52 100.00 100.00 4.71e-30 . . . . 2024 1 7 no PDB 3L3T . "Human Mesotrypsin Complexed With Amyloid Precursor Protein Inhibitor Variant (Appir15k)" . . . . . 83.58 57 98.21 100.00 2.35e-32 . . . . 2024 1 8 no DBJ BAA22264 . "amyloid precursor protein [Homo sapiens]" . . . . . 83.58 770 100.00 100.00 1.47e-34 . . . . 2024 1 9 no DBJ BAA84580 . "amyloid precursor protein [Sus scrofa]" . . . . . 82.09 770 100.00 100.00 3.85e-34 . . . . 2024 1 10 no DBJ BAD51938 . "amyloid beta A4 precursor protein [Macaca fascicularis]" . . . . . 82.09 696 100.00 100.00 1.50e-33 . . . . 2024 1 11 no DBJ BAE01907 . "unnamed protein product [Macaca fascicularis]" . . . . . 82.09 751 100.00 100.00 7.06e-34 . . . . 2024 1 12 no DBJ BAE87853 . "unnamed protein product [Macaca fascicularis]" . . . . . 83.58 393 98.21 98.21 1.98e-31 . . . . 2024 1 13 no EMBL CAA30042 . "amyloid beta-protein [Homo sapiens]" . . . . . 83.58 62 100.00 100.00 7.84e-33 . . . . 2024 1 14 no EMBL CAA30050 . "amyloid A4 protein [Homo sapiens]" . . . . . 83.58 751 100.00 100.00 1.85e-34 . . . . 2024 1 15 no EMBL CAA34116 . "amyloid precursor protein (76 AA) [Macaca mulatta]" . . . . . 83.58 76 98.21 98.21 7.02e-33 . . . . 2024 1 16 no GB AAA36828 . "amyloid b-protein precursor, partial [Macaca fascicularis]" . . . . . 83.58 87 98.21 98.21 3.11e-33 . . . . 2024 1 17 no GB AAA58727 . "amyloid precursor protein, partial [Homo sapiens]" . . . . . 83.58 484 100.00 100.00 7.47e-34 . . . . 2024 1 18 no GB AAB59501 . "amyloid-beta protein [Homo sapiens]" . . . . . 83.58 547 100.00 100.00 5.28e-34 . . . . 2024 1 19 no GB AAB59502 . "amyloid-beta protein [Homo sapiens]" . . . . . 83.58 770 100.00 100.00 1.47e-34 . . . . 2024 1 20 no GB AAD14347 . "beta-amyloid precursor protein/beta PP [Saimiri sciureus]" . . . . . 82.09 751 100.00 100.00 5.24e-34 . . . . 2024 1 21 no PRF 1403400A . "amyloid protein A4" . . . . . 83.58 751 100.00 100.00 1.85e-34 . . . . 2024 1 22 no REF NP_000475 . "amyloid beta A4 protein isoform a precursor [Homo sapiens]" . . . . . 83.58 770 100.00 100.00 1.47e-34 . . . . 2024 1 23 no REF NP_001006601 . "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" . . . . . 82.09 770 100.00 100.00 3.63e-34 . . . . 2024 1 24 no REF NP_001013036 . "amyloid beta A4 protein precursor [Pan troglodytes]" . . . . . 82.09 770 100.00 100.00 5.39e-34 . . . . 2024 1 25 no REF NP_001129488 . "amyloid beta A4 protein isoform d [Homo sapiens]" . . . . . 83.58 746 100.00 100.00 1.80e-34 . . . . 2024 1 26 no REF NP_001129602 . "amyloid beta A4 protein isoform f precursor [Homo sapiens]" . . . . . 83.58 714 100.00 100.00 4.32e-35 . . . . 2024 1 27 no SP P05067 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" . . . . . 83.58 770 100.00 100.00 1.47e-34 . . . . 2024 1 28 no SP P08592 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 82.09 770 100.00 100.00 4.98e-34 . . . . 2024 1 29 no SP P29216 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 83.58 76 98.21 98.21 7.02e-33 . . . . 2024 1 30 no SP P53601 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 82.09 770 100.00 100.00 5.39e-34 . . . . 2024 1 31 no SP P79307 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 82.09 770 100.00 100.00 3.85e-34 . . . . 2024 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'beta-amyloid precursor protein' common 2024 1 'Kunitz-type inhibitor domain' variant 2024 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 . 2024 1 2 . ASN . 2024 1 3 . SER . 2024 1 4 . MET . 2024 1 5 . GLU . 2024 1 6 . VAL . 2024 1 7 . CYS . 2024 1 8 . SER . 2024 1 9 . GLU . 2024 1 10 . GLN . 2024 1 11 . ALA . 2024 1 12 . GLU . 2024 1 13 . THR . 2024 1 14 . GLY . 2024 1 15 . PRO . 2024 1 16 . CYS . 2024 1 17 . ARG . 2024 1 18 . ALA . 2024 1 19 . MET . 2024 1 20 . ILE . 2024 1 21 . SER . 2024 1 22 . ARG . 2024 1 23 . TRP . 2024 1 24 . TYR . 2024 1 25 . PHE . 2024 1 26 . ASP . 2024 1 27 . VAL . 2024 1 28 . THR . 2024 1 29 . GLU . 2024 1 30 . GLY . 2024 1 31 . LYS . 2024 1 32 . CYS . 2024 1 33 . ALA . 2024 1 34 . PRO . 2024 1 35 . PHE . 2024 1 36 . PHE . 2024 1 37 . TYR . 2024 1 38 . GLY . 2024 1 39 . GLY . 2024 1 40 . CYS . 2024 1 41 . GLY . 2024 1 42 . GLY . 2024 1 43 . ASN . 2024 1 44 . ARG . 2024 1 45 . ASN . 2024 1 46 . ASN . 2024 1 47 . PHE . 2024 1 48 . ASP . 2024 1 49 . THR . 2024 1 50 . GLU . 2024 1 51 . GLU . 2024 1 52 . TYR . 2024 1 53 . CYS . 2024 1 54 . MET . 2024 1 55 . ALA . 2024 1 56 . VAL . 2024 1 57 . CYS . 2024 1 58 . GLY . 2024 1 59 . SER . 2024 1 60 . ALA . 2024 1 61 . LYS . 2024 1 62 . LEU . 2024 1 63 . GLY . 2024 1 64 . SER . 2024 1 65 . GLY . 2024 1 66 . LEU . 2024 1 67 . ASP . 2024 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 2024 1 . ASN 2 2 2024 1 . SER 3 3 2024 1 . MET 4 4 2024 1 . GLU 5 5 2024 1 . VAL 6 6 2024 1 . CYS 7 7 2024 1 . SER 8 8 2024 1 . GLU 9 9 2024 1 . GLN 10 10 2024 1 . ALA 11 11 2024 1 . GLU 12 12 2024 1 . THR 13 13 2024 1 . GLY 14 14 2024 1 . PRO 15 15 2024 1 . CYS 16 16 2024 1 . ARG 17 17 2024 1 . ALA 18 18 2024 1 . MET 19 19 2024 1 . ILE 20 20 2024 1 . SER 21 21 2024 1 . ARG 22 22 2024 1 . TRP 23 23 2024 1 . TYR 24 24 2024 1 . PHE 25 25 2024 1 . ASP 26 26 2024 1 . VAL 27 27 2024 1 . THR 28 28 2024 1 . GLU 29 29 2024 1 . GLY 30 30 2024 1 . LYS 31 31 2024 1 . CYS 32 32 2024 1 . ALA 33 33 2024 1 . PRO 34 34 2024 1 . PHE 35 35 2024 1 . PHE 36 36 2024 1 . TYR 37 37 2024 1 . GLY 38 38 2024 1 . GLY 39 39 2024 1 . CYS 40 40 2024 1 . GLY 41 41 2024 1 . GLY 42 42 2024 1 . ASN 43 43 2024 1 . ARG 44 44 2024 1 . ASN 45 45 2024 1 . ASN 46 46 2024 1 . PHE 47 47 2024 1 . ASP 48 48 2024 1 . THR 49 49 2024 1 . GLU 50 50 2024 1 . GLU 51 51 2024 1 . TYR 52 52 2024 1 . CYS 53 53 2024 1 . MET 54 54 2024 1 . ALA 55 55 2024 1 . VAL 56 56 2024 1 . CYS 57 57 2024 1 . GLY 58 58 2024 1 . SER 59 59 2024 1 . ALA 60 60 2024 1 . LYS 61 61 2024 1 . LEU 62 62 2024 1 . GLY 63 63 2024 1 . SER 64 64 2024 1 . GLY 65 65 2024 1 . LEU 66 66 2024 1 . ASP 67 67 2024 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 2024 _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 $beta-amyloid_precursor_protein . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 2024 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 2024 _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 $beta-amyloid_precursor_protein . 'not available' . 'E. coli' . . . . pIN-III-ompA1 . . . . . . . . . . . . plasmid . . . . . . . . . 2024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2024 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . na 2024 1 temperature 298 . K 2024 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2024 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2024 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 2024 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2024 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2024 _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 H . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2024 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 2024 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 HA H 1 4.14 . . 1 . . . . . . . . 2024 1 2 . 1 1 1 1 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 2024 1 3 . 1 1 1 1 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 2024 1 4 . 1 1 1 1 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 2024 1 5 . 1 1 2 2 ASN H H 1 7.87 . . 1 . . . . . . . . 2024 1 6 . 1 1 2 2 ASN HA H 1 4.17 . . 1 . . . . . . . . 2024 1 7 . 1 1 2 2 ASN HB2 H 1 3.83 . . 1 . . . . . . . . 2024 1 8 . 1 1 2 2 ASN HB3 H 1 3.83 . . 1 . . . . . . . . 2024 1 9 . 1 1 2 2 ASN HD21 H 1 7.67 . . 2 . . . . . . . . 2024 1 10 . 1 1 2 2 ASN HD22 H 1 7 . . 2 . . . . . . . . 2024 1 11 . 1 1 3 3 SER H H 1 8.65 . . 1 . . . . . . . . 2024 1 12 . 1 1 3 3 SER HA H 1 4.39 . . 1 . . . . . . . . 2024 1 13 . 1 1 3 3 SER HB2 H 1 3.97 . . 2 . . . . . . . . 2024 1 14 . 1 1 3 3 SER HB3 H 1 3.95 . . 2 . . . . . . . . 2024 1 15 . 1 1 4 4 MET H H 1 8.46 . . 1 . . . . . . . . 2024 1 16 . 1 1 4 4 MET HA H 1 4.37 . . 1 . . . . . . . . 2024 1 17 . 1 1 4 4 MET HB2 H 1 2.11 . . 2 . . . . . . . . 2024 1 18 . 1 1 4 4 MET HB3 H 1 2.09 . . 2 . . . . . . . . 2024 1 19 . 1 1 4 4 MET HG2 H 1 2.58 . . 2 . . . . . . . . 2024 1 20 . 1 1 4 4 MET HG3 H 1 2.63 . . 2 . . . . . . . . 2024 1 21 . 1 1 4 4 MET HE1 H 1 2.07 . . 1 . . . . . . . . 2024 1 22 . 1 1 4 4 MET HE2 H 1 2.07 . . 1 . . . . . . . . 2024 1 23 . 1 1 4 4 MET HE3 H 1 2.07 . . 1 . . . . . . . . 2024 1 24 . 1 1 5 5 GLU H H 1 8.4 . . 1 . . . . . . . . 2024 1 25 . 1 1 5 5 GLU HA H 1 4.15 . . 1 . . . . . . . . 2024 1 26 . 1 1 5 5 GLU HB2 H 1 2.1 . . 2 . . . . . . . . 2024 1 27 . 1 1 5 5 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 2024 1 28 . 1 1 5 5 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 2024 1 29 . 1 1 5 5 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 2024 1 30 . 1 1 6 6 VAL H H 1 7.77 . . 1 . . . . . . . . 2024 1 31 . 1 1 6 6 VAL HA H 1 3.81 . . 1 . . . . . . . . 2024 1 32 . 1 1 6 6 VAL HB H 1 2.11 . . 1 . . . . . . . . 2024 1 33 . 1 1 6 6 VAL HG11 H 1 .99 . . 2 . . . . . . . . 2024 1 34 . 1 1 6 6 VAL HG12 H 1 .99 . . 2 . . . . . . . . 2024 1 35 . 1 1 6 6 VAL HG13 H 1 .99 . . 2 . . . . . . . . 2024 1 36 . 1 1 6 6 VAL HG21 H 1 .91 . . 2 . . . . . . . . 2024 1 37 . 1 1 6 6 VAL HG22 H 1 .91 . . 2 . . . . . . . . 2024 1 38 . 1 1 6 6 VAL HG23 H 1 .91 . . 2 . . . . . . . . 2024 1 39 . 1 1 7 7 CYS H H 1 7.75 . . 1 . . . . . . . . 2024 1 40 . 1 1 7 7 CYS HA H 1 4.42 . . 1 . . . . . . . . 2024 1 41 . 1 1 7 7 CYS HB2 H 1 2.96 . . 2 . . . . . . . . 2024 1 42 . 1 1 7 7 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 2024 1 43 . 1 1 8 8 SER H H 1 7.45 . . 1 . . . . . . . . 2024 1 44 . 1 1 8 8 SER HA H 1 4.69 . . 1 . . . . . . . . 2024 1 45 . 1 1 8 8 SER HB2 H 1 4.06 . . 2 . . . . . . . . 2024 1 46 . 1 1 8 8 SER HB3 H 1 3.95 . . 2 . . . . . . . . 2024 1 47 . 1 1 9 9 GLU H H 1 7.59 . . 1 . . . . . . . . 2024 1 48 . 1 1 9 9 GLU HA H 1 4.31 . . 1 . . . . . . . . 2024 1 49 . 1 1 9 9 GLU HB2 H 1 2.31 . . 2 . . . . . . . . 2024 1 50 . 1 1 9 9 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 2024 1 51 . 1 1 9 9 GLU HG2 H 1 2.65 . . 1 . . . . . . . . 2024 1 52 . 1 1 9 9 GLU HG3 H 1 2.65 . . 1 . . . . . . . . 2024 1 53 . 1 1 10 10 GLN H H 1 8.68 . . 1 . . . . . . . . 2024 1 54 . 1 1 10 10 GLN HA H 1 4.21 . . 1 . . . . . . . . 2024 1 55 . 1 1 10 10 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 2024 1 56 . 1 1 10 10 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 2024 1 57 . 1 1 10 10 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 2024 1 58 . 1 1 10 10 GLN HG3 H 1 2.43 . . 2 . . . . . . . . 2024 1 59 . 1 1 10 10 GLN HE21 H 1 7.7 . . 2 . . . . . . . . 2024 1 60 . 1 1 10 10 GLN HE22 H 1 6.89 . . 2 . . . . . . . . 2024 1 61 . 1 1 11 11 ALA H H 1 7.65 . . 1 . . . . . . . . 2024 1 62 . 1 1 11 11 ALA HA H 1 3.67 . . 1 . . . . . . . . 2024 1 63 . 1 1 11 11 ALA HB1 H 1 -.39 . . 1 . . . . . . . . 2024 1 64 . 1 1 11 11 ALA HB2 H 1 -.39 . . 1 . . . . . . . . 2024 1 65 . 1 1 11 11 ALA HB3 H 1 -.39 . . 1 . . . . . . . . 2024 1 66 . 1 1 12 12 GLU H H 1 7.78 . . 1 . . . . . . . . 2024 1 67 . 1 1 12 12 GLU HA H 1 4.8 . . 1 . . . . . . . . 2024 1 68 . 1 1 12 12 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 2024 1 69 . 1 1 12 12 GLU HB3 H 1 1.8 . . 2 . . . . . . . . 2024 1 70 . 1 1 12 12 GLU HG2 H 1 2.13 . . 1 . . . . . . . . 2024 1 71 . 1 1 12 12 GLU HG3 H 1 2.13 . . 1 . . . . . . . . 2024 1 72 . 1 1 13 13 THR H H 1 9.16 . . 1 . . . . . . . . 2024 1 73 . 1 1 13 13 THR HA H 1 4.59 . . 1 . . . . . . . . 2024 1 74 . 1 1 13 13 THR HB H 1 4.33 . . 1 . . . . . . . . 2024 1 75 . 1 1 13 13 THR HG21 H 1 1.54 . . 1 . . . . . . . . 2024 1 76 . 1 1 13 13 THR HG22 H 1 1.54 . . 1 . . . . . . . . 2024 1 77 . 1 1 13 13 THR HG23 H 1 1.54 . . 1 . . . . . . . . 2024 1 78 . 1 1 14 14 GLY H H 1 9.19 . . 1 . . . . . . . . 2024 1 79 . 1 1 14 14 GLY HA2 H 1 4.44 . . 2 . . . . . . . . 2024 1 80 . 1 1 14 14 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 2024 1 81 . 1 1 15 15 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 2024 1 82 . 1 1 15 15 PRO HG3 H 1 1.98 . . 1 . . . . . . . . 2024 1 83 . 1 1 15 15 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 2024 1 84 . 1 1 15 15 PRO HD3 H 1 3.62 . . 2 . . . . . . . . 2024 1 85 . 1 1 16 16 CYS H H 1 9.22 . . 1 . . . . . . . . 2024 1 86 . 1 1 16 16 CYS HA H 1 4.61 . . 1 . . . . . . . . 2024 1 87 . 1 1 16 16 CYS HB2 H 1 3.31 . . 2 . . . . . . . . 2024 1 88 . 1 1 16 16 CYS HB3 H 1 2.88 . . 2 . . . . . . . . 2024 1 89 . 1 1 17 17 ARG H H 1 8.23 . . 1 . . . . . . . . 2024 1 90 . 1 1 17 17 ARG HA H 1 4.58 . . 1 . . . . . . . . 2024 1 91 . 1 1 17 17 ARG HB2 H 1 1.57 . . 2 . . . . . . . . 2024 1 92 . 1 1 17 17 ARG HB3 H 1 1.53 . . 2 . . . . . . . . 2024 1 93 . 1 1 17 17 ARG HG2 H 1 1.6 . . 2 . . . . . . . . 2024 1 94 . 1 1 17 17 ARG HG3 H 1 1.17 . . 2 . . . . . . . . 2024 1 95 . 1 1 17 17 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 2024 1 96 . 1 1 17 17 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 2024 1 97 . 1 1 17 17 ARG HE H 1 7.14 . . 1 . . . . . . . . 2024 1 98 . 1 1 18 18 ALA H H 1 8.2 . . 1 . . . . . . . . 2024 1 99 . 1 1 18 18 ALA HA H 1 4.38 . . 1 . . . . . . . . 2024 1 100 . 1 1 18 18 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 2024 1 101 . 1 1 18 18 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 2024 1 102 . 1 1 18 18 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 2024 1 103 . 1 1 19 19 MET H H 1 7.91 . . 1 . . . . . . . . 2024 1 104 . 1 1 19 19 MET HA H 1 4.39 . . 1 . . . . . . . . 2024 1 105 . 1 1 19 19 MET HB2 H 1 1.77 . . 2 . . . . . . . . 2024 1 106 . 1 1 19 19 MET HB3 H 1 1.5 . . 2 . . . . . . . . 2024 1 107 . 1 1 19 19 MET HG2 H 1 2.27 . . 2 . . . . . . . . 2024 1 108 . 1 1 19 19 MET HG3 H 1 2.15 . . 2 . . . . . . . . 2024 1 109 . 1 1 19 19 MET HE1 H 1 1.62 . . 1 . . . . . . . . 2024 1 110 . 1 1 19 19 MET HE2 H 1 1.62 . . 1 . . . . . . . . 2024 1 111 . 1 1 19 19 MET HE3 H 1 1.62 . . 1 . . . . . . . . 2024 1 112 . 1 1 20 20 ILE H H 1 8.81 . . 1 . . . . . . . . 2024 1 113 . 1 1 20 20 ILE HA H 1 4.37 . . 1 . . . . . . . . 2024 1 114 . 1 1 20 20 ILE HB H 1 1.94 . . 1 . . . . . . . . 2024 1 115 . 1 1 20 20 ILE HG12 H 1 1.54 . . 2 . . . . . . . . 2024 1 116 . 1 1 20 20 ILE HG13 H 1 1.12 . . 2 . . . . . . . . 2024 1 117 . 1 1 20 20 ILE HG21 H 1 1.03 . . 1 . . . . . . . . 2024 1 118 . 1 1 20 20 ILE HG22 H 1 1.03 . . 1 . . . . . . . . 2024 1 119 . 1 1 20 20 ILE HG23 H 1 1.03 . . 1 . . . . . . . . 2024 1 120 . 1 1 20 20 ILE HD11 H 1 .86 . . 1 . . . . . . . . 2024 1 121 . 1 1 20 20 ILE HD12 H 1 .86 . . 1 . . . . . . . . 2024 1 122 . 1 1 20 20 ILE HD13 H 1 .86 . . 1 . . . . . . . . 2024 1 123 . 1 1 21 21 SER H H 1 8.94 . . 1 . . . . . . . . 2024 1 124 . 1 1 21 21 SER HA H 1 4.24 . . 1 . . . . . . . . 2024 1 125 . 1 1 21 21 SER HB2 H 1 3.88 . . 2 . . . . . . . . 2024 1 126 . 1 1 21 21 SER HB3 H 1 3.75 . . 2 . . . . . . . . 2024 1 127 . 1 1 22 22 ARG H H 1 8.57 . . 1 . . . . . . . . 2024 1 128 . 1 1 22 22 ARG HA H 1 4.85 . . 1 . . . . . . . . 2024 1 129 . 1 1 22 22 ARG HB2 H 1 1.95 . . 2 . . . . . . . . 2024 1 130 . 1 1 22 22 ARG HB3 H 1 .84 . . 2 . . . . . . . . 2024 1 131 . 1 1 22 22 ARG HG2 H 1 1.53 . . 2 . . . . . . . . 2024 1 132 . 1 1 22 22 ARG HG3 H 1 1.44 . . 2 . . . . . . . . 2024 1 133 . 1 1 22 22 ARG HD2 H 1 3.41 . . 2 . . . . . . . . 2024 1 134 . 1 1 22 22 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 2024 1 135 . 1 1 22 22 ARG HE H 1 7.49 . . 1 . . . . . . . . 2024 1 136 . 1 1 23 23 TRP H H 1 9.16 . . 1 . . . . . . . . 2024 1 137 . 1 1 23 23 TRP HA H 1 5.54 . . 1 . . . . . . . . 2024 1 138 . 1 1 23 23 TRP HB2 H 1 3.1 . . 2 . . . . . . . . 2024 1 139 . 1 1 23 23 TRP HB3 H 1 2.82 . . 2 . . . . . . . . 2024 1 140 . 1 1 23 23 TRP HD1 H 1 6.81 . . 1 . . . . . . . . 2024 1 141 . 1 1 23 23 TRP HE1 H 1 10.03 . . 1 . . . . . . . . 2024 1 142 . 1 1 23 23 TRP HE3 H 1 7.05 . . 1 . . . . . . . . 2024 1 143 . 1 1 23 23 TRP HZ2 H 1 7.5 . . 1 . . . . . . . . 2024 1 144 . 1 1 23 23 TRP HZ3 H 1 6.92 . . 1 . . . . . . . . 2024 1 145 . 1 1 23 23 TRP HH2 H 1 7.17 . . 1 . . . . . . . . 2024 1 146 . 1 1 24 24 TYR H H 1 9.84 . . 1 . . . . . . . . 2024 1 147 . 1 1 24 24 TYR HA H 1 5.3 . . 1 . . . . . . . . 2024 1 148 . 1 1 24 24 TYR HB2 H 1 2.72 . . 1 . . . . . . . . 2024 1 149 . 1 1 24 24 TYR HB3 H 1 2.72 . . 1 . . . . . . . . 2024 1 150 . 1 1 24 24 TYR HD1 H 1 6.97 . . 1 . . . . . . . . 2024 1 151 . 1 1 24 24 TYR HD2 H 1 6.97 . . 1 . . . . . . . . 2024 1 152 . 1 1 24 24 TYR HE1 H 1 6.61 . . 1 . . . . . . . . 2024 1 153 . 1 1 24 24 TYR HE2 H 1 6.61 . . 1 . . . . . . . . 2024 1 154 . 1 1 25 25 PHE H H 1 10.7 . . 1 . . . . . . . . 2024 1 155 . 1 1 25 25 PHE HA H 1 4.36 . . 1 . . . . . . . . 2024 1 156 . 1 1 25 25 PHE HB2 H 1 3.54 . . 2 . . . . . . . . 2024 1 157 . 1 1 25 25 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 2024 1 158 . 1 1 25 25 PHE HD1 H 1 7.4 . . 1 . . . . . . . . 2024 1 159 . 1 1 25 25 PHE HD2 H 1 7.4 . . 1 . . . . . . . . 2024 1 160 . 1 1 25 25 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 2024 1 161 . 1 1 25 25 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 2024 1 162 . 1 1 25 25 PHE HZ H 1 7.08 . . 1 . . . . . . . . 2024 1 163 . 1 1 26 26 ASP H H 1 7.76 . . 1 . . . . . . . . 2024 1 164 . 1 1 26 26 ASP HA H 1 4.63 . . 1 . . . . . . . . 2024 1 165 . 1 1 26 26 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 2024 1 166 . 1 1 26 26 ASP HB3 H 1 2.02 . . 2 . . . . . . . . 2024 1 167 . 1 1 27 27 VAL H H 1 8.27 . . 1 . . . . . . . . 2024 1 168 . 1 1 27 27 VAL HA H 1 3.77 . . 1 . . . . . . . . 2024 1 169 . 1 1 27 27 VAL HB H 1 2.33 . . 1 . . . . . . . . 2024 1 170 . 1 1 27 27 VAL HG11 H 1 1.2 . . 2 . . . . . . . . 2024 1 171 . 1 1 27 27 VAL HG12 H 1 1.2 . . 2 . . . . . . . . 2024 1 172 . 1 1 27 27 VAL HG13 H 1 1.2 . . 2 . . . . . . . . 2024 1 173 . 1 1 27 27 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 2024 1 174 . 1 1 27 27 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 2024 1 175 . 1 1 27 27 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 2024 1 176 . 1 1 28 28 THR H H 1 8.11 . . 1 . . . . . . . . 2024 1 177 . 1 1 28 28 THR HA H 1 4.04 . . 1 . . . . . . . . 2024 1 178 . 1 1 28 28 THR HB H 1 4.35 . . 1 . . . . . . . . 2024 1 179 . 1 1 28 28 THR HG21 H 1 1.27 . . 1 . . . . . . . . 2024 1 180 . 1 1 28 28 THR HG22 H 1 1.27 . . 1 . . . . . . . . 2024 1 181 . 1 1 28 28 THR HG23 H 1 1.27 . . 1 . . . . . . . . 2024 1 182 . 1 1 29 29 GLU H H 1 7.53 . . 1 . . . . . . . . 2024 1 183 . 1 1 29 29 GLU HA H 1 4.3 . . 1 . . . . . . . . 2024 1 184 . 1 1 29 29 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 2024 1 185 . 1 1 29 29 GLU HB3 H 1 1.56 . . 2 . . . . . . . . 2024 1 186 . 1 1 29 29 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 2024 1 187 . 1 1 29 29 GLU HG3 H 1 2.04 . . 2 . . . . . . . . 2024 1 188 . 1 1 30 30 GLY H H 1 8.25 . . 1 . . . . . . . . 2024 1 189 . 1 1 30 30 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 2024 1 190 . 1 1 30 30 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 2024 1 191 . 1 1 31 31 LYS H H 1 6.88 . . 1 . . . . . . . . 2024 1 192 . 1 1 31 31 LYS HA H 1 4.65 . . 1 . . . . . . . . 2024 1 193 . 1 1 31 31 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 2024 1 194 . 1 1 31 31 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 2024 1 195 . 1 1 31 31 LYS HG2 H 1 1.68 . . 1 . . . . . . . . 2024 1 196 . 1 1 31 31 LYS HG3 H 1 1.68 . . 1 . . . . . . . . 2024 1 197 . 1 1 31 31 LYS HD2 H 1 1.15 . . 1 . . . . . . . . 2024 1 198 . 1 1 31 31 LYS HD3 H 1 1.15 . . 1 . . . . . . . . 2024 1 199 . 1 1 31 31 LYS HE2 H 1 3 . . 1 . . . . . . . . 2024 1 200 . 1 1 31 31 LYS HE3 H 1 3 . . 1 . . . . . . . . 2024 1 201 . 1 1 32 32 CYS H H 1 8.31 . . 1 . . . . . . . . 2024 1 202 . 1 1 32 32 CYS HA H 1 5.7 . . 1 . . . . . . . . 2024 1 203 . 1 1 32 32 CYS HB2 H 1 3.74 . . 2 . . . . . . . . 2024 1 204 . 1 1 32 32 CYS HB3 H 1 2.95 . . 2 . . . . . . . . 2024 1 205 . 1 1 33 33 ALA H H 1 9.75 . . 1 . . . . . . . . 2024 1 206 . 1 1 33 33 ALA HA H 1 4.99 . . 1 . . . . . . . . 2024 1 207 . 1 1 33 33 ALA HB1 H 1 1.2 . . 1 . . . . . . . . 2024 1 208 . 1 1 33 33 ALA HB2 H 1 1.2 . . 1 . . . . . . . . 2024 1 209 . 1 1 33 33 ALA HB3 H 1 1.2 . . 1 . . . . . . . . 2024 1 210 . 1 1 34 34 PRO HA H 1 4.48 . . 1 . . . . . . . . 2024 1 211 . 1 1 34 34 PRO HB2 H 1 1.28 . . 2 . . . . . . . . 2024 1 212 . 1 1 34 34 PRO HB3 H 1 .81 . . 2 . . . . . . . . 2024 1 213 . 1 1 34 34 PRO HG2 H 1 1.68 . . 1 . . . . . . . . 2024 1 214 . 1 1 34 34 PRO HG3 H 1 1.68 . . 1 . . . . . . . . 2024 1 215 . 1 1 34 34 PRO HD2 H 1 3.53 . . 2 . . . . . . . . 2024 1 216 . 1 1 34 34 PRO HD3 H 1 3.39 . . 2 . . . . . . . . 2024 1 217 . 1 1 35 35 PHE H H 1 8.75 . . 1 . . . . . . . . 2024 1 218 . 1 1 35 35 PHE HA H 1 4.55 . . 1 . . . . . . . . 2024 1 219 . 1 1 35 35 PHE HB2 H 1 3.12 . . 2 . . . . . . . . 2024 1 220 . 1 1 35 35 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 2024 1 221 . 1 1 35 35 PHE HD1 H 1 6.99 . . 1 . . . . . . . . 2024 1 222 . 1 1 35 35 PHE HD2 H 1 6.99 . . 1 . . . . . . . . 2024 1 223 . 1 1 35 35 PHE HE1 H 1 7.15 . . 1 . . . . . . . . 2024 1 224 . 1 1 35 35 PHE HE2 H 1 7.15 . . 1 . . . . . . . . 2024 1 225 . 1 1 35 35 PHE HZ H 1 6.87 . . 1 . . . . . . . . 2024 1 226 . 1 1 36 36 PHE H H 1 8.55 . . 1 . . . . . . . . 2024 1 227 . 1 1 36 36 PHE HA H 1 4.84 . . 1 . . . . . . . . 2024 1 228 . 1 1 36 36 PHE HB2 H 1 2.88 . . 2 . . . . . . . . 2024 1 229 . 1 1 36 36 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 2024 1 230 . 1 1 36 36 PHE HD1 H 1 7 . . 1 . . . . . . . . 2024 1 231 . 1 1 36 36 PHE HD2 H 1 7 . . 1 . . . . . . . . 2024 1 232 . 1 1 36 36 PHE HE1 H 1 7.29 . . 1 . . . . . . . . 2024 1 233 . 1 1 36 36 PHE HE2 H 1 7.29 . . 1 . . . . . . . . 2024 1 234 . 1 1 36 36 PHE HZ H 1 7.22 . . 1 . . . . . . . . 2024 1 235 . 1 1 37 37 TYR H H 1 9.21 . . 1 . . . . . . . . 2024 1 236 . 1 1 37 37 TYR HA H 1 4.86 . . 1 . . . . . . . . 2024 1 237 . 1 1 37 37 TYR HB2 H 1 2.59 . . 2 . . . . . . . . 2024 1 238 . 1 1 37 37 TYR HB3 H 1 2.53 . . 2 . . . . . . . . 2024 1 239 . 1 1 37 37 TYR HD1 H 1 7.8 . . 3 . . . . . . . . 2024 1 240 . 1 1 37 37 TYR HD2 H 1 6.83 . . 3 . . . . . . . . 2024 1 241 . 1 1 37 37 TYR HE1 H 1 6.7 . . 1 . . . . . . . . 2024 1 242 . 1 1 37 37 TYR HE2 H 1 6.7 . . 1 . . . . . . . . 2024 1 243 . 1 1 38 38 GLY H H 1 8.81 . . 1 . . . . . . . . 2024 1 244 . 1 1 38 38 GLY HA2 H 1 4.19 . . 2 . . . . . . . . 2024 1 245 . 1 1 38 38 GLY HA3 H 1 3.44 . . 2 . . . . . . . . 2024 1 246 . 1 1 39 39 GLY HA2 H 1 4.32 . . 2 . . . . . . . . 2024 1 247 . 1 1 39 39 GLY HA3 H 1 3.13 . . 2 . . . . . . . . 2024 1 248 . 1 1 40 40 CYS H H 1 7.71 . . 1 . . . . . . . . 2024 1 249 . 1 1 40 40 CYS HA H 1 5.07 . . 1 . . . . . . . . 2024 1 250 . 1 1 40 40 CYS HB2 H 1 3.83 . . 2 . . . . . . . . 2024 1 251 . 1 1 40 40 CYS HB3 H 1 2.94 . . 2 . . . . . . . . 2024 1 252 . 1 1 41 41 GLY H H 1 9.19 . . 1 . . . . . . . . 2024 1 253 . 1 1 41 41 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 2024 1 254 . 1 1 41 41 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 2024 1 255 . 1 1 42 42 GLY H H 1 9.36 . . 1 . . . . . . . . 2024 1 256 . 1 1 42 42 GLY HA2 H 1 4.43 . . 2 . . . . . . . . 2024 1 257 . 1 1 42 42 GLY HA3 H 1 3.8 . . 2 . . . . . . . . 2024 1 258 . 1 1 43 43 ASN H H 1 9.01 . . 1 . . . . . . . . 2024 1 259 . 1 1 43 43 ASN HA H 1 5.03 . . 1 . . . . . . . . 2024 1 260 . 1 1 43 43 ASN HB2 H 1 3.42 . . 2 . . . . . . . . 2024 1 261 . 1 1 43 43 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 2024 1 262 . 1 1 43 43 ASN HD21 H 1 8.36 . . 2 . . . . . . . . 2024 1 263 . 1 1 43 43 ASN HD22 H 1 7.84 . . 2 . . . . . . . . 2024 1 264 . 1 1 44 44 ARG H H 1 8.49 . . 1 . . . . . . . . 2024 1 265 . 1 1 44 44 ARG HA H 1 4.2 . . 1 . . . . . . . . 2024 1 266 . 1 1 44 44 ARG HB2 H 1 2.03 . . 2 . . . . . . . . 2024 1 267 . 1 1 44 44 ARG HB3 H 1 1.83 . . 2 . . . . . . . . 2024 1 268 . 1 1 44 44 ARG HG2 H 1 1.75 . . 1 . . . . . . . . 2024 1 269 . 1 1 44 44 ARG HG3 H 1 1.75 . . 1 . . . . . . . . 2024 1 270 . 1 1 44 44 ARG HD2 H 1 3.28 . . 2 . . . . . . . . 2024 1 271 . 1 1 44 44 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 2024 1 272 . 1 1 44 44 ARG HE H 1 7.5 . . 1 . . . . . . . . 2024 1 273 . 1 1 45 45 ASN H H 1 8.06 . . 1 . . . . . . . . 2024 1 274 . 1 1 45 45 ASN HA H 1 4.71 . . 1 . . . . . . . . 2024 1 275 . 1 1 45 45 ASN HB2 H 1 3.18 . . 2 . . . . . . . . 2024 1 276 . 1 1 45 45 ASN HB3 H 1 2.92 . . 2 . . . . . . . . 2024 1 277 . 1 1 45 45 ASN HD21 H 1 8.15 . . 2 . . . . . . . . 2024 1 278 . 1 1 45 45 ASN HD22 H 1 7.95 . . 2 . . . . . . . . 2024 1 279 . 1 1 46 46 ASN H H 1 6.19 . . 1 . . . . . . . . 2024 1 280 . 1 1 46 46 ASN HA H 1 4.82 . . 1 . . . . . . . . 2024 1 281 . 1 1 46 46 ASN HB2 H 1 2.56 . . 2 . . . . . . . . 2024 1 282 . 1 1 46 46 ASN HB3 H 1 2.4 . . 2 . . . . . . . . 2024 1 283 . 1 1 46 46 ASN HD21 H 1 7.08 . . 2 . . . . . . . . 2024 1 284 . 1 1 46 46 ASN HD22 H 1 6.39 . . 2 . . . . . . . . 2024 1 285 . 1 1 47 47 PHE H H 1 10.04 . . 1 . . . . . . . . 2024 1 286 . 1 1 47 47 PHE HA H 1 5.21 . . 1 . . . . . . . . 2024 1 287 . 1 1 47 47 PHE HB2 H 1 3.35 . . 2 . . . . . . . . 2024 1 288 . 1 1 47 47 PHE HB3 H 1 2.84 . . 2 . . . . . . . . 2024 1 289 . 1 1 47 47 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 2024 1 290 . 1 1 47 47 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 2024 1 291 . 1 1 47 47 PHE HE1 H 1 7.67 . . 1 . . . . . . . . 2024 1 292 . 1 1 47 47 PHE HE2 H 1 7.67 . . 1 . . . . . . . . 2024 1 293 . 1 1 47 47 PHE HZ H 1 7.2 . . 1 . . . . . . . . 2024 1 294 . 1 1 48 48 ASP H H 1 9.46 . . 1 . . . . . . . . 2024 1 295 . 1 1 48 48 ASP HA H 1 4.65 . . 1 . . . . . . . . 2024 1 296 . 1 1 48 48 ASP HB2 H 1 2.19 . . 2 . . . . . . . . 2024 1 297 . 1 1 48 48 ASP HB3 H 1 2.89 . . 2 . . . . . . . . 2024 1 298 . 1 1 49 49 THR H H 1 7.34 . . 1 . . . . . . . . 2024 1 299 . 1 1 49 49 THR HA H 1 4.49 . . 1 . . . . . . . . 2024 1 300 . 1 1 49 49 THR HB H 1 4.41 . . 1 . . . . . . . . 2024 1 301 . 1 1 49 49 THR HG21 H 1 1.22 . . 1 . . . . . . . . 2024 1 302 . 1 1 49 49 THR HG22 H 1 1.22 . . 1 . . . . . . . . 2024 1 303 . 1 1 49 49 THR HG23 H 1 1.22 . . 1 . . . . . . . . 2024 1 304 . 1 1 50 50 GLU H H 1 7.67 . . 1 . . . . . . . . 2024 1 305 . 1 1 50 50 GLU HA H 1 2.54 . . 1 . . . . . . . . 2024 1 306 . 1 1 50 50 GLU HB2 H 1 1.01 . . 2 . . . . . . . . 2024 1 307 . 1 1 50 50 GLU HB3 H 1 .69 . . 2 . . . . . . . . 2024 1 308 . 1 1 50 50 GLU HG2 H 1 1.76 . . 2 . . . . . . . . 2024 1 309 . 1 1 50 50 GLU HG3 H 1 1.47 . . 2 . . . . . . . . 2024 1 310 . 1 1 51 51 GLU H H 1 8.56 . . 1 . . . . . . . . 2024 1 311 . 1 1 51 51 GLU HA H 1 3.74 . . 1 . . . . . . . . 2024 1 312 . 1 1 51 51 GLU HB2 H 1 1.93 . . 2 . . . . . . . . 2024 1 313 . 1 1 51 51 GLU HB3 H 1 1.79 . . 2 . . . . . . . . 2024 1 314 . 1 1 51 51 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 2024 1 315 . 1 1 51 51 GLU HG3 H 1 2.18 . . 2 . . . . . . . . 2024 1 316 . 1 1 52 52 TYR H H 1 8.04 . . 1 . . . . . . . . 2024 1 317 . 1 1 52 52 TYR HA H 1 4.36 . . 1 . . . . . . . . 2024 1 318 . 1 1 52 52 TYR HB2 H 1 3.16 . . 2 . . . . . . . . 2024 1 319 . 1 1 52 52 TYR HB3 H 1 2.96 . . 2 . . . . . . . . 2024 1 320 . 1 1 52 52 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 2024 1 321 . 1 1 52 52 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 2024 1 322 . 1 1 52 52 TYR HE1 H 1 6.97 . . 1 . . . . . . . . 2024 1 323 . 1 1 52 52 TYR HE2 H 1 6.97 . . 1 . . . . . . . . 2024 1 324 . 1 1 53 53 CYS H H 1 7.23 . . 1 . . . . . . . . 2024 1 325 . 1 1 53 53 CYS HA H 1 2.2 . . 1 . . . . . . . . 2024 1 326 . 1 1 53 53 CYS HB2 H 1 3.29 . . 2 . . . . . . . . 2024 1 327 . 1 1 53 53 CYS HB3 H 1 3.04 . . 2 . . . . . . . . 2024 1 328 . 1 1 54 54 MET H H 1 8.43 . . 1 . . . . . . . . 2024 1 329 . 1 1 54 54 MET HA H 1 4.16 . . 1 . . . . . . . . 2024 1 330 . 1 1 54 54 MET HB2 H 1 2 . . 2 . . . . . . . . 2024 1 331 . 1 1 54 54 MET HB3 H 1 1.91 . . 2 . . . . . . . . 2024 1 332 . 1 1 54 54 MET HG2 H 1 2.71 . . 2 . . . . . . . . 2024 1 333 . 1 1 54 54 MET HG3 H 1 2.63 . . 2 . . . . . . . . 2024 1 334 . 1 1 54 54 MET HE1 H 1 2.21 . . 1 . . . . . . . . 2024 1 335 . 1 1 54 54 MET HE2 H 1 2.21 . . 1 . . . . . . . . 2024 1 336 . 1 1 54 54 MET HE3 H 1 2.21 . . 1 . . . . . . . . 2024 1 337 . 1 1 55 55 ALA H H 1 7.99 . . 1 . . . . . . . . 2024 1 338 . 1 1 55 55 ALA HA H 1 4 . . 1 . . . . . . . . 2024 1 339 . 1 1 55 55 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 2024 1 340 . 1 1 55 55 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 2024 1 341 . 1 1 55 55 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 2024 1 342 . 1 1 56 56 VAL H H 1 7.41 . . 1 . . . . . . . . 2024 1 343 . 1 1 56 56 VAL HA H 1 3.66 . . 1 . . . . . . . . 2024 1 344 . 1 1 56 56 VAL HB H 1 1.51 . . 1 . . . . . . . . 2024 1 345 . 1 1 56 56 VAL HG11 H 1 .86 . . 2 . . . . . . . . 2024 1 346 . 1 1 56 56 VAL HG12 H 1 .86 . . 2 . . . . . . . . 2024 1 347 . 1 1 56 56 VAL HG13 H 1 .86 . . 2 . . . . . . . . 2024 1 348 . 1 1 56 56 VAL HG21 H 1 .68 . . 2 . . . . . . . . 2024 1 349 . 1 1 56 56 VAL HG22 H 1 .68 . . 2 . . . . . . . . 2024 1 350 . 1 1 56 56 VAL HG23 H 1 .68 . . 2 . . . . . . . . 2024 1 351 . 1 1 57 57 CYS H H 1 8.04 . . 1 . . . . . . . . 2024 1 352 . 1 1 57 57 CYS HA H 1 4.63 . . 1 . . . . . . . . 2024 1 353 . 1 1 57 57 CYS HB2 H 1 2.14 . . 2 . . . . . . . . 2024 1 354 . 1 1 57 57 CYS HB3 H 1 1.77 . . 2 . . . . . . . . 2024 1 355 . 1 1 58 58 GLY H H 1 8.08 . . 1 . . . . . . . . 2024 1 356 . 1 1 58 58 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 2024 1 357 . 1 1 58 58 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 2024 1 358 . 1 1 59 59 SER H H 1 8.03 . . 1 . . . . . . . . 2024 1 359 . 1 1 59 59 SER HA H 1 4.47 . . 1 . . . . . . . . 2024 1 360 . 1 1 59 59 SER HB2 H 1 3.89 . . 2 . . . . . . . . 2024 1 361 . 1 1 59 59 SER HB3 H 1 3.87 . . 2 . . . . . . . . 2024 1 362 . 1 1 60 60 ALA H H 1 8.06 . . 1 . . . . . . . . 2024 1 363 . 1 1 60 60 ALA HA H 1 4.24 . . 1 . . . . . . . . 2024 1 364 . 1 1 60 60 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 2024 1 365 . 1 1 60 60 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 2024 1 366 . 1 1 60 60 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 2024 1 367 . 1 1 61 61 LYS H H 1 8.16 . . 1 . . . . . . . . 2024 1 368 . 1 1 61 61 LYS HA H 1 4.34 . . 1 . . . . . . . . 2024 1 369 . 1 1 61 61 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 2024 1 370 . 1 1 61 61 LYS HB3 H 1 1.77 . . 2 . . . . . . . . 2024 1 371 . 1 1 61 61 LYS HG2 H 1 1.7 . . 1 . . . . . . . . 2024 1 372 . 1 1 61 61 LYS HG3 H 1 1.7 . . 1 . . . . . . . . 2024 1 373 . 1 1 61 61 LYS HD2 H 1 1.45 . . 1 . . . . . . . . 2024 1 374 . 1 1 61 61 LYS HD3 H 1 1.45 . . 1 . . . . . . . . 2024 1 375 . 1 1 61 61 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2024 1 376 . 1 1 61 61 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2024 1 377 . 1 1 62 62 LEU H H 1 8.29 . . 1 . . . . . . . . 2024 1 378 . 1 1 62 62 LEU HA H 1 4.37 . . 1 . . . . . . . . 2024 1 379 . 1 1 62 62 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 2024 1 380 . 1 1 62 62 LEU HB3 H 1 1.62 . . 2 . . . . . . . . 2024 1 381 . 1 1 62 62 LEU HG H 1 1.66 . . 1 . . . . . . . . 2024 1 382 . 1 1 62 62 LEU HD11 H 1 .95 . . 2 . . . . . . . . 2024 1 383 . 1 1 62 62 LEU HD12 H 1 .95 . . 2 . . . . . . . . 2024 1 384 . 1 1 62 62 LEU HD13 H 1 .95 . . 2 . . . . . . . . 2024 1 385 . 1 1 62 62 LEU HD21 H 1 .89 . . 2 . . . . . . . . 2024 1 386 . 1 1 62 62 LEU HD22 H 1 .89 . . 2 . . . . . . . . 2024 1 387 . 1 1 62 62 LEU HD23 H 1 .89 . . 2 . . . . . . . . 2024 1 388 . 1 1 63 63 GLY H H 1 8.46 . . 1 . . . . . . . . 2024 1 389 . 1 1 63 63 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 2024 1 390 . 1 1 63 63 GLY HA3 H 1 4.01 . . 2 . . . . . . . . 2024 1 391 . 1 1 64 64 SER H H 1 8.25 . . 1 . . . . . . . . 2024 1 392 . 1 1 64 64 SER HA H 1 4.52 . . 1 . . . . . . . . 2024 1 393 . 1 1 64 64 SER HB2 H 1 3.93 . . 2 . . . . . . . . 2024 1 394 . 1 1 64 64 SER HB3 H 1 3.88 . . 2 . . . . . . . . 2024 1 395 . 1 1 65 65 GLY H H 1 8.16 . . 1 . . . . . . . . 2024 1 396 . 1 1 65 65 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 2024 1 397 . 1 1 65 65 GLY HA3 H 1 3.75 . . 2 . . . . . . . . 2024 1 stop_ save_