data_4698 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4698 _Entry.Title ; 1H, 13C, and 15N backbone assignments of TGF-beta type II receptor ligand binding domain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-03-22 _Entry.Accession_date 2000-03-22 _Entry.Last_release_date 2000-09-25 _Entry.Original_release_date 2000-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Marlow . S. . 4698 2 Nicholas Chim . . . 4698 3 Christopher Brown . B. . 4698 4 Joey Barnett . V. . 4698 5 Andrzej Krezel . M. . 4698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 4698 '1H chemical shifts' 221 4698 '15N chemical shifts' 108 4698 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 . . 2000-09-25 2000-03-22 original author . 4698 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4698 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, and 15N backbone assignments of the ligand binding domain of TGFb type II receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 4 _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 349 _Citation.Page_last 350 _Citation.Year 2000 _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 Michael Marlow . S. . 4698 1 2 Nicholas Chim . . . 4698 1 3 Christopher Brown . B. . 4698 1 4 Joey Barnett . V. . 4698 1 5 Andrzej Krezel . M. . 4698 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'TGF beta' 4698 1 'ligand binding domain' 4698 1 'heteronuclear NMR' 4698 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 4698 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 94220749 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 4698 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 93044345 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TbR-II _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TbR-II _Assembly.Entry_ID 4698 _Assembly.ID 1 _Assembly.Name 'Transforming Growth Factor Beta type II receptor' _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4698 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TbR-II 1 $TbR-II . . . native . . . . . 4698 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Transforming Growth Factor Beta type II receptor' system 4698 1 TbR-II abbreviation 4698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TbR-II _Entity.Sf_category entity _Entity.Sf_framecode TbR-II _Entity.Entry_ID 4698 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Transforming Growth Factor Beta type II receptor' _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 ; MHDRSKENGLQLPRLCKFCD VKATTCSNQDQCTSNCNITS ICEKNNEVCAAVWRRNDENV TLETICHDPQKRLYGHMLDD SSSEQCVMKEKKDDGGLMFM CSCTGEECNDVLIFSAIDPH KP ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13823 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KS6 . "Transforming Growth Factor Beta Type Ii Receptor Ligand Binding Domain" . . . . . 87.70 107 100.00 100.00 2.22e-71 . . . . 4698 1 2 no GB AAA49091 . "transforming growth factor-beta type II receptor [Gallus gallus]" . . . . . 100.00 557 98.36 99.18 1.33e-79 . . . . 4698 1 3 no REF NP_990759 . "TGF-beta receptor type-2 precursor [Gallus gallus]" . . . . . 100.00 557 98.36 99.18 1.33e-79 . . . . 4698 1 4 no SP Q90999 . "RecName: Full=TGF-beta receptor type-2; Short=TGFR-2; AltName: Full=TGF-beta type II receptor; AltName: Full=Transforming growt" . . . . . 100.00 557 98.36 99.18 1.33e-79 . . . . 4698 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Transforming Growth Factor Beta type II receptor' common 4698 1 'exoplasmic, ligand binding, or extracellular domain' variant 4698 1 TbR-II abbreviation 4698 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4698 1 2 . HIS . 4698 1 3 . ASP . 4698 1 4 . ARG . 4698 1 5 . SER . 4698 1 6 . LYS . 4698 1 7 . GLU . 4698 1 8 . ASN . 4698 1 9 . GLY . 4698 1 10 . LEU . 4698 1 11 . GLN . 4698 1 12 . LEU . 4698 1 13 . PRO . 4698 1 14 . ARG . 4698 1 15 . LEU . 4698 1 16 . CYS . 4698 1 17 . LYS . 4698 1 18 . PHE . 4698 1 19 . CYS . 4698 1 20 . ASP . 4698 1 21 . VAL . 4698 1 22 . LYS . 4698 1 23 . ALA . 4698 1 24 . THR . 4698 1 25 . THR . 4698 1 26 . CYS . 4698 1 27 . SER . 4698 1 28 . ASN . 4698 1 29 . GLN . 4698 1 30 . ASP . 4698 1 31 . GLN . 4698 1 32 . CYS . 4698 1 33 . THR . 4698 1 34 . SER . 4698 1 35 . ASN . 4698 1 36 . CYS . 4698 1 37 . ASN . 4698 1 38 . ILE . 4698 1 39 . THR . 4698 1 40 . SER . 4698 1 41 . ILE . 4698 1 42 . CYS . 4698 1 43 . GLU . 4698 1 44 . LYS . 4698 1 45 . ASN . 4698 1 46 . ASN . 4698 1 47 . GLU . 4698 1 48 . VAL . 4698 1 49 . CYS . 4698 1 50 . ALA . 4698 1 51 . ALA . 4698 1 52 . VAL . 4698 1 53 . TRP . 4698 1 54 . ARG . 4698 1 55 . ARG . 4698 1 56 . ASN . 4698 1 57 . ASP . 4698 1 58 . GLU . 4698 1 59 . ASN . 4698 1 60 . VAL . 4698 1 61 . THR . 4698 1 62 . LEU . 4698 1 63 . GLU . 4698 1 64 . THR . 4698 1 65 . ILE . 4698 1 66 . CYS . 4698 1 67 . HIS . 4698 1 68 . ASP . 4698 1 69 . PRO . 4698 1 70 . GLN . 4698 1 71 . LYS . 4698 1 72 . ARG . 4698 1 73 . LEU . 4698 1 74 . TYR . 4698 1 75 . GLY . 4698 1 76 . HIS . 4698 1 77 . MET . 4698 1 78 . LEU . 4698 1 79 . ASP . 4698 1 80 . ASP . 4698 1 81 . SER . 4698 1 82 . SER . 4698 1 83 . SER . 4698 1 84 . GLU . 4698 1 85 . GLN . 4698 1 86 . CYS . 4698 1 87 . VAL . 4698 1 88 . MET . 4698 1 89 . LYS . 4698 1 90 . GLU . 4698 1 91 . LYS . 4698 1 92 . LYS . 4698 1 93 . ASP . 4698 1 94 . ASP . 4698 1 95 . GLY . 4698 1 96 . GLY . 4698 1 97 . LEU . 4698 1 98 . MET . 4698 1 99 . PHE . 4698 1 100 . MET . 4698 1 101 . CYS . 4698 1 102 . SER . 4698 1 103 . CYS . 4698 1 104 . THR . 4698 1 105 . GLY . 4698 1 106 . GLU . 4698 1 107 . GLU . 4698 1 108 . CYS . 4698 1 109 . ASN . 4698 1 110 . ASP . 4698 1 111 . VAL . 4698 1 112 . LEU . 4698 1 113 . ILE . 4698 1 114 . PHE . 4698 1 115 . SER . 4698 1 116 . ALA . 4698 1 117 . ILE . 4698 1 118 . ASP . 4698 1 119 . PRO . 4698 1 120 . HIS . 4698 1 121 . LYS . 4698 1 122 . PRO . 4698 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4698 1 . HIS 2 2 4698 1 . ASP 3 3 4698 1 . ARG 4 4 4698 1 . SER 5 5 4698 1 . LYS 6 6 4698 1 . GLU 7 7 4698 1 . ASN 8 8 4698 1 . GLY 9 9 4698 1 . LEU 10 10 4698 1 . GLN 11 11 4698 1 . LEU 12 12 4698 1 . PRO 13 13 4698 1 . ARG 14 14 4698 1 . LEU 15 15 4698 1 . CYS 16 16 4698 1 . LYS 17 17 4698 1 . PHE 18 18 4698 1 . CYS 19 19 4698 1 . ASP 20 20 4698 1 . VAL 21 21 4698 1 . LYS 22 22 4698 1 . ALA 23 23 4698 1 . THR 24 24 4698 1 . THR 25 25 4698 1 . CYS 26 26 4698 1 . SER 27 27 4698 1 . ASN 28 28 4698 1 . GLN 29 29 4698 1 . ASP 30 30 4698 1 . GLN 31 31 4698 1 . CYS 32 32 4698 1 . THR 33 33 4698 1 . SER 34 34 4698 1 . ASN 35 35 4698 1 . CYS 36 36 4698 1 . ASN 37 37 4698 1 . ILE 38 38 4698 1 . THR 39 39 4698 1 . SER 40 40 4698 1 . ILE 41 41 4698 1 . CYS 42 42 4698 1 . GLU 43 43 4698 1 . LYS 44 44 4698 1 . ASN 45 45 4698 1 . ASN 46 46 4698 1 . GLU 47 47 4698 1 . VAL 48 48 4698 1 . CYS 49 49 4698 1 . ALA 50 50 4698 1 . ALA 51 51 4698 1 . VAL 52 52 4698 1 . TRP 53 53 4698 1 . ARG 54 54 4698 1 . ARG 55 55 4698 1 . ASN 56 56 4698 1 . ASP 57 57 4698 1 . GLU 58 58 4698 1 . ASN 59 59 4698 1 . VAL 60 60 4698 1 . THR 61 61 4698 1 . LEU 62 62 4698 1 . GLU 63 63 4698 1 . THR 64 64 4698 1 . ILE 65 65 4698 1 . CYS 66 66 4698 1 . HIS 67 67 4698 1 . ASP 68 68 4698 1 . PRO 69 69 4698 1 . GLN 70 70 4698 1 . LYS 71 71 4698 1 . ARG 72 72 4698 1 . LEU 73 73 4698 1 . TYR 74 74 4698 1 . GLY 75 75 4698 1 . HIS 76 76 4698 1 . MET 77 77 4698 1 . LEU 78 78 4698 1 . ASP 79 79 4698 1 . ASP 80 80 4698 1 . SER 81 81 4698 1 . SER 82 82 4698 1 . SER 83 83 4698 1 . GLU 84 84 4698 1 . GLN 85 85 4698 1 . CYS 86 86 4698 1 . VAL 87 87 4698 1 . MET 88 88 4698 1 . LYS 89 89 4698 1 . GLU 90 90 4698 1 . LYS 91 91 4698 1 . LYS 92 92 4698 1 . ASP 93 93 4698 1 . ASP 94 94 4698 1 . GLY 95 95 4698 1 . GLY 96 96 4698 1 . LEU 97 97 4698 1 . MET 98 98 4698 1 . PHE 99 99 4698 1 . MET 100 100 4698 1 . CYS 101 101 4698 1 . SER 102 102 4698 1 . CYS 103 103 4698 1 . THR 104 104 4698 1 . GLY 105 105 4698 1 . GLU 106 106 4698 1 . GLU 107 107 4698 1 . CYS 108 108 4698 1 . ASN 109 109 4698 1 . ASP 110 110 4698 1 . VAL 111 111 4698 1 . LEU 112 112 4698 1 . ILE 113 113 4698 1 . PHE 114 114 4698 1 . SER 115 115 4698 1 . ALA 116 116 4698 1 . ILE 117 117 4698 1 . ASP 118 118 4698 1 . PRO 119 119 4698 1 . HIS 120 120 4698 1 . LYS 121 121 4698 1 . PRO 122 122 4698 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 4698 _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 $TbR-II . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . brain . . . . . . . . . . . . . . . . . 4698 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 4698 _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 $TbR-II . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . plasmid . . pET-32 . . . . . . 4698 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4698 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Transforming Growth Factor Beta type II receptor' '[U-13C; U-15N]' . . 1 $TbR-II . . . 0.5 2 mM . . . . 4698 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4698 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Transforming Growth Factor Beta type II receptor' [U-15N] . . 1 $TbR-II . . . 0.5 2 mM . . . . 4698 2 stop_ save_ ####################### # Sample conditions # ####################### save_all_samples _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode all_samples _Sample_condition_list.Entry_ID 4698 _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 0.25 pH 4698 1 temperature 300 0.1 K 4698 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4698 _Software.ID 1 _Software.Name Felix _Software.Version 1997 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4698 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4698 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 4698 2 bookkeeping 4698 2 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 4698 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4698 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4698 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4698 _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 . . . 4698 1 2 spectrometer_2 Bruker DRX . 600 . . . 4698 1 3 spectrometer_3 Bruker DMX . 750 . . . 4698 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 4698 _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 15N-HSQC . . . . . . . . . . . . . . . . 1 $all_samples . . . . . . . . . . . . . . . . . . . . . 4698 1 2 HNCO . . . . . . . . . . . . . . . . 1 $all_samples . . . . . . . . . . . . . . . . . . . . . 4698 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $all_samples . . . . . . . . . . . . . . . . . . . . . 4698 1 4 CBCANH . . . . . . . . . . . . . . . . 1 $all_samples . . . . . . . . . . . . . . . . . . . . . 4698 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $all_samples . . . . . . . . . . . . . . . . . . . . . 4698 1 6 '15N edited TOCSY' . . . . . . . . . . . . . . . . 1 $all_samples . . . . . . . . . . . . . . . . . . . . . 4698 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4698 _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 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4698 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4698 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4698 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $all_samples _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4698 1 . . 2 $sample_2 . 4698 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 6 6 LYS C C 13 176.589 . . 1 . . . . . . . . 4698 1 2 . 1 1 6 6 LYS CA C 13 56.908 . . 1 . . . . . . . . 4698 1 3 . 1 1 7 7 GLU H H 1 8.481 . . 1 . . . . . . . . 4698 1 4 . 1 1 7 7 GLU HA H 1 4.117 . . 1 . . . . . . . . 4698 1 5 . 1 1 7 7 GLU C C 13 176.45 . . 1 . . . . . . . . 4698 1 6 . 1 1 7 7 GLU CA C 13 56.896 . . 1 . . . . . . . . 4698 1 7 . 1 1 7 7 GLU N N 15 121.694 . . 1 . . . . . . . . 4698 1 8 . 1 1 8 8 ASN H H 1 8.241 . . 1 . . . . . . . . 4698 1 9 . 1 1 8 8 ASN HA H 1 4.602 . . 1 . . . . . . . . 4698 1 10 . 1 1 8 8 ASN C C 13 175.754 . . 1 . . . . . . . . 4698 1 11 . 1 1 8 8 ASN CA C 13 53.073 . . 1 . . . . . . . . 4698 1 12 . 1 1 8 8 ASN N N 15 119.545 . . 1 . . . . . . . . 4698 1 13 . 1 1 9 9 GLY H H 1 8.199 . . 1 . . . . . . . . 4698 1 14 . 1 1 9 9 GLY HA2 H 1 3.808 . . 1 . . . . . . . . 4698 1 15 . 1 1 9 9 GLY HA3 H 1 3.808 . . 1 . . . . . . . . 4698 1 16 . 1 1 9 9 GLY C C 13 173.989 . . 1 . . . . . . . . 4698 1 17 . 1 1 9 9 GLY CA C 13 45.319 . . 1 . . . . . . . . 4698 1 18 . 1 1 9 9 GLY N N 15 109.41 . . 1 . . . . . . . . 4698 1 19 . 1 1 10 10 LEU H H 1 7.893 . . 1 . . . . . . . . 4698 1 20 . 1 1 10 10 LEU HA H 1 4.216 . . 1 . . . . . . . . 4698 1 21 . 1 1 10 10 LEU C C 13 177.001 . . 1 . . . . . . . . 4698 1 22 . 1 1 10 10 LEU CA C 13 56.81 . . 1 . . . . . . . . 4698 1 23 . 1 1 10 10 LEU N N 15 121.694 . . 1 . . . . . . . . 4698 1 24 . 1 1 11 11 GLN H H 1 8.277 . . 1 . . . . . . . . 4698 1 25 . 1 1 11 11 GLN HA H 1 4.193 . . 1 . . . . . . . . 4698 1 26 . 1 1 11 11 GLN C C 13 174.735 . . 1 . . . . . . . . 4698 1 27 . 1 1 11 11 GLN CA C 13 55.179 . . 1 . . . . . . . . 4698 1 28 . 1 1 11 11 GLN N N 15 122.28 . . 1 . . . . . . . . 4698 1 29 . 1 1 12 12 LEU H H 1 8.096 . . 1 . . . . . . . . 4698 1 30 . 1 1 12 12 LEU HA H 1 4.502 . . 1 . . . . . . . . 4698 1 31 . 1 1 12 12 LEU C C 13 174.886 . . 1 . . . . . . . . 4698 1 32 . 1 1 12 12 LEU CA C 13 52.725 . . 1 . . . . . . . . 4698 1 33 . 1 1 12 12 LEU N N 15 125.991 . . 1 . . . . . . . . 4698 1 34 . 1 1 13 13 PRO HA H 1 4.26 . . 1 . . . . . . . . 4698 1 35 . 1 1 13 13 PRO C C 13 175.519 . . 1 . . . . . . . . 4698 1 36 . 1 1 13 13 PRO CA C 13 62.377 . . 1 . . . . . . . . 4698 1 37 . 1 1 14 14 ARG H H 1 8.624 . . 1 . . . . . . . . 4698 1 38 . 1 1 14 14 ARG HA H 1 4.17 . . 1 . . . . . . . . 4698 1 39 . 1 1 14 14 ARG C C 13 173.376 . . 1 . . . . . . . . 4698 1 40 . 1 1 14 14 ARG CA C 13 55.253 . . 1 . . . . . . . . 4698 1 41 . 1 1 14 14 ARG N N 15 122.866 . . 1 . . . . . . . . 4698 1 42 . 1 1 15 15 LEU H H 1 7.896 . . 1 . . . . . . . . 4698 1 43 . 1 1 15 15 LEU HA H 1 4.823 . . 1 . . . . . . . . 4698 1 44 . 1 1 15 15 LEU C C 13 176.895 . . 1 . . . . . . . . 4698 1 45 . 1 1 15 15 LEU CA C 13 53.874 . . 1 . . . . . . . . 4698 1 46 . 1 1 15 15 LEU N N 15 123.061 . . 1 . . . . . . . . 4698 1 47 . 1 1 16 16 CYS H H 1 8.574 . . 1 . . . . . . . . 4698 1 48 . 1 1 16 16 CYS HA H 1 4.972 . . 1 . . . . . . . . 4698 1 49 . 1 1 16 16 CYS C C 13 175.647 . . 1 . . . . . . . . 4698 1 50 . 1 1 16 16 CYS CA C 13 51.528 . . 1 . . . . . . . . 4698 1 51 . 1 1 16 16 CYS N N 15 120.131 . . 1 . . . . . . . . 4698 1 52 . 1 1 17 17 LYS H H 1 8.994 . . 1 . . . . . . . . 4698 1 53 . 1 1 17 17 LYS HA H 1 4.772 . . 1 . . . . . . . . 4698 1 54 . 1 1 17 17 LYS C C 13 177.511 . . 1 . . . . . . . . 4698 1 55 . 1 1 17 17 LYS CA C 13 54.877 . . 1 . . . . . . . . 4698 1 56 . 1 1 17 17 LYS N N 15 120.717 . . 1 . . . . . . . . 4698 1 57 . 1 1 18 18 PHE H H 1 8.274 . . 1 . . . . . . . . 4698 1 58 . 1 1 18 18 PHE HA H 1 5.111 . . 1 . . . . . . . . 4698 1 59 . 1 1 18 18 PHE C C 13 174.481 . . 1 . . . . . . . . 4698 1 60 . 1 1 18 18 PHE CA C 13 54.303 . . 1 . . . . . . . . 4698 1 61 . 1 1 18 18 PHE N N 15 126.383 . . 1 . . . . . . . . 4698 1 62 . 1 1 19 19 CYS H H 1 8.557 . . 1 . . . . . . . . 4698 1 63 . 1 1 19 19 CYS HA H 1 4.832 . . 1 . . . . . . . . 4698 1 64 . 1 1 19 19 CYS C C 13 174.426 . . 1 . . . . . . . . 4698 1 65 . 1 1 19 19 CYS CA C 13 60.277 . . 1 . . . . . . . . 4698 1 66 . 1 1 19 19 CYS N N 15 120.131 . . 1 . . . . . . . . 4698 1 67 . 1 1 20 20 ASP H H 1 8.833 . . 1 . . . . . . . . 4698 1 68 . 1 1 20 20 ASP HA H 1 4.157 . . 1 . . . . . . . . 4698 1 69 . 1 1 20 20 ASP C C 13 174.901 . . 1 . . . . . . . . 4698 1 70 . 1 1 20 20 ASP CA C 13 56.222 . . 1 . . . . . . . . 4698 1 71 . 1 1 20 20 ASP N N 15 119.154 . . 1 . . . . . . . . 4698 1 72 . 1 1 21 21 VAL H H 1 8.188 . . 1 . . . . . . . . 4698 1 73 . 1 1 21 21 VAL HA H 1 3.947 . . 1 . . . . . . . . 4698 1 74 . 1 1 21 21 VAL C C 13 176.128 . . 1 . . . . . . . . 4698 1 75 . 1 1 21 21 VAL CA C 13 63.942 . . 1 . . . . . . . . 4698 1 76 . 1 1 21 21 VAL N N 15 121.694 . . 1 . . . . . . . . 4698 1 77 . 1 1 22 22 LYS H H 1 8.576 . . 1 . . . . . . . . 4698 1 78 . 1 1 22 22 LYS HA H 1 4.623 . . 1 . . . . . . . . 4698 1 79 . 1 1 22 22 LYS C C 13 175.232 . . 1 . . . . . . . . 4698 1 80 . 1 1 22 22 LYS CA C 13 52.943 . . 1 . . . . . . . . 4698 1 81 . 1 1 22 22 LYS N N 15 127.749 . . 1 . . . . . . . . 4698 1 82 . 1 1 23 23 ALA H H 1 8.389 . . 1 . . . . . . . . 4698 1 83 . 1 1 23 23 ALA HA H 1 4.439 . . 1 . . . . . . . . 4698 1 84 . 1 1 23 23 ALA C C 13 177.479 . . 1 . . . . . . . . 4698 1 85 . 1 1 23 23 ALA CA C 13 52.907 . . 1 . . . . . . . . 4698 1 86 . 1 1 23 23 ALA N N 15 123.647 . . 1 . . . . . . . . 4698 1 87 . 1 1 24 24 THR H H 1 7.833 . . 1 . . . . . . . . 4698 1 88 . 1 1 24 24 THR HA H 1 4.875 . . 1 . . . . . . . . 4698 1 89 . 1 1 24 24 THR C C 13 172.319 . . 1 . . . . . . . . 4698 1 90 . 1 1 24 24 THR CA C 13 59.204 . . 1 . . . . . . . . 4698 1 91 . 1 1 24 24 THR N N 15 115.834 . . 1 . . . . . . . . 4698 1 92 . 1 1 25 25 THR H H 1 8.138 . . 1 . . . . . . . . 4698 1 93 . 1 1 25 25 THR HA H 1 4.38 . . 1 . . . . . . . . 4698 1 94 . 1 1 25 25 THR C C 13 175.45 . . 1 . . . . . . . . 4698 1 95 . 1 1 25 25 THR CA C 13 61.064 . . 1 . . . . . . . . 4698 1 96 . 1 1 25 25 THR N N 15 115.638 . . 1 . . . . . . . . 4698 1 97 . 1 1 26 26 CYS H H 1 8.82 . . 1 . . . . . . . . 4698 1 98 . 1 1 26 26 CYS HA H 1 4.302 . . 1 . . . . . . . . 4698 1 99 . 1 1 26 26 CYS C C 13 175.713 . . 1 . . . . . . . . 4698 1 100 . 1 1 26 26 CYS CA C 13 57.387 . . 1 . . . . . . . . 4698 1 101 . 1 1 26 26 CYS N N 15 124.424 . . 1 . . . . . . . . 4698 1 102 . 1 1 27 27 SER H H 1 8.418 . . 1 . . . . . . . . 4698 1 103 . 1 1 27 27 SER HA H 1 4.456 . . 1 . . . . . . . . 4698 1 104 . 1 1 27 27 SER C C 13 172.126 . . 1 . . . . . . . . 4698 1 105 . 1 1 27 27 SER CA C 13 56.013 . . 1 . . . . . . . . 4698 1 106 . 1 1 27 27 SER N N 15 123.061 . . 1 . . . . . . . . 4698 1 107 . 1 1 28 28 ASN H H 1 7.571 . . 1 . . . . . . . . 4698 1 108 . 1 1 28 28 ASN HA H 1 4.614 . . 1 . . . . . . . . 4698 1 109 . 1 1 28 28 ASN C C 13 173.481 . . 1 . . . . . . . . 4698 1 110 . 1 1 28 28 ASN CA C 13 50.654 . . 1 . . . . . . . . 4698 1 111 . 1 1 28 28 ASN N N 15 116.615 . . 1 . . . . . . . . 4698 1 112 . 1 1 29 29 GLN H H 1 6.874 . . 1 . . . . . . . . 4698 1 113 . 1 1 29 29 GLN HA H 1 3.973 . . 1 . . . . . . . . 4698 1 114 . 1 1 29 29 GLN C C 13 174.222 . . 1 . . . . . . . . 4698 1 115 . 1 1 29 29 GLN CA C 13 54.42 . . 1 . . . . . . . . 4698 1 116 . 1 1 29 29 GLN N N 15 115.443 . . 1 . . . . . . . . 4698 1 117 . 1 1 30 30 ASP H H 1 8.377 . . 1 . . . . . . . . 4698 1 118 . 1 1 30 30 ASP HA H 1 4.187 . . 1 . . . . . . . . 4698 1 119 . 1 1 30 30 ASP C C 13 173.879 . . 1 . . . . . . . . 4698 1 120 . 1 1 30 30 ASP CA C 13 55.532 . . 1 . . . . . . . . 4698 1 121 . 1 1 30 30 ASP N N 15 119.35 . . 1 . . . . . . . . 4698 1 122 . 1 1 31 31 GLN H H 1 7.873 . . 1 . . . . . . . . 4698 1 123 . 1 1 31 31 GLN HA H 1 5.275 . . 1 . . . . . . . . 4698 1 124 . 1 1 31 31 GLN C C 13 174.43 . . 1 . . . . . . . . 4698 1 125 . 1 1 31 31 GLN CA C 13 54.42 . . 1 . . . . . . . . 4698 1 126 . 1 1 31 31 GLN N N 15 118.959 . . 1 . . . . . . . . 4698 1 127 . 1 1 32 32 CYS H H 1 9.063 . . 1 . . . . . . . . 4698 1 128 . 1 1 32 32 CYS HA H 1 4.968 . . 1 . . . . . . . . 4698 1 129 . 1 1 32 32 CYS C C 13 173.445 . . 1 . . . . . . . . 4698 1 130 . 1 1 32 32 CYS CA C 13 53.746 . . 1 . . . . . . . . 4698 1 131 . 1 1 32 32 CYS N N 15 120.326 . . 1 . . . . . . . . 4698 1 132 . 1 1 33 33 THR H H 1 8.192 . . 1 . . . . . . . . 4698 1 133 . 1 1 33 33 THR HA H 1 5.339 . . 1 . . . . . . . . 4698 1 134 . 1 1 33 33 THR C C 13 176.323 . . 1 . . . . . . . . 4698 1 135 . 1 1 33 33 THR CA C 13 59.945 . . 1 . . . . . . . . 4698 1 136 . 1 1 33 33 THR N N 15 115.834 . . 1 . . . . . . . . 4698 1 137 . 1 1 34 34 SER H H 1 8.906 . . 1 . . . . . . . . 4698 1 138 . 1 1 34 34 SER HA H 1 4.227 . . 1 . . . . . . . . 4698 1 139 . 1 1 34 34 SER C C 13 176.132 . . 1 . . . . . . . . 4698 1 140 . 1 1 34 34 SER CA C 13 61.531 . . 1 . . . . . . . . 4698 1 141 . 1 1 34 34 SER N N 15 117.201 . . 1 . . . . . . . . 4698 1 142 . 1 1 35 35 ASN H H 1 8.594 . . 1 . . . . . . . . 4698 1 143 . 1 1 35 35 ASN HA H 1 4.212 . . 1 . . . . . . . . 4698 1 144 . 1 1 35 35 ASN C C 13 173.837 . . 1 . . . . . . . . 4698 1 145 . 1 1 35 35 ASN CA C 13 54.093 . . 1 . . . . . . . . 4698 1 146 . 1 1 35 35 ASN N N 15 120.131 . . 1 . . . . . . . . 4698 1 147 . 1 1 36 36 CYS H H 1 7.994 . . 1 . . . . . . . . 4698 1 148 . 1 1 36 36 CYS HA H 1 4.839 . . 1 . . . . . . . . 4698 1 149 . 1 1 36 36 CYS C C 13 174.02 . . 1 . . . . . . . . 4698 1 150 . 1 1 36 36 CYS CA C 13 53.913 . . 1 . . . . . . . . 4698 1 151 . 1 1 36 36 CYS N N 15 116.615 . . 1 . . . . . . . . 4698 1 152 . 1 1 37 37 ASN H H 1 8.809 . . 1 . . . . . . . . 4698 1 153 . 1 1 37 37 ASN HA H 1 4.624 . . 1 . . . . . . . . 4698 1 154 . 1 1 37 37 ASN C C 13 173.815 . . 1 . . . . . . . . 4698 1 155 . 1 1 37 37 ASN CA C 13 52.657 . . 1 . . . . . . . . 4698 1 156 . 1 1 37 37 ASN N N 15 128.335 . . 1 . . . . . . . . 4698 1 157 . 1 1 38 38 ILE H H 1 7.448 . . 1 . . . . . . . . 4698 1 158 . 1 1 38 38 ILE HA H 1 4.091 . . 1 . . . . . . . . 4698 1 159 . 1 1 38 38 ILE C C 13 174.452 . . 1 . . . . . . . . 4698 1 160 . 1 1 38 38 ILE CA C 13 60.97 . . 1 . . . . . . . . 4698 1 161 . 1 1 38 38 ILE N N 15 121.889 . . 1 . . . . . . . . 4698 1 162 . 1 1 39 39 THR H H 1 8.315 . . 1 . . . . . . . . 4698 1 163 . 1 1 39 39 THR HA H 1 4.701 . . 1 . . . . . . . . 4698 1 164 . 1 1 39 39 THR C C 13 174.231 . . 1 . . . . . . . . 4698 1 165 . 1 1 39 39 THR CA C 13 60.996 . . 1 . . . . . . . . 4698 1 166 . 1 1 39 39 THR N N 15 125.015 . . 1 . . . . . . . . 4698 1 167 . 1 1 40 40 SER H H 1 8.942 . . 1 . . . . . . . . 4698 1 168 . 1 1 40 40 SER HA H 1 4.691 . . 1 . . . . . . . . 4698 1 169 . 1 1 40 40 SER C C 13 172.363 . . 1 . . . . . . . . 4698 1 170 . 1 1 40 40 SER CA C 13 56.297 . . 1 . . . . . . . . 4698 1 171 . 1 1 40 40 SER N N 15 122.28 . . 1 . . . . . . . . 4698 1 172 . 1 1 41 41 ILE H H 1 8.035 . . 1 . . . . . . . . 4698 1 173 . 1 1 41 41 ILE HA H 1 4.591 . . 1 . . . . . . . . 4698 1 174 . 1 1 41 41 ILE C C 13 177.592 . . 1 . . . . . . . . 4698 1 175 . 1 1 41 41 ILE CA C 13 60.288 . . 1 . . . . . . . . 4698 1 176 . 1 1 41 41 ILE N N 15 124.429 . . 1 . . . . . . . . 4698 1 177 . 1 1 42 42 CYS H H 1 8.779 . . 1 . . . . . . . . 4698 1 178 . 1 1 42 42 CYS HA H 1 4.665 . . 1 . . . . . . . . 4698 1 179 . 1 1 42 42 CYS C C 13 175.415 . . 1 . . . . . . . . 4698 1 180 . 1 1 42 42 CYS CA C 13 53.129 . . 1 . . . . . . . . 4698 1 181 . 1 1 42 42 CYS N N 15 127.749 . . 1 . . . . . . . . 4698 1 182 . 1 1 43 43 GLU H H 1 8.884 . . 1 . . . . . . . . 4698 1 183 . 1 1 43 43 GLU HA H 1 4.631 . . 1 . . . . . . . . 4698 1 184 . 1 1 43 43 GLU C C 13 176.843 . . 1 . . . . . . . . 4698 1 185 . 1 1 43 43 GLU CA C 13 59.083 . . 1 . . . . . . . . 4698 1 186 . 1 1 43 43 GLU N N 15 121.889 . . 1 . . . . . . . . 4698 1 187 . 1 1 44 44 LYS H H 1 7.499 . . 1 . . . . . . . . 4698 1 188 . 1 1 44 44 LYS HA H 1 3.911 . . 1 . . . . . . . . 4698 1 189 . 1 1 44 44 LYS C C 13 178.051 . . 1 . . . . . . . . 4698 1 190 . 1 1 44 44 LYS CA C 13 53.791 . . 1 . . . . . . . . 4698 1 191 . 1 1 44 44 LYS N N 15 114.662 . . 1 . . . . . . . . 4698 1 192 . 1 1 45 45 ASN H H 1 8.841 . . 1 . . . . . . . . 4698 1 193 . 1 1 45 45 ASN HA H 1 4.633 . . 1 . . . . . . . . 4698 1 194 . 1 1 45 45 ASN C C 13 174.506 . . 1 . . . . . . . . 4698 1 195 . 1 1 45 45 ASN CA C 13 55.218 . . 1 . . . . . . . . 4698 1 196 . 1 1 45 45 ASN N N 15 121.303 . . 1 . . . . . . . . 4698 1 197 . 1 1 46 46 ASN H H 1 8.078 . . 1 . . . . . . . . 4698 1 198 . 1 1 46 46 ASN HA H 1 4.53 . . 1 . . . . . . . . 4698 1 199 . 1 1 46 46 ASN C C 13 175.693 . . 1 . . . . . . . . 4698 1 200 . 1 1 46 46 ASN CA C 13 52.784 . . 1 . . . . . . . . 4698 1 201 . 1 1 46 46 ASN N N 15 113.294 . . 1 . . . . . . . . 4698 1 202 . 1 1 47 47 GLU H H 1 7.007 . . 1 . . . . . . . . 4698 1 203 . 1 1 47 47 GLU HA H 1 4.118 . . 1 . . . . . . . . 4698 1 204 . 1 1 47 47 GLU C C 13 176.141 . . 1 . . . . . . . . 4698 1 205 . 1 1 47 47 GLU CA C 13 57.258 . . 1 . . . . . . . . 4698 1 206 . 1 1 47 47 GLU N N 15 118.373 . . 1 . . . . . . . . 4698 1 207 . 1 1 48 48 VAL H H 1 8.804 . . 1 . . . . . . . . 4698 1 208 . 1 1 48 48 VAL HA H 1 4.581 . . 1 . . . . . . . . 4698 1 209 . 1 1 48 48 VAL C C 13 174.783 . . 1 . . . . . . . . 4698 1 210 . 1 1 48 48 VAL CA C 13 58.701 . . 1 . . . . . . . . 4698 1 211 . 1 1 48 48 VAL N N 15 114.076 . . 1 . . . . . . . . 4698 1 212 . 1 1 49 49 CYS H H 1 8.107 . . 1 . . . . . . . . 4698 1 213 . 1 1 49 49 CYS HA H 1 5.211 . . 1 . . . . . . . . 4698 1 214 . 1 1 49 49 CYS C C 13 175.29 . . 1 . . . . . . . . 4698 1 215 . 1 1 49 49 CYS CA C 13 52.591 . . 1 . . . . . . . . 4698 1 216 . 1 1 49 49 CYS N N 15 116.81 . . 1 . . . . . . . . 4698 1 217 . 1 1 50 50 ALA H H 1 8.834 . . 1 . . . . . . . . 4698 1 218 . 1 1 50 50 ALA HA H 1 5.25 . . 1 . . . . . . . . 4698 1 219 . 1 1 50 50 ALA C C 13 176.666 . . 1 . . . . . . . . 4698 1 220 . 1 1 50 50 ALA CA C 13 51.155 . . 1 . . . . . . . . 4698 1 221 . 1 1 50 50 ALA N N 15 120.717 . . 1 . . . . . . . . 4698 1 222 . 1 1 51 51 ALA H H 1 8.715 . . 1 . . . . . . . . 4698 1 223 . 1 1 51 51 ALA HA H 1 5.633 . . 1 . . . . . . . . 4698 1 224 . 1 1 51 51 ALA C C 13 175.523 . . 1 . . . . . . . . 4698 1 225 . 1 1 51 51 ALA CA C 13 51.057 . . 1 . . . . . . . . 4698 1 226 . 1 1 51 51 ALA N N 15 123.452 . . 1 . . . . . . . . 4698 1 227 . 1 1 52 52 VAL H H 1 8.687 . . 1 . . . . . . . . 4698 1 228 . 1 1 52 52 VAL HA H 1 4.795 . . 1 . . . . . . . . 4698 1 229 . 1 1 52 52 VAL C C 13 174.906 . . 1 . . . . . . . . 4698 1 230 . 1 1 52 52 VAL CA C 13 60.822 . . 1 . . . . . . . . 4698 1 231 . 1 1 52 52 VAL N N 15 117.982 . . 1 . . . . . . . . 4698 1 232 . 1 1 53 53 TRP H H 1 9.931 . . 1 . . . . . . . . 4698 1 233 . 1 1 53 53 TRP HA H 1 5.451 . . 1 . . . . . . . . 4698 1 234 . 1 1 53 53 TRP C C 13 174.652 . . 1 . . . . . . . . 4698 1 235 . 1 1 53 53 TRP CA C 13 56.25 . . 1 . . . . . . . . 4698 1 236 . 1 1 53 53 TRP N N 15 134.586 . . 1 . . . . . . . . 4698 1 237 . 1 1 54 54 ARG H H 1 8.285 . . 1 . . . . . . . . 4698 1 238 . 1 1 54 54 ARG HA H 1 4.956 . . 1 . . . . . . . . 4698 1 239 . 1 1 54 54 ARG C C 13 173.32 . . 1 . . . . . . . . 4698 1 240 . 1 1 54 54 ARG CA C 13 54.64 . . 1 . . . . . . . . 4698 1 241 . 1 1 54 54 ARG N N 15 126.328 . . 1 . . . . . . . . 4698 1 242 . 1 1 55 55 ARG H H 1 7.524 . . 1 . . . . . . . . 4698 1 243 . 1 1 55 55 ARG HA H 1 4.526 . . 1 . . . . . . . . 4698 1 244 . 1 1 55 55 ARG C C 13 174.705 . . 1 . . . . . . . . 4698 1 245 . 1 1 55 55 ARG CA C 13 54.786 . . 1 . . . . . . . . 4698 1 246 . 1 1 55 55 ARG N N 15 118.764 . . 1 . . . . . . . . 4698 1 247 . 1 1 56 56 ASN H H 1 8.302 . . 1 . . . . . . . . 4698 1 248 . 1 1 56 56 ASN HA H 1 4.804 . . 1 . . . . . . . . 4698 1 249 . 1 1 56 56 ASN C C 13 174.173 . . 1 . . . . . . . . 4698 1 250 . 1 1 56 56 ASN CA C 13 52.047 . . 1 . . . . . . . . 4698 1 251 . 1 1 56 56 ASN N N 15 126.187 . . 1 . . . . . . . . 4698 1 252 . 1 1 57 57 ASP H H 1 8.685 . . 1 . . . . . . . . 4698 1 253 . 1 1 57 57 ASP HA H 1 4.102 . . 1 . . . . . . . . 4698 1 254 . 1 1 57 57 ASP C C 13 175.716 . . 1 . . . . . . . . 4698 1 255 . 1 1 57 57 ASP CA C 13 56.635 . . 1 . . . . . . . . 4698 1 256 . 1 1 57 57 ASP N N 15 121.108 . . 1 . . . . . . . . 4698 1 257 . 1 1 58 58 GLU H H 1 8.286 . . 1 . . . . . . . . 4698 1 258 . 1 1 58 58 GLU HA H 1 4.158 . . 1 . . . . . . . . 4698 1 259 . 1 1 58 58 GLU C C 13 175.884 . . 1 . . . . . . . . 4698 1 260 . 1 1 58 58 GLU CA C 13 56.788 . . 1 . . . . . . . . 4698 1 261 . 1 1 58 58 GLU N N 15 118.764 . . 1 . . . . . . . . 4698 1 262 . 1 1 59 59 ASN H H 1 8.103 . . 1 . . . . . . . . 4698 1 263 . 1 1 59 59 ASN HA H 1 4.679 . . 1 . . . . . . . . 4698 1 264 . 1 1 59 59 ASN C C 13 173.088 . . 1 . . . . . . . . 4698 1 265 . 1 1 59 59 ASN CA C 13 52.762 . . 1 . . . . . . . . 4698 1 266 . 1 1 59 59 ASN N N 15 118.764 . . 1 . . . . . . . . 4698 1 267 . 1 1 60 60 VAL H H 1 8.082 . . 1 . . . . . . . . 4698 1 268 . 1 1 60 60 VAL HA H 1 4.591 . . 1 . . . . . . . . 4698 1 269 . 1 1 60 60 VAL C C 13 176.454 . . 1 . . . . . . . . 4698 1 270 . 1 1 60 60 VAL CA C 13 60.567 . . 1 . . . . . . . . 4698 1 271 . 1 1 60 60 VAL N N 15 125.015 . . 1 . . . . . . . . 4698 1 272 . 1 1 61 61 THR H H 1 8.615 . . 1 . . . . . . . . 4698 1 273 . 1 1 61 61 THR HA H 1 4.833 . . 1 . . . . . . . . 4698 1 274 . 1 1 61 61 THR C C 13 171.973 . . 1 . . . . . . . . 4698 1 275 . 1 1 61 61 THR CA C 13 58.91 . . 1 . . . . . . . . 4698 1 276 . 1 1 61 61 THR N N 15 116.81 . . 1 . . . . . . . . 4698 1 277 . 1 1 62 62 LEU H H 1 9.002 . . 1 . . . . . . . . 4698 1 278 . 1 1 62 62 LEU HA H 1 5.202 . . 1 . . . . . . . . 4698 1 279 . 1 1 62 62 LEU C C 13 174.402 . . 1 . . . . . . . . 4698 1 280 . 1 1 62 62 LEU CA C 13 53.008 . . 1 . . . . . . . . 4698 1 281 . 1 1 62 62 LEU N N 15 120.326 . . 1 . . . . . . . . 4698 1 282 . 1 1 63 63 GLU H H 1 9.171 . . 1 . . . . . . . . 4698 1 283 . 1 1 63 63 GLU HA H 1 5.258 . . 1 . . . . . . . . 4698 1 284 . 1 1 63 63 GLU C C 13 175.693 . . 1 . . . . . . . . 4698 1 285 . 1 1 63 63 GLU CA C 13 53.35 . . 1 . . . . . . . . 4698 1 286 . 1 1 63 63 GLU N N 15 130.484 . . 1 . . . . . . . . 4698 1 287 . 1 1 64 64 THR H H 1 7.917 . . 1 . . . . . . . . 4698 1 288 . 1 1 64 64 THR HA H 1 4.89 . . 1 . . . . . . . . 4698 1 289 . 1 1 64 64 THR C C 13 173.674 . . 1 . . . . . . . . 4698 1 290 . 1 1 64 64 THR CA C 13 58.555 . . 1 . . . . . . . . 4698 1 291 . 1 1 64 64 THR N N 15 116.224 . . 1 . . . . . . . . 4698 1 292 . 1 1 65 65 ILE H H 1 7.459 . . 1 . . . . . . . . 4698 1 293 . 1 1 65 65 ILE HA H 1 3.922 . . 1 . . . . . . . . 4698 1 294 . 1 1 65 65 ILE C C 13 176.253 . . 1 . . . . . . . . 4698 1 295 . 1 1 65 65 ILE CA C 13 59.939 . . 1 . . . . . . . . 4698 1 296 . 1 1 65 65 ILE N N 15 114.662 . . 1 . . . . . . . . 4698 1 297 . 1 1 66 66 CYS H H 1 5.054 . . 1 . . . . . . . . 4698 1 298 . 1 1 66 66 CYS HA H 1 5.116 . . 1 . . . . . . . . 4698 1 299 . 1 1 66 66 CYS C C 13 174.619 . . 1 . . . . . . . . 4698 1 300 . 1 1 66 66 CYS CA C 13 57.703 . . 1 . . . . . . . . 4698 1 301 . 1 1 66 66 CYS N N 15 115.284 . . 1 . . . . . . . . 4698 1 302 . 1 1 67 67 HIS H H 1 9.529 . . 1 . . . . . . . . 4698 1 303 . 1 1 67 67 HIS HA H 1 4.688 . . 1 . . . . . . . . 4698 1 304 . 1 1 67 67 HIS C C 13 172.833 . . 1 . . . . . . . . 4698 1 305 . 1 1 67 67 HIS CA C 13 55.537 . . 1 . . . . . . . . 4698 1 306 . 1 1 67 67 HIS N N 15 120.717 . . 1 . . . . . . . . 4698 1 307 . 1 1 68 68 ASP H H 1 7.675 . . 1 . . . . . . . . 4698 1 308 . 1 1 68 68 ASP HA H 1 4.407 . . 1 . . . . . . . . 4698 1 309 . 1 1 68 68 ASP C C 13 173.958 . . 1 . . . . . . . . 4698 1 310 . 1 1 68 68 ASP CA C 13 50.477 . . 1 . . . . . . . . 4698 1 311 . 1 1 68 68 ASP N N 15 129.703 . . 1 . . . . . . . . 4698 1 312 . 1 1 69 69 PRO C C 13 177.956 . . 1 . . . . . . . . 4698 1 313 . 1 1 69 69 PRO CA C 13 58.167 . . 1 . . . . . . . . 4698 1 314 . 1 1 70 70 GLN H H 1 8.264 . . 1 . . . . . . . . 4698 1 315 . 1 1 70 70 GLN HA H 1 4.093 . . 1 . . . . . . . . 4698 1 316 . 1 1 70 70 GLN C C 13 175.821 . . 1 . . . . . . . . 4698 1 317 . 1 1 70 70 GLN CA C 13 56.457 . . 1 . . . . . . . . 4698 1 318 . 1 1 70 70 GLN N N 15 118.373 . . 1 . . . . . . . . 4698 1 319 . 1 1 71 71 LYS H H 1 8.05 . . 1 . . . . . . . . 4698 1 320 . 1 1 71 71 LYS HA H 1 4.373 . . 1 . . . . . . . . 4698 1 321 . 1 1 71 71 LYS C C 13 177.379 . . 1 . . . . . . . . 4698 1 322 . 1 1 71 71 LYS CA C 13 54.177 . . 1 . . . . . . . . 4698 1 323 . 1 1 71 71 LYS N N 15 120.131 . . 1 . . . . . . . . 4698 1 324 . 1 1 72 72 ARG H H 1 8.693 . . 1 . . . . . . . . 4698 1 325 . 1 1 72 72 ARG HA H 1 4.625 . . 1 . . . . . . . . 4698 1 326 . 1 1 72 72 ARG C C 13 175.545 . . 1 . . . . . . . . 4698 1 327 . 1 1 72 72 ARG CA C 13 57.12 . . 1 . . . . . . . . 4698 1 328 . 1 1 72 72 ARG N N 15 125.015 . . 1 . . . . . . . . 4698 1 329 . 1 1 73 73 LEU H H 1 9.129 . . 1 . . . . . . . . 4698 1 330 . 1 1 73 73 LEU HA H 1 4.126 . . 1 . . . . . . . . 4698 1 331 . 1 1 73 73 LEU C C 13 174.69 . . 1 . . . . . . . . 4698 1 332 . 1 1 73 73 LEU CA C 13 53.254 . . 1 . . . . . . . . 4698 1 333 . 1 1 73 73 LEU N N 15 125.991 . . 1 . . . . . . . . 4698 1 334 . 1 1 74 74 TYR H H 1 8.69 . . 1 . . . . . . . . 4698 1 335 . 1 1 74 74 TYR HA H 1 3.832 . . 1 . . . . . . . . 4698 1 336 . 1 1 74 74 TYR C C 13 175.429 . . 1 . . . . . . . . 4698 1 337 . 1 1 74 74 TYR CA C 13 59.194 . . 1 . . . . . . . . 4698 1 338 . 1 1 74 74 TYR N N 15 124.424 . . 1 . . . . . . . . 4698 1 339 . 1 1 75 75 GLY H H 1 7.985 . . 1 . . . . . . . . 4698 1 340 . 1 1 75 75 GLY HA2 H 1 3.212 . . 2 . . . . . . . . 4698 1 341 . 1 1 75 75 GLY HA3 H 1 3.921 . . 2 . . . . . . . . 4698 1 342 . 1 1 75 75 GLY C C 13 174.407 . . 1 . . . . . . . . 4698 1 343 . 1 1 75 75 GLY CA C 13 44.595 . . 1 . . . . . . . . 4698 1 344 . 1 1 75 75 GLY N N 15 100.402 . . 1 . . . . . . . . 4698 1 345 . 1 1 76 76 HIS H H 1 7.842 . . 1 . . . . . . . . 4698 1 346 . 1 1 76 76 HIS HA H 1 4.59 . . 1 . . . . . . . . 4698 1 347 . 1 1 76 76 HIS C C 13 174.4 . . 1 . . . . . . . . 4698 1 348 . 1 1 76 76 HIS CA C 13 55.316 . . 1 . . . . . . . . 4698 1 349 . 1 1 76 76 HIS N N 15 121.303 . . 1 . . . . . . . . 4698 1 350 . 1 1 77 77 MET H H 1 8.764 . . 1 . . . . . . . . 4698 1 351 . 1 1 77 77 MET HA H 1 4.239 . . 1 . . . . . . . . 4698 1 352 . 1 1 77 77 MET C C 13 176.636 . . 1 . . . . . . . . 4698 1 353 . 1 1 77 77 MET CA C 13 52.9 . . 1 . . . . . . . . 4698 1 354 . 1 1 77 77 MET N N 15 121.498 . . 1 . . . . . . . . 4698 1 355 . 1 1 78 78 LEU H H 1 9.161 . . 1 . . . . . . . . 4698 1 356 . 1 1 78 78 LEU HA H 1 4.166 . . 1 . . . . . . . . 4698 1 357 . 1 1 78 78 LEU C C 13 177.34 . . 1 . . . . . . . . 4698 1 358 . 1 1 78 78 LEU CA C 13 54.795 . . 1 . . . . . . . . 4698 1 359 . 1 1 78 78 LEU N N 15 127.359 . . 1 . . . . . . . . 4698 1 360 . 1 1 79 79 ASP H H 1 8.117 . . 1 . . . . . . . . 4698 1 361 . 1 1 79 79 ASP HA H 1 4.582 . . 1 . . . . . . . . 4698 1 362 . 1 1 79 79 ASP C C 13 176.232 . . 1 . . . . . . . . 4698 1 363 . 1 1 79 79 ASP CA C 13 53.322 . . 1 . . . . . . . . 4698 1 364 . 1 1 79 79 ASP N N 15 121.889 . . 1 . . . . . . . . 4698 1 365 . 1 1 80 80 ASP H H 1 8.437 . . 1 . . . . . . . . 4698 1 366 . 1 1 80 80 ASP HA H 1 4.573 . . 1 . . . . . . . . 4698 1 367 . 1 1 80 80 ASP C C 13 176.753 . . 1 . . . . . . . . 4698 1 368 . 1 1 80 80 ASP CA C 13 53.484 . . 1 . . . . . . . . 4698 1 369 . 1 1 80 80 ASP N N 15 119.74 . . 1 . . . . . . . . 4698 1 370 . 1 1 81 81 SER H H 1 7.758 . . 1 . . . . . . . . 4698 1 371 . 1 1 81 81 SER HA H 1 4.245 . . 1 . . . . . . . . 4698 1 372 . 1 1 81 81 SER C C 13 174.383 . . 1 . . . . . . . . 4698 1 373 . 1 1 81 81 SER CA C 13 59.999 . . 1 . . . . . . . . 4698 1 374 . 1 1 81 81 SER N N 15 114.857 . . 1 . . . . . . . . 4698 1 375 . 1 1 82 82 SER H H 1 8.143 . . 1 . . . . . . . . 4698 1 376 . 1 1 82 82 SER HA H 1 4.38 . . 1 . . . . . . . . 4698 1 377 . 1 1 82 82 SER CA C 13 58.049 . . 1 . . . . . . . . 4698 1 378 . 1 1 82 82 SER N N 15 115.638 . . 1 . . . . . . . . 4698 1 379 . 1 1 83 83 SER CA C 13 54.264 . . 1 . . . . . . . . 4698 1 380 . 1 1 84 84 GLU H H 1 8.703 . . 1 . . . . . . . . 4698 1 381 . 1 1 84 84 GLU HA H 1 4.25 . . 1 . . . . . . . . 4698 1 382 . 1 1 84 84 GLU C C 13 176.859 . . 1 . . . . . . . . 4698 1 383 . 1 1 84 84 GLU CA C 13 58.38 . . 1 . . . . . . . . 4698 1 384 . 1 1 84 84 GLU N N 15 123.452 . . 1 . . . . . . . . 4698 1 385 . 1 1 85 85 GLN H H 1 7.628 . . 1 . . . . . . . . 4698 1 386 . 1 1 85 85 GLN HA H 1 4.537 . . 1 . . . . . . . . 4698 1 387 . 1 1 85 85 GLN C C 13 173.569 . . 1 . . . . . . . . 4698 1 388 . 1 1 85 85 GLN CA C 13 53.901 . . 1 . . . . . . . . 4698 1 389 . 1 1 85 85 GLN N N 15 115.248 . . 1 . . . . . . . . 4698 1 390 . 1 1 86 86 CYS H H 1 9.176 . . 1 . . . . . . . . 4698 1 391 . 1 1 86 86 CYS N N 15 127.574 . . 1 . . . . . . . . 4698 1 392 . 1 1 89 89 LYS C C 13 175.407 . . 1 . . . . . . . . 4698 1 393 . 1 1 89 89 LYS CA C 13 54.264 . . 1 . . . . . . . . 4698 1 394 . 1 1 90 90 GLU H H 1 8.609 . . 1 . . . . . . . . 4698 1 395 . 1 1 90 90 GLU HA H 1 4.278 . . 1 . . . . . . . . 4698 1 396 . 1 1 90 90 GLU C C 13 175.965 . . 1 . . . . . . . . 4698 1 397 . 1 1 90 90 GLU CA C 13 56.705 . . 1 . . . . . . . . 4698 1 398 . 1 1 90 90 GLU N N 15 125.796 . . 1 . . . . . . . . 4698 1 399 . 1 1 91 91 LYS H H 1 8.293 . . 1 . . . . . . . . 4698 1 400 . 1 1 91 91 LYS HA H 1 4.325 . . 1 . . . . . . . . 4698 1 401 . 1 1 91 91 LYS C C 13 175.155 . . 1 . . . . . . . . 4698 1 402 . 1 1 91 91 LYS CA C 13 51.727 . . 1 . . . . . . . . 4698 1 403 . 1 1 91 91 LYS N N 15 125.405 . . 1 . . . . . . . . 4698 1 404 . 1 1 92 92 LYS H H 1 8.224 . . 1 . . . . . . . . 4698 1 405 . 1 1 92 92 LYS HA H 1 4.109 . . 1 . . . . . . . . 4698 1 406 . 1 1 92 92 LYS C C 13 175.344 . . 1 . . . . . . . . 4698 1 407 . 1 1 92 92 LYS CA C 13 56.813 . . 1 . . . . . . . . 4698 1 408 . 1 1 92 92 LYS N N 15 123.257 . . 1 . . . . . . . . 4698 1 409 . 1 1 93 93 ASP H H 1 8.828 . . 1 . . . . . . . . 4698 1 410 . 1 1 93 93 ASP HA H 1 4.86 . . 1 . . . . . . . . 4698 1 411 . 1 1 93 93 ASP C C 13 175.707 . . 1 . . . . . . . . 4698 1 412 . 1 1 93 93 ASP CA C 13 53.334 . . 1 . . . . . . . . 4698 1 413 . 1 1 93 93 ASP N N 15 127.163 . . 1 . . . . . . . . 4698 1 414 . 1 1 94 94 ASP H H 1 8.414 . . 1 . . . . . . . . 4698 1 415 . 1 1 94 94 ASP HA H 1 4.413 . . 1 . . . . . . . . 4698 1 416 . 1 1 94 94 ASP C C 13 177.013 . . 1 . . . . . . . . 4698 1 417 . 1 1 94 94 ASP CA C 13 55.714 . . 1 . . . . . . . . 4698 1 418 . 1 1 94 94 ASP N N 15 123.647 . . 1 . . . . . . . . 4698 1 419 . 1 1 95 95 GLY H H 1 8.403 . . 1 . . . . . . . . 4698 1 420 . 1 1 95 95 GLY HA2 H 1 3.595 . . 2 . . . . . . . . 4698 1 421 . 1 1 95 95 GLY HA3 H 1 4.003 . . 2 . . . . . . . . 4698 1 422 . 1 1 95 95 GLY C C 13 173.855 . . 1 . . . . . . . . 4698 1 423 . 1 1 95 95 GLY CA C 13 45.25 . . 1 . . . . . . . . 4698 1 424 . 1 1 95 95 GLY N N 15 108.411 . . 1 . . . . . . . . 4698 1 425 . 1 1 96 96 GLY H H 1 7.325 . . 1 . . . . . . . . 4698 1 426 . 1 1 96 96 GLY HA2 H 1 3.873 . . 2 . . . . . . . . 4698 1 427 . 1 1 96 96 GLY HA3 H 1 4.288 . . 2 . . . . . . . . 4698 1 428 . 1 1 96 96 GLY C C 13 172.537 . . 1 . . . . . . . . 4698 1 429 . 1 1 96 96 GLY CA C 13 44.78 . . 1 . . . . . . . . 4698 1 430 . 1 1 96 96 GLY N N 15 108.411 . . 1 . . . . . . . . 4698 1 431 . 1 1 97 97 LEU H H 1 8.284 . . 1 . . . . . . . . 4698 1 432 . 1 1 97 97 LEU HA H 1 4.801 . . 1 . . . . . . . . 4698 1 433 . 1 1 97 97 LEU C C 13 177.945 . . 1 . . . . . . . . 4698 1 434 . 1 1 97 97 LEU CA C 13 54.36 . . 1 . . . . . . . . 4698 1 435 . 1 1 97 97 LEU N N 15 120.326 . . 1 . . . . . . . . 4698 1 436 . 1 1 98 98 MET H H 1 9.04 . . 1 . . . . . . . . 4698 1 437 . 1 1 98 98 MET HA H 1 5.431 . . 1 . . . . . . . . 4698 1 438 . 1 1 98 98 MET C C 13 172.837 . . 1 . . . . . . . . 4698 1 439 . 1 1 98 98 MET CA C 13 55.532 . . 1 . . . . . . . . 4698 1 440 . 1 1 98 98 MET N N 15 125.21 . . 1 . . . . . . . . 4698 1 441 . 1 1 99 99 PHE H H 1 9.82 . . 1 . . . . . . . . 4698 1 442 . 1 1 99 99 PHE HA H 1 5.308 . . 1 . . . . . . . . 4698 1 443 . 1 1 99 99 PHE C C 13 173.944 . . 1 . . . . . . . . 4698 1 444 . 1 1 99 99 PHE CA C 13 55.413 . . 1 . . . . . . . . 4698 1 445 . 1 1 99 99 PHE N N 15 126.968 . . 1 . . . . . . . . 4698 1 446 . 1 1 100 100 MET H H 1 8.85 . . 1 . . . . . . . . 4698 1 447 . 1 1 100 100 MET HA H 1 5.503 . . 1 . . . . . . . . 4698 1 448 . 1 1 100 100 MET C C 13 175.434 . . 1 . . . . . . . . 4698 1 449 . 1 1 100 100 MET CA C 13 54.649 . . 1 . . . . . . . . 4698 1 450 . 1 1 100 100 MET N N 15 117.396 . . 1 . . . . . . . . 4698 1 451 . 1 1 101 101 CYS H H 1 8.772 . . 1 . . . . . . . . 4698 1 452 . 1 1 101 101 CYS HA H 1 4.926 . . 1 . . . . . . . . 4698 1 453 . 1 1 101 101 CYS C C 13 170.804 . . 1 . . . . . . . . 4698 1 454 . 1 1 101 101 CYS CA C 13 54.048 . . 1 . . . . . . . . 4698 1 455 . 1 1 101 101 CYS N N 15 117.006 . . 1 . . . . . . . . 4698 1 456 . 1 1 102 102 SER H H 1 8.72 . . 1 . . . . . . . . 4698 1 457 . 1 1 102 102 SER HA H 1 5.339 . . 1 . . . . . . . . 4698 1 458 . 1 1 102 102 SER C C 13 172.018 . . 1 . . . . . . . . 4698 1 459 . 1 1 102 102 SER CA C 13 57.34 . . 1 . . . . . . . . 4698 1 460 . 1 1 102 102 SER N N 15 114.857 . . 1 . . . . . . . . 4698 1 461 . 1 1 103 103 CYS H H 1 8.945 . . 1 . . . . . . . . 4698 1 462 . 1 1 103 103 CYS HA H 1 5.304 . . 1 . . . . . . . . 4698 1 463 . 1 1 103 103 CYS C C 13 173.876 . . 1 . . . . . . . . 4698 1 464 . 1 1 103 103 CYS CA C 13 54.449 . . 1 . . . . . . . . 4698 1 465 . 1 1 103 103 CYS N N 15 113.294 . . 1 . . . . . . . . 4698 1 466 . 1 1 104 104 THR H H 1 8.631 . . 1 . . . . . . . . 4698 1 467 . 1 1 104 104 THR HA H 1 4.355 . . 1 . . . . . . . . 4698 1 468 . 1 1 104 104 THR C C 13 175.045 . . 1 . . . . . . . . 4698 1 469 . 1 1 104 104 THR CA C 13 61.412 . . 1 . . . . . . . . 4698 1 470 . 1 1 104 104 THR N N 15 109.583 . . 1 . . . . . . . . 4698 1 471 . 1 1 105 105 GLY H H 1 7.791 . . 1 . . . . . . . . 4698 1 472 . 1 1 105 105 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 4698 1 473 . 1 1 105 105 GLY HA3 H 1 3.999 . . 2 . . . . . . . . 4698 1 474 . 1 1 105 105 GLY C C 13 173.629 . . 1 . . . . . . . . 4698 1 475 . 1 1 105 105 GLY CA C 13 45.237 . . 1 . . . . . . . . 4698 1 476 . 1 1 105 105 GLY N N 15 113.88 . . 1 . . . . . . . . 4698 1 477 . 1 1 106 106 GLU H H 1 8.561 . . 1 . . . . . . . . 4698 1 478 . 1 1 106 106 GLU HA H 1 4.225 . . 1 . . . . . . . . 4698 1 479 . 1 1 106 106 GLU C C 13 177.942 . . 1 . . . . . . . . 4698 1 480 . 1 1 106 106 GLU CA C 13 58.084 . . 1 . . . . . . . . 4698 1 481 . 1 1 106 106 GLU N N 15 124.038 . . 1 . . . . . . . . 4698 1 482 . 1 1 107 107 GLU H H 1 9.412 . . 1 . . . . . . . . 4698 1 483 . 1 1 107 107 GLU HA H 1 3.43 . . 1 . . . . . . . . 4698 1 484 . 1 1 107 107 GLU C C 13 177.484 . . 1 . . . . . . . . 4698 1 485 . 1 1 107 107 GLU CA C 13 58.148 . . 1 . . . . . . . . 4698 1 486 . 1 1 107 107 GLU N N 15 120.326 . . 1 . . . . . . . . 4698 1 487 . 1 1 108 108 CYS H H 1 7.851 . . 1 . . . . . . . . 4698 1 488 . 1 1 108 108 CYS HA H 1 4.214 . . 1 . . . . . . . . 4698 1 489 . 1 1 108 108 CYS C C 13 174.162 . . 1 . . . . . . . . 4698 1 490 . 1 1 108 108 CYS CA C 13 58.921 . . 1 . . . . . . . . 4698 1 491 . 1 1 108 108 CYS N N 15 117.006 . . 1 . . . . . . . . 4698 1 492 . 1 1 109 109 ASN H H 1 7.938 . . 1 . . . . . . . . 4698 1 493 . 1 1 109 109 ASN HA H 1 4.066 . . 1 . . . . . . . . 4698 1 494 . 1 1 109 109 ASN C C 13 170.98 . . 1 . . . . . . . . 4698 1 495 . 1 1 109 109 ASN CA C 13 52.413 . . 1 . . . . . . . . 4698 1 496 . 1 1 109 109 ASN N N 15 116.81 . . 1 . . . . . . . . 4698 1 497 . 1 1 110 110 ASP H H 1 7.436 . . 1 . . . . . . . . 4698 1 498 . 1 1 110 110 ASP HA H 1 4.497 . . 1 . . . . . . . . 4698 1 499 . 1 1 110 110 ASP C C 13 175.424 . . 1 . . . . . . . . 4698 1 500 . 1 1 110 110 ASP CA C 13 54.709 . . 1 . . . . . . . . 4698 1 501 . 1 1 110 110 ASP N N 15 111.146 . . 1 . . . . . . . . 4698 1 502 . 1 1 111 111 VAL H H 1 6.926 . . 1 . . . . . . . . 4698 1 503 . 1 1 111 111 VAL HA H 1 4.222 . . 1 . . . . . . . . 4698 1 504 . 1 1 111 111 VAL C C 13 173.33 . . 1 . . . . . . . . 4698 1 505 . 1 1 111 111 VAL CA C 13 61.557 . . 1 . . . . . . . . 4698 1 506 . 1 1 111 111 VAL N N 15 116.029 . . 1 . . . . . . . . 4698 1 507 . 1 1 112 112 LEU H H 1 8.589 . . 1 . . . . . . . . 4698 1 508 . 1 1 112 112 LEU HA H 1 4.615 . . 1 . . . . . . . . 4698 1 509 . 1 1 112 112 LEU C C 13 175.109 . . 1 . . . . . . . . 4698 1 510 . 1 1 112 112 LEU CA C 13 52.983 . . 1 . . . . . . . . 4698 1 511 . 1 1 112 112 LEU N N 15 127.749 . . 1 . . . . . . . . 4698 1 512 . 1 1 113 113 ILE H H 1 8.029 . . 1 . . . . . . . . 4698 1 513 . 1 1 113 113 ILE HA H 1 4.004 . . 1 . . . . . . . . 4698 1 514 . 1 1 113 113 ILE C C 13 175.23 . . 1 . . . . . . . . 4698 1 515 . 1 1 113 113 ILE CA C 13 60.647 . . 1 . . . . . . . . 4698 1 516 . 1 1 113 113 ILE N N 15 123.257 . . 1 . . . . . . . . 4698 1 517 . 1 1 114 114 PHE H H 1 8.601 . . 1 . . . . . . . . 4698 1 518 . 1 1 114 114 PHE HA H 1 4.6 . . 1 . . . . . . . . 4698 1 519 . 1 1 114 114 PHE C C 13 175.977 . . 1 . . . . . . . . 4698 1 520 . 1 1 114 114 PHE CA C 13 58.291 . . 1 . . . . . . . . 4698 1 521 . 1 1 114 114 PHE N N 15 126.187 . . 1 . . . . . . . . 4698 1 522 . 1 1 115 115 SER H H 1 7.966 . . 1 . . . . . . . . 4698 1 523 . 1 1 115 115 SER HA H 1 4.335 . . 1 . . . . . . . . 4698 1 524 . 1 1 115 115 SER C C 13 173.262 . . 1 . . . . . . . . 4698 1 525 . 1 1 115 115 SER CA C 13 57.59 . . 1 . . . . . . . . 4698 1 526 . 1 1 115 115 SER N N 15 115.638 . . 1 . . . . . . . . 4698 1 527 . 1 1 116 116 ALA H H 1 8.285 . . 1 . . . . . . . . 4698 1 528 . 1 1 116 116 ALA HA H 1 4.224 . . 1 . . . . . . . . 4698 1 529 . 1 1 116 116 ALA C C 13 177.432 . . 1 . . . . . . . . 4698 1 530 . 1 1 116 116 ALA CA C 13 51.894 . . 1 . . . . . . . . 4698 1 531 . 1 1 116 116 ALA N N 15 126.382 . . 1 . . . . . . . . 4698 1 532 . 1 1 117 117 ILE H H 1 7.987 . . 1 . . . . . . . . 4698 1 533 . 1 1 117 117 ILE HA H 1 3.97 . . 1 . . . . . . . . 4698 1 534 . 1 1 117 117 ILE C C 13 175.747 . . 1 . . . . . . . . 4698 1 535 . 1 1 117 117 ILE CA C 13 60.596 . . 1 . . . . . . . . 4698 1 536 . 1 1 117 117 ILE N N 15 121.108 . . 1 . . . . . . . . 4698 1 537 . 1 1 118 118 ASP H H 1 8.37 . . 1 . . . . . . . . 4698 1 538 . 1 1 118 118 ASP HA H 1 4.74 . . 1 . . . . . . . . 4698 1 539 . 1 1 118 118 ASP C C 13 174.873 . . 1 . . . . . . . . 4698 1 540 . 1 1 118 118 ASP CA C 13 51.419 . . 1 . . . . . . . . 4698 1 541 . 1 1 118 118 ASP N N 15 126.773 . . 1 . . . . . . . . 4698 1 542 . 1 1 119 119 PRO C C 13 176.934 . . 1 . . . . . . . . 4698 1 543 . 1 1 119 119 PRO CA C 13 63.054 . . 1 . . . . . . . . 4698 1 544 . 1 1 120 120 HIS H H 1 8.419 . . 1 . . . . . . . . 4698 1 545 . 1 1 120 120 HIS HA H 1 4.461 . . 1 . . . . . . . . 4698 1 546 . 1 1 120 120 HIS C C 13 174.176 . . 1 . . . . . . . . 4698 1 547 . 1 1 120 120 HIS CA C 13 55.149 . . 1 . . . . . . . . 4698 1 548 . 1 1 120 120 HIS N N 15 118.375 . . 1 . . . . . . . . 4698 1 549 . 1 1 121 121 LYS H H 1 7.881 . . 1 . . . . . . . . 4698 1 550 . 1 1 121 121 LYS HA H 1 4.446 . . 1 . . . . . . . . 4698 1 551 . 1 1 121 121 LYS C C 13 173.441 . . 1 . . . . . . . . 4698 1 552 . 1 1 121 121 LYS CA C 13 53.843 . . 1 . . . . . . . . 4698 1 553 . 1 1 121 121 LYS N N 15 124.72 . . 1 . . . . . . . . 4698 1 stop_ save_