data_4411 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4411 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for Transforming Growth Factor beta ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-09-16 _Entry.Accession_date 1999-09-21 _Entry.Last_release_date 2000-03-17 _Entry.Original_release_date 2000-03-17 _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 Eduard Bocharov . V. . 4411 2 Marcel Blommers . J.J. . 4411 3 J. Kuhla . . . 4411 4 T. Arvinte . . . 4411 5 R. Burgi . . . 4411 6 Alexandr Arseniev . S. . 4411 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4411 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 90 4411 '1H chemical shifts' 196 4411 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 . . 2000-03-17 1999-09-16 original author . 4411 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4411 _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: Sequence-specific 1H and 15N assignment and secondary structure of transforming growth factor beta3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 179 _Citation.Page_last 180 _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 Eduard Bocharov . V. . 4411 1 2 Marcel Blommers . J.J. . 4411 1 3 J. Kuhla . . . 4411 1 4 T. Arvinte . . . 4411 1 5 R. Burgi . . . 4411 1 6 Alexandr Arseniev . S. . 4411 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cytokine 4411 1 'NMR assignment' 4411 1 'secondary structure' 4411 1 TGF-beta3 4411 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 4411 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels C., Xia T.-H., Billeter M., Guntert P., Wuthrich K. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. J. Biomol. NMR (1995) 6, 1-10. ; _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_TGF-beta3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TGF-beta3 _Assembly.Entry_ID 4411 _Assembly.ID 1 _Assembly.Name 'transforming growth factor beta3' _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 dimer 4411 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 'TGF-beta3 subunit A' 1 $TGF-beta3 . . . native . . 1 . . 4411 1 2 'TGF-beta3 subunit B' 1 $TGF-beta3 . . . native . . 1 . . 4411 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . 4411 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . 4411 1 3 disulfide single . 1 . 1 CYS 44 44 SG . 1 . 1 CYS 109 109 SG . . . . . . . . . . 4411 1 4 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 111 111 SG . . . . . . . . . . 4411 1 5 disulfide single . 2 . 1 CYS 7 7 SG . 2 . 1 CYS 16 16 SG . . . . . . . . . . 4411 1 6 disulfide single . 2 . 1 CYS 15 15 SG . 2 . 1 CYS 78 78 SG . . . . . . . . . . 4411 1 7 disulfide single . 2 . 1 CYS 44 44 SG . 2 . 1 CYS 109 109 SG . . . . . . . . . . 4411 1 8 disulfide single . 2 . 1 CYS 48 48 SG . 2 . 1 CYS 111 111 SG . . . . . . . . . . 4411 1 9 disulfide single . 1 . 1 CYS 77 77 SG . 2 . 1 CYS 77 77 SG . . . . . . . . . . 4411 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TGF-beta3 abbreviation 4411 1 'transforming growth factor beta3' system 4411 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'TGF-beta3 is citokine that regulate proliferation and differentiation of many different cell types.' 4411 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TGF-beta3 _Entity.Sf_category entity _Entity.Sf_framecode TGF-beta3 _Entity.Entry_ID 4411 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human transforming growth factor beta3' _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 ; ALDTNYCFRNLEENCCVRPL YIDFRQDLGWKWVHEPKGYY ANFCSGPCPYLRSADTTHST VLGLYNTLNPEASASPCCVP QDLEPLTILYYVGRTPKVEQ LSNMVVKSCKCS ; _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 112 _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 12706 _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 1KTZ . "Crystal Structure Of The Human Tgf-Beta Type Ii Receptor Extracellular Domain In Complex With Tgf-Beta3" . . . . . 100.00 112 100.00 100.00 1.28e-76 . . . . 4411 1 2 no PDB 1TGJ . "Human Transforming Growth Factor-beta 3, Crystallized From Dioxane" . . . . . 100.00 112 100.00 100.00 1.28e-76 . . . . 4411 1 3 no PDB 1TGK . "Human Transforming Growth Factor Beta 3, Crystallized From Peg 4000" . . . . . 100.00 112 100.00 100.00 1.28e-76 . . . . 4411 1 4 no PDB 2PJY . "Structural Basis For Cooperative Assembly Of The Tgf-Beta Signaling Complex" . . . . . 100.00 112 100.00 100.00 1.28e-76 . . . . 4411 1 5 no PDB 3EO1 . "Structure Of The Fab Fragment Of Gc-1008 In Complex With Transforming Growth Factor-Beta 3" . . . . . 100.00 112 100.00 100.00 1.28e-76 . . . . 4411 1 6 no DBJ BAE21215 . "unnamed protein product [Mus musculus]" . . . . . 100.00 412 100.00 100.00 5.38e-76 . . . . 4411 1 7 no DBJ BAE26357 . "unnamed protein product [Mus musculus]" . . . . . 100.00 412 100.00 100.00 5.38e-76 . . . . 4411 1 8 no DBJ BAE28523 . "unnamed protein product [Mus musculus]" . . . . . 100.00 412 100.00 100.00 5.61e-76 . . . . 4411 1 9 no DBJ BAE36326 . "unnamed protein product [Mus musculus]" . . . . . 100.00 197 100.00 100.00 1.50e-76 . . . . 4411 1 10 no DBJ BAE36968 . "unnamed protein product [Mus musculus]" . . . . . 100.00 351 100.00 100.00 5.02e-76 . . . . 4411 1 11 no EMBL CAA32362 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 8.27e-76 . . . . 4411 1 12 no EMBL CAA32363 . "unnamed protein product [Sus scrofa]" . . . . . 100.00 409 98.21 99.11 2.47e-74 . . . . 4411 1 13 no EMBL CAA33024 . "ransforming growth factor-beta 3 [Homo sapiens]" . . . . . 100.00 410 100.00 100.00 9.32e-76 . . . . 4411 1 14 no EMBL CAR70088 . "TGF-beta3 [synthetic construct]" . . . . . 100.00 113 100.00 100.00 9.92e-77 . . . . 4411 1 15 no GB AAA40422 . "transforming growth factor beta-3 (TGF beta-3) precursor (start site 611 could be 368 or 477) [Mus musculus]" . . . . . 100.00 410 100.00 100.00 5.44e-76 . . . . 4411 1 16 no GB AAA49089 . "transforming growth factor beta precursor [Gallus gallus]" . . . . . 100.00 412 99.11 100.00 1.65e-75 . . . . 4411 1 17 no GB AAA61161 . "transforming growth factor-beta3 [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 8.27e-76 . . . . 4411 1 18 no GB AAA67915 . "transforming growth factor beta-3 [Rattus norvegicus]" . . . . . 100.00 412 99.11 100.00 1.76e-75 . . . . 4411 1 19 no GB AAC79727 . "transforming growth factor-beta 3 [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 8.27e-76 . . . . 4411 1 20 no REF NP_001094653 . "transforming growth factor beta-3 [Bos taurus]" . . . . . 100.00 452 99.11 100.00 8.71e-75 . . . . 4411 1 21 no REF NP_001244404 . "transforming growth factor beta-3 precursor [Macaca mulatta]" . . . . . 100.00 412 100.00 100.00 8.36e-76 . . . . 4411 1 22 no REF NP_003230 . "transforming growth factor beta-3 preproprotein [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 8.27e-76 . . . . 4411 1 23 no REF NP_033394 . "transforming growth factor beta-3 precursor [Mus musculus]" . . . . . 100.00 412 100.00 100.00 5.38e-76 . . . . 4411 1 24 no REF NP_037306 . "transforming growth factor beta-3 preproprotein [Rattus norvegicus]" . . . . . 100.00 412 99.11 100.00 1.76e-75 . . . . 4411 1 25 no SP P10600 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 412 100.00 100.00 8.27e-76 . . . . 4411 1 26 no SP P15203 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 409 98.21 99.11 2.47e-74 . . . . 4411 1 27 no SP P17125 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 410 100.00 100.00 5.44e-76 . . . . 4411 1 28 no SP Q07258 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 412 99.11 100.00 1.76e-75 . . . . 4411 1 29 no TPG DAA25016 . "TPA: transforming growth factor beta-3 [Bos taurus]" . . . . . 100.00 452 99.11 100.00 8.71e-75 . . . . 4411 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human transforming growth factor beta3' common 4411 1 TGF-beta3 abbreviation 4411 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 . 4411 1 2 . LEU . 4411 1 3 . ASP . 4411 1 4 . THR . 4411 1 5 . ASN . 4411 1 6 . TYR . 4411 1 7 . CYS . 4411 1 8 . PHE . 4411 1 9 . ARG . 4411 1 10 . ASN . 4411 1 11 . LEU . 4411 1 12 . GLU . 4411 1 13 . GLU . 4411 1 14 . ASN . 4411 1 15 . CYS . 4411 1 16 . CYS . 4411 1 17 . VAL . 4411 1 18 . ARG . 4411 1 19 . PRO . 4411 1 20 . LEU . 4411 1 21 . TYR . 4411 1 22 . ILE . 4411 1 23 . ASP . 4411 1 24 . PHE . 4411 1 25 . ARG . 4411 1 26 . GLN . 4411 1 27 . ASP . 4411 1 28 . LEU . 4411 1 29 . GLY . 4411 1 30 . TRP . 4411 1 31 . LYS . 4411 1 32 . TRP . 4411 1 33 . VAL . 4411 1 34 . HIS . 4411 1 35 . GLU . 4411 1 36 . PRO . 4411 1 37 . LYS . 4411 1 38 . GLY . 4411 1 39 . TYR . 4411 1 40 . TYR . 4411 1 41 . ALA . 4411 1 42 . ASN . 4411 1 43 . PHE . 4411 1 44 . CYS . 4411 1 45 . SER . 4411 1 46 . GLY . 4411 1 47 . PRO . 4411 1 48 . CYS . 4411 1 49 . PRO . 4411 1 50 . TYR . 4411 1 51 . LEU . 4411 1 52 . ARG . 4411 1 53 . SER . 4411 1 54 . ALA . 4411 1 55 . ASP . 4411 1 56 . THR . 4411 1 57 . THR . 4411 1 58 . HIS . 4411 1 59 . SER . 4411 1 60 . THR . 4411 1 61 . VAL . 4411 1 62 . LEU . 4411 1 63 . GLY . 4411 1 64 . LEU . 4411 1 65 . TYR . 4411 1 66 . ASN . 4411 1 67 . THR . 4411 1 68 . LEU . 4411 1 69 . ASN . 4411 1 70 . PRO . 4411 1 71 . GLU . 4411 1 72 . ALA . 4411 1 73 . SER . 4411 1 74 . ALA . 4411 1 75 . SER . 4411 1 76 . PRO . 4411 1 77 . CYS . 4411 1 78 . CYS . 4411 1 79 . VAL . 4411 1 80 . PRO . 4411 1 81 . GLN . 4411 1 82 . ASP . 4411 1 83 . LEU . 4411 1 84 . GLU . 4411 1 85 . PRO . 4411 1 86 . LEU . 4411 1 87 . THR . 4411 1 88 . ILE . 4411 1 89 . LEU . 4411 1 90 . TYR . 4411 1 91 . TYR . 4411 1 92 . VAL . 4411 1 93 . GLY . 4411 1 94 . ARG . 4411 1 95 . THR . 4411 1 96 . PRO . 4411 1 97 . LYS . 4411 1 98 . VAL . 4411 1 99 . GLU . 4411 1 100 . GLN . 4411 1 101 . LEU . 4411 1 102 . SER . 4411 1 103 . ASN . 4411 1 104 . MET . 4411 1 105 . VAL . 4411 1 106 . VAL . 4411 1 107 . LYS . 4411 1 108 . SER . 4411 1 109 . CYS . 4411 1 110 . LYS . 4411 1 111 . CYS . 4411 1 112 . SER . 4411 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 4411 1 . LEU 2 2 4411 1 . ASP 3 3 4411 1 . THR 4 4 4411 1 . ASN 5 5 4411 1 . TYR 6 6 4411 1 . CYS 7 7 4411 1 . PHE 8 8 4411 1 . ARG 9 9 4411 1 . ASN 10 10 4411 1 . LEU 11 11 4411 1 . GLU 12 12 4411 1 . GLU 13 13 4411 1 . ASN 14 14 4411 1 . CYS 15 15 4411 1 . CYS 16 16 4411 1 . VAL 17 17 4411 1 . ARG 18 18 4411 1 . PRO 19 19 4411 1 . LEU 20 20 4411 1 . TYR 21 21 4411 1 . ILE 22 22 4411 1 . ASP 23 23 4411 1 . PHE 24 24 4411 1 . ARG 25 25 4411 1 . GLN 26 26 4411 1 . ASP 27 27 4411 1 . LEU 28 28 4411 1 . GLY 29 29 4411 1 . TRP 30 30 4411 1 . LYS 31 31 4411 1 . TRP 32 32 4411 1 . VAL 33 33 4411 1 . HIS 34 34 4411 1 . GLU 35 35 4411 1 . PRO 36 36 4411 1 . LYS 37 37 4411 1 . GLY 38 38 4411 1 . TYR 39 39 4411 1 . TYR 40 40 4411 1 . ALA 41 41 4411 1 . ASN 42 42 4411 1 . PHE 43 43 4411 1 . CYS 44 44 4411 1 . SER 45 45 4411 1 . GLY 46 46 4411 1 . PRO 47 47 4411 1 . CYS 48 48 4411 1 . PRO 49 49 4411 1 . TYR 50 50 4411 1 . LEU 51 51 4411 1 . ARG 52 52 4411 1 . SER 53 53 4411 1 . ALA 54 54 4411 1 . ASP 55 55 4411 1 . THR 56 56 4411 1 . THR 57 57 4411 1 . HIS 58 58 4411 1 . SER 59 59 4411 1 . THR 60 60 4411 1 . VAL 61 61 4411 1 . LEU 62 62 4411 1 . GLY 63 63 4411 1 . LEU 64 64 4411 1 . TYR 65 65 4411 1 . ASN 66 66 4411 1 . THR 67 67 4411 1 . LEU 68 68 4411 1 . ASN 69 69 4411 1 . PRO 70 70 4411 1 . GLU 71 71 4411 1 . ALA 72 72 4411 1 . SER 73 73 4411 1 . ALA 74 74 4411 1 . SER 75 75 4411 1 . PRO 76 76 4411 1 . CYS 77 77 4411 1 . CYS 78 78 4411 1 . VAL 79 79 4411 1 . PRO 80 80 4411 1 . GLN 81 81 4411 1 . ASP 82 82 4411 1 . LEU 83 83 4411 1 . GLU 84 84 4411 1 . PRO 85 85 4411 1 . LEU 86 86 4411 1 . THR 87 87 4411 1 . ILE 88 88 4411 1 . LEU 89 89 4411 1 . TYR 90 90 4411 1 . TYR 91 91 4411 1 . VAL 92 92 4411 1 . GLY 93 93 4411 1 . ARG 94 94 4411 1 . THR 95 95 4411 1 . PRO 96 96 4411 1 . LYS 97 97 4411 1 . VAL 98 98 4411 1 . GLU 99 99 4411 1 . GLN 100 100 4411 1 . LEU 101 101 4411 1 . SER 102 102 4411 1 . ASN 103 103 4411 1 . MET 104 104 4411 1 . VAL 105 105 4411 1 . VAL 106 106 4411 1 . LYS 107 107 4411 1 . SER 108 108 4411 1 . CYS 109 109 4411 1 . LYS 110 110 4411 1 . CYS 111 111 4411 1 . SER 112 112 4411 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 4411 _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 $TGF-beta3 . 9606 . . 'Homo Sapiens' human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . . . . 4411 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 4411 _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 $TGF-beta3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . . . . . . . . 4411 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4411 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The TGF-beta3 sample contains water mixture of 8% dioxane-d8 and 3% methanol-d3. ; _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 'human transforming growth factor beta3' '[U-95% 15N]' . . 1 $TGF-beta3 . . 1.0 . . mM . . . . 4411 1 2 dioxane-d8 . . . . . . . 8 . . % . . . . 4411 1 3 methanol-d3 . . . . . . . 3 . . % . . . . 4411 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4411 _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 2.90 0.05 n/a 4411 1 temperature 313 0.5 K 4411 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4411 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 4411 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 4411 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4411 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4411 _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 NMR_spectrometer Varian UNITY . 600 . . . 4411 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 4411 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4411 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4411 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4411 1 4 '1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4411 1 5 '1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4411 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4411 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4411 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4411 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4411 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4411 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4411 _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 1.0 . . . . . . . . . 4411 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4411 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4411 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 ; Several unassigned signals were observed in HSQC spectrum. 89% TGF-beta3 residues were identified in the proton and heteronuclear spectra. The assignment were hampered by poor chemical shift dispersion of resonances from flexible segments of the molecule and by exchange broadening. Sequence-specific assignments were not made for backbone resonances of residues 6-16,19,20,35 and 111. ; _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 '1H-15N HSQC' 1 $sample_1 . 4411 1 2 '1H-15N TOCSY-HSQC' 1 $sample_1 . 4411 1 3 '1H-15N NOESY-HSQC' 1 $sample_1 . 4411 1 4 '1H TOCSY' 1 $sample_1 . 4411 1 5 '1H NOESY' 1 $sample_1 . 4411 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 4.11 0.02 . 1 . . . . . . . . 4411 1 2 . 1 1 2 2 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 4411 1 3 . 1 1 2 2 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 4411 1 4 . 1 1 2 2 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 4411 1 5 . 1 1 3 3 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 4411 1 6 . 1 1 3 3 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 4411 1 7 . 1 1 3 3 ASP HA H 1 4.81 0.02 . 1 . . . . . . . . 4411 1 8 . 1 1 4 4 THR N N 15 114.5 0.1 . 1 . . . . . . . . 4411 1 9 . 1 1 4 4 THR H H 1 7.97 0.02 . 1 . . . . . . . . 4411 1 10 . 1 1 4 4 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 4411 1 11 . 1 1 5 5 ASN N N 15 121.0 0.1 . 1 . . . . . . . . 4411 1 12 . 1 1 5 5 ASN H H 1 8.18 0.02 . 1 . . . . . . . . 4411 1 13 . 1 1 5 5 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4411 1 14 . 1 1 16 16 CYS HA H 1 4.81 0.02 . 1 . . . . . . . . 4411 1 15 . 1 1 17 17 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 4411 1 16 . 1 1 17 17 VAL H H 1 7.78 0.02 . 1 . . . . . . . . 4411 1 17 . 1 1 17 17 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 4411 1 18 . 1 1 18 18 ARG N N 15 127.8 0.1 . 1 . . . . . . . . 4411 1 19 . 1 1 18 18 ARG H H 1 8.96 0.02 . 1 . . . . . . . . 4411 1 20 . 1 1 18 18 ARG HA H 1 4.63 0.02 . 1 . . . . . . . . 4411 1 21 . 1 1 20 20 LEU HA H 1 4.55 0.02 . 1 . . . . . . . . 4411 1 22 . 1 1 21 21 TYR N N 15 131.2 0.1 . 1 . . . . . . . . 4411 1 23 . 1 1 21 21 TYR H H 1 8.99 0.02 . 1 . . . . . . . . 4411 1 24 . 1 1 21 21 TYR HA H 1 4.22 0.02 . 1 . . . . . . . . 4411 1 25 . 1 1 22 22 ILE N N 15 128.2 0.1 . 1 . . . . . . . . 4411 1 26 . 1 1 22 22 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 4411 1 27 . 1 1 22 22 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . 4411 1 28 . 1 1 23 23 ASP N N 15 118.2 0.1 . 1 . . . . . . . . 4411 1 29 . 1 1 23 23 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 4411 1 30 . 1 1 23 23 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 4411 1 31 . 1 1 24 24 PHE N N 15 125.5 0.1 . 1 . . . . . . . . 4411 1 32 . 1 1 24 24 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 4411 1 33 . 1 1 24 24 PHE HA H 1 3.97 0.02 . 1 . . . . . . . . 4411 1 34 . 1 1 25 25 ARG N N 15 118.8 0.1 . 1 . . . . . . . . 4411 1 35 . 1 1 25 25 ARG H H 1 8.74 0.02 . 1 . . . . . . . . 4411 1 36 . 1 1 25 25 ARG HA H 1 3.94 0.02 . 1 . . . . . . . . 4411 1 37 . 1 1 26 26 GLN N N 15 115.8 0.1 . 1 . . . . . . . . 4411 1 38 . 1 1 26 26 GLN H H 1 8.46 0.02 . 1 . . . . . . . . 4411 1 39 . 1 1 26 26 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 4411 1 40 . 1 1 27 27 ASP N N 15 113.9 0.1 . 1 . . . . . . . . 4411 1 41 . 1 1 27 27 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 4411 1 42 . 1 1 27 27 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . 4411 1 43 . 1 1 28 28 LEU N N 15 116.7 0.1 . 1 . . . . . . . . 4411 1 44 . 1 1 28 28 LEU H H 1 6.62 0.02 . 1 . . . . . . . . 4411 1 45 . 1 1 28 28 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4411 1 46 . 1 1 29 29 GLY N N 15 108.6 0.1 . 1 . . . . . . . . 4411 1 47 . 1 1 29 29 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 4411 1 48 . 1 1 29 29 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4411 1 49 . 1 1 29 29 GLY HA3 H 1 4.34 0.02 . 2 . . . . . . . . 4411 1 50 . 1 1 30 30 TRP N N 15 121.4 0.1 . 1 . . . . . . . . 4411 1 51 . 1 1 30 30 TRP H H 1 7.84 0.02 . 1 . . . . . . . . 4411 1 52 . 1 1 30 30 TRP HA H 1 4.81 0.02 . 1 . . . . . . . . 4411 1 53 . 1 1 30 30 TRP NE1 N 15 127.4 0.1 . 1 . . . . . . . . 4411 1 54 . 1 1 30 30 TRP HE1 H 1 10.15 0.02 . 1 . . . . . . . . 4411 1 55 . 1 1 31 31 LYS N N 15 121.5 0.1 . 1 . . . . . . . . 4411 1 56 . 1 1 31 31 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 4411 1 57 . 1 1 31 31 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 4411 1 58 . 1 1 32 32 TRP N N 15 114.3 0.1 . 1 . . . . . . . . 4411 1 59 . 1 1 32 32 TRP H H 1 7.18 0.02 . 1 . . . . . . . . 4411 1 60 . 1 1 32 32 TRP HA H 1 4.62 0.02 . 1 . . . . . . . . 4411 1 61 . 1 1 32 32 TRP NE1 N 15 128.7 0.1 . 1 . . . . . . . . 4411 1 62 . 1 1 32 32 TRP HE1 H 1 9.88 0.02 . 1 . . . . . . . . 4411 1 63 . 1 1 33 33 VAL N N 15 122.7 0.1 . 1 . . . . . . . . 4411 1 64 . 1 1 33 33 VAL H H 1 6.80 0.02 . 1 . . . . . . . . 4411 1 65 . 1 1 33 33 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 4411 1 66 . 1 1 34 34 HIS N N 15 128.9 0.1 . 1 . . . . . . . . 4411 1 67 . 1 1 34 34 HIS H H 1 9.06 0.02 . 1 . . . . . . . . 4411 1 68 . 1 1 34 34 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 4411 1 69 . 1 1 35 35 GLU HA H 1 4.53 0.02 . 1 . . . . . . . . 4411 1 70 . 1 1 36 36 PRO HA H 1 5.06 0.02 . 1 . . . . . . . . 4411 1 71 . 1 1 37 37 LYS N N 15 116.2 0.1 . 1 . . . . . . . . 4411 1 72 . 1 1 37 37 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 4411 1 73 . 1 1 37 37 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4411 1 74 . 1 1 38 38 GLY N N 15 105.9 0.1 . 1 . . . . . . . . 4411 1 75 . 1 1 38 38 GLY H H 1 7.67 0.02 . 1 . . . . . . . . 4411 1 76 . 1 1 38 38 GLY HA2 H 1 3.37 0.02 . 2 . . . . . . . . 4411 1 77 . 1 1 38 38 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 4411 1 78 . 1 1 39 39 TYR N N 15 116.5 0.1 . 1 . . . . . . . . 4411 1 79 . 1 1 39 39 TYR H H 1 7.99 0.02 . 1 . . . . . . . . 4411 1 80 . 1 1 39 39 TYR HA H 1 4.71 0.02 . 1 . . . . . . . . 4411 1 81 . 1 1 40 40 TYR N N 15 120.1 0.1 . 1 . . . . . . . . 4411 1 82 . 1 1 40 40 TYR H H 1 8.62 0.02 . 1 . . . . . . . . 4411 1 83 . 1 1 40 40 TYR HA H 1 4.58 0.02 . 1 . . . . . . . . 4411 1 84 . 1 1 41 41 ALA N N 15 130.0 0.1 . 1 . . . . . . . . 4411 1 85 . 1 1 41 41 ALA H H 1 7.10 0.02 . 1 . . . . . . . . 4411 1 86 . 1 1 41 41 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 4411 1 87 . 1 1 42 42 ASN N N 15 105.0 0.1 . 1 . . . . . . . . 4411 1 88 . 1 1 42 42 ASN H H 1 7.85 0.02 . 1 . . . . . . . . 4411 1 89 . 1 1 42 42 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 4411 1 90 . 1 1 43 43 PHE N N 15 110.0 0.1 . 1 . . . . . . . . 4411 1 91 . 1 1 43 43 PHE H H 1 8.24 0.02 . 1 . . . . . . . . 4411 1 92 . 1 1 43 43 PHE HA H 1 4.81 0.02 . 1 . . . . . . . . 4411 1 93 . 1 1 44 44 CYS N N 15 118.3 0.1 . 1 . . . . . . . . 4411 1 94 . 1 1 44 44 CYS H H 1 8.87 0.02 . 1 . . . . . . . . 4411 1 95 . 1 1 44 44 CYS HA H 1 5.15 0.02 . 1 . . . . . . . . 4411 1 96 . 1 1 45 45 SER N N 15 114.9 0.1 . 1 . . . . . . . . 4411 1 97 . 1 1 45 45 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4411 1 98 . 1 1 45 45 SER HA H 1 4.73 0.02 . 1 . . . . . . . . 4411 1 99 . 1 1 46 46 GLY N N 15 115.6 0.1 . 1 . . . . . . . . 4411 1 100 . 1 1 46 46 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 4411 1 101 . 1 1 46 46 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4411 1 102 . 1 1 46 46 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 4411 1 103 . 1 1 47 47 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4411 1 104 . 1 1 48 48 CYS N N 15 117.7 0.1 . 1 . . . . . . . . 4411 1 105 . 1 1 48 48 CYS H H 1 8.09 0.02 . 1 . . . . . . . . 4411 1 106 . 1 1 48 48 CYS HA H 1 5.09 0.02 . 1 . . . . . . . . 4411 1 107 . 1 1 49 49 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 4411 1 108 . 1 1 50 50 TYR N N 15 120.3 0.1 . 1 . . . . . . . . 4411 1 109 . 1 1 50 50 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 4411 1 110 . 1 1 50 50 TYR HA H 1 4.41 0.02 . 1 . . . . . . . . 4411 1 111 . 1 1 51 51 LEU N N 15 124.9 0.1 . 1 . . . . . . . . 4411 1 112 . 1 1 51 51 LEU H H 1 7.75 0.02 . 1 . . . . . . . . 4411 1 113 . 1 1 51 51 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4411 1 114 . 1 1 52 52 ARG N N 15 121.9 0.1 . 1 . . . . . . . . 4411 1 115 . 1 1 52 52 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 4411 1 116 . 1 1 52 52 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4411 1 117 . 1 1 53 53 SER N N 15 116.1 0.1 . 1 . . . . . . . . 4411 1 118 . 1 1 53 53 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4411 1 119 . 1 1 53 53 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 4411 1 120 . 1 1 54 54 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 4411 1 121 . 1 1 54 54 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4411 1 122 . 1 1 54 54 ALA HA H 1 4.37 0.02 . 1 . . . . . . . . 4411 1 123 . 1 1 55 55 ASP N N 15 117.3 0.1 . 1 . . . . . . . . 4411 1 124 . 1 1 55 55 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4411 1 125 . 1 1 55 55 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 4411 1 126 . 1 1 56 56 THR N N 15 113.2 0.1 . 1 . . . . . . . . 4411 1 127 . 1 1 56 56 THR H H 1 8.00 0.02 . 1 . . . . . . . . 4411 1 128 . 1 1 56 56 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 4411 1 129 . 1 1 57 57 THR N N 15 114.8 0.1 . 1 . . . . . . . . 4411 1 130 . 1 1 57 57 THR H H 1 8.02 0.02 . 1 . . . . . . . . 4411 1 131 . 1 1 57 57 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4411 1 132 . 1 1 58 58 HIS N N 15 119.4 0.1 . 1 . . . . . . . . 4411 1 133 . 1 1 58 58 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 4411 1 134 . 1 1 58 58 HIS HA H 1 4.76 0.02 . 1 . . . . . . . . 4411 1 135 . 1 1 59 59 SER N N 15 116.0 0.1 . 1 . . . . . . . . 4411 1 136 . 1 1 59 59 SER H H 1 8.24 0.02 . 1 . . . . . . . . 4411 1 137 . 1 1 59 59 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4411 1 138 . 1 1 60 60 THR N N 15 115.7 0.1 . 1 . . . . . . . . 4411 1 139 . 1 1 60 60 THR H H 1 8.19 0.02 . 1 . . . . . . . . 4411 1 140 . 1 1 60 60 THR HA H 1 4.43 0.02 . 1 . . . . . . . . 4411 1 141 . 1 1 61 61 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 4411 1 142 . 1 1 61 61 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4411 1 143 . 1 1 61 61 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4411 1 144 . 1 1 62 62 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 4411 1 145 . 1 1 62 62 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 4411 1 146 . 1 1 62 62 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4411 1 147 . 1 1 63 63 GLY N N 15 108.3 0.1 . 1 . . . . . . . . 4411 1 148 . 1 1 63 63 GLY H H 1 8.12 0.02 . 1 . . . . . . . . 4411 1 149 . 1 1 63 63 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 4411 1 150 . 1 1 63 63 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4411 1 151 . 1 1 64 64 LEU N N 15 121.0 0.1 . 1 . . . . . . . . 4411 1 152 . 1 1 64 64 LEU H H 1 7.84 0.02 . 1 . . . . . . . . 4411 1 153 . 1 1 64 64 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4411 1 154 . 1 1 65 65 TYR N N 15 118.6 0.1 . 1 . . . . . . . . 4411 1 155 . 1 1 65 65 TYR H H 1 8.02 0.02 . 1 . . . . . . . . 4411 1 156 . 1 1 65 65 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 4411 1 157 . 1 1 66 66 ASN N N 15 118.8 0.1 . 1 . . . . . . . . 4411 1 158 . 1 1 66 66 ASN H H 1 8.18 0.02 . 1 . . . . . . . . 4411 1 159 . 1 1 66 66 ASN HA H 1 4.72 0.02 . 1 . . . . . . . . 4411 1 160 . 1 1 67 67 THR N N 15 113.1 0.1 . 1 . . . . . . . . 4411 1 161 . 1 1 67 67 THR H H 1 7.92 0.02 . 1 . . . . . . . . 4411 1 162 . 1 1 67 67 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 4411 1 163 . 1 1 68 68 LEU N N 15 122.4 0.1 . 1 . . . . . . . . 4411 1 164 . 1 1 68 68 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 4411 1 165 . 1 1 68 68 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4411 1 166 . 1 1 69 69 ASN N N 15 118.6 0.1 . 1 . . . . . . . . 4411 1 167 . 1 1 69 69 ASN H H 1 8.10 0.02 . 1 . . . . . . . . 4411 1 168 . 1 1 69 69 ASN HA H 1 5.00 0.02 . 1 . . . . . . . . 4411 1 169 . 1 1 70 70 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4411 1 170 . 1 1 71 71 GLU N N 15 117.1 0.1 . 1 . . . . . . . . 4411 1 171 . 1 1 71 71 GLU H H 1 8.13 0.02 . 1 . . . . . . . . 4411 1 172 . 1 1 71 71 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 4411 1 173 . 1 1 72 72 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 4411 1 174 . 1 1 72 72 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 4411 1 175 . 1 1 72 72 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 4411 1 176 . 1 1 73 73 SER N N 15 113.4 0.1 . 1 . . . . . . . . 4411 1 177 . 1 1 73 73 SER H H 1 8.00 0.02 . 1 . . . . . . . . 4411 1 178 . 1 1 73 73 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4411 1 179 . 1 1 74 74 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 4411 1 180 . 1 1 74 74 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 4411 1 181 . 1 1 74 74 ALA HA H 1 4.63 0.02 . 1 . . . . . . . . 4411 1 182 . 1 1 75 75 SER N N 15 116.1 0.1 . 1 . . . . . . . . 4411 1 183 . 1 1 75 75 SER H H 1 8.21 0.02 . 1 . . . . . . . . 4411 1 184 . 1 1 75 75 SER HA H 1 4.77 0.02 . 1 . . . . . . . . 4411 1 185 . 1 1 76 76 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 4411 1 186 . 1 1 77 77 CYS N N 15 120.0 0.1 . 1 . . . . . . . . 4411 1 187 . 1 1 77 77 CYS H H 1 8.55 0.02 . 1 . . . . . . . . 4411 1 188 . 1 1 77 77 CYS HA H 1 4.84 0.02 . 1 . . . . . . . . 4411 1 189 . 1 1 78 78 CYS N N 15 125.6 0.1 . 1 . . . . . . . . 4411 1 190 . 1 1 78 78 CYS H H 1 8.58 0.02 . 1 . . . . . . . . 4411 1 191 . 1 1 78 78 CYS HA H 1 4.98 0.02 . 1 . . . . . . . . 4411 1 192 . 1 1 79 79 VAL N N 15 122.8 0.1 . 1 . . . . . . . . 4411 1 193 . 1 1 79 79 VAL H H 1 9.18 0.02 . 1 . . . . . . . . 4411 1 194 . 1 1 79 79 VAL HA H 1 5.04 0.02 . 1 . . . . . . . . 4411 1 195 . 1 1 80 80 PRO HA H 1 4.72 0.02 . 1 . . . . . . . . 4411 1 196 . 1 1 81 81 GLN N N 15 123.0 0.1 . 1 . . . . . . . . 4411 1 197 . 1 1 81 81 GLN H H 1 8.87 0.02 . 1 . . . . . . . . 4411 1 198 . 1 1 81 81 GLN HA H 1 4.50 0.02 . 1 . . . . . . . . 4411 1 199 . 1 1 82 82 ASP N N 15 116.3 0.1 . 1 . . . . . . . . 4411 1 200 . 1 1 82 82 ASP H H 1 7.42 0.02 . 1 . . . . . . . . 4411 1 201 . 1 1 82 82 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . 4411 1 202 . 1 1 83 83 LEU N N 15 125.6 0.1 . 1 . . . . . . . . 4411 1 203 . 1 1 83 83 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 4411 1 204 . 1 1 83 83 LEU HA H 1 5.49 0.02 . 1 . . . . . . . . 4411 1 205 . 1 1 84 84 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 4411 1 206 . 1 1 84 84 GLU H H 1 9.52 0.02 . 1 . . . . . . . . 4411 1 207 . 1 1 84 84 GLU HA H 1 5.05 0.02 . 1 . . . . . . . . 4411 1 208 . 1 1 85 85 PRO HA H 1 5.14 0.02 . 1 . . . . . . . . 4411 1 209 . 1 1 86 86 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 4411 1 210 . 1 1 86 86 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 4411 1 211 . 1 1 86 86 LEU HA H 1 4.65 0.02 . 1 . . . . . . . . 4411 1 212 . 1 1 87 87 THR N N 15 124.2 0.1 . 1 . . . . . . . . 4411 1 213 . 1 1 87 87 THR H H 1 8.44 0.02 . 1 . . . . . . . . 4411 1 214 . 1 1 87 87 THR HA H 1 4.99 0.02 . 1 . . . . . . . . 4411 1 215 . 1 1 88 88 ILE N N 15 121.0 0.1 . 1 . . . . . . . . 4411 1 216 . 1 1 88 88 ILE H H 1 8.95 0.02 . 1 . . . . . . . . 4411 1 217 . 1 1 88 88 ILE HA H 1 5.02 0.02 . 1 . . . . . . . . 4411 1 218 . 1 1 89 89 LEU N N 15 123.0 0.1 . 1 . . . . . . . . 4411 1 219 . 1 1 89 89 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 4411 1 220 . 1 1 89 89 LEU HA H 1 5.55 0.02 . 1 . . . . . . . . 4411 1 221 . 1 1 90 90 TYR N N 15 126.2 0.1 . 1 . . . . . . . . 4411 1 222 . 1 1 90 90 TYR H H 1 9.44 0.02 . 1 . . . . . . . . 4411 1 223 . 1 1 90 90 TYR HA H 1 5.10 0.02 . 1 . . . . . . . . 4411 1 224 . 1 1 91 91 TYR N N 15 118.8 0.1 . 1 . . . . . . . . 4411 1 225 . 1 1 91 91 TYR H H 1 8.99 0.02 . 1 . . . . . . . . 4411 1 226 . 1 1 91 91 TYR HA H 1 4.92 0.02 . 1 . . . . . . . . 4411 1 227 . 1 1 92 92 VAL N N 15 122.7 0.1 . 1 . . . . . . . . 4411 1 228 . 1 1 92 92 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 4411 1 229 . 1 1 92 92 VAL HA H 1 4.16 0.02 . 1 . . . . . . . . 4411 1 230 . 1 1 93 93 GLY N N 15 117.9 0.1 . 1 . . . . . . . . 4411 1 231 . 1 1 93 93 GLY H H 1 8.87 0.02 . 1 . . . . . . . . 4411 1 232 . 1 1 93 93 GLY HA2 H 1 3.66 0.02 . 2 . . . . . . . . 4411 1 233 . 1 1 93 93 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 4411 1 234 . 1 1 94 94 ARG N N 15 125.3 0.1 . 1 . . . . . . . . 4411 1 235 . 1 1 94 94 ARG H H 1 8.80 0.02 . 1 . . . . . . . . 4411 1 236 . 1 1 94 94 ARG HA H 1 4.40 0.02 . 1 . . . . . . . . 4411 1 237 . 1 1 95 95 THR N N 15 119.1 0.1 . 1 . . . . . . . . 4411 1 238 . 1 1 95 95 THR H H 1 8.27 0.02 . 1 . . . . . . . . 4411 1 239 . 1 1 95 95 THR HA H 1 4.67 0.02 . 1 . . . . . . . . 4411 1 240 . 1 1 96 96 PRO HA H 1 3.88 0.02 . 1 . . . . . . . . 4411 1 241 . 1 1 97 97 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 4411 1 242 . 1 1 97 97 LYS H H 1 8.78 0.02 . 1 . . . . . . . . 4411 1 243 . 1 1 97 97 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 4411 1 244 . 1 1 98 98 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 4411 1 245 . 1 1 98 98 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 4411 1 246 . 1 1 98 98 VAL HA H 1 5.18 0.02 . 1 . . . . . . . . 4411 1 247 . 1 1 99 99 GLU N N 15 123.8 0.1 . 1 . . . . . . . . 4411 1 248 . 1 1 99 99 GLU H H 1 8.97 0.02 . 1 . . . . . . . . 4411 1 249 . 1 1 99 99 GLU HA H 1 4.87 0.02 . 1 . . . . . . . . 4411 1 250 . 1 1 100 100 GLN N N 15 122.2 0.1 . 1 . . . . . . . . 4411 1 251 . 1 1 100 100 GLN H H 1 8.68 0.02 . 1 . . . . . . . . 4411 1 252 . 1 1 100 100 GLN HA H 1 5.04 0.02 . 1 . . . . . . . . 4411 1 253 . 1 1 101 101 LEU N N 15 127.1 0.1 . 1 . . . . . . . . 4411 1 254 . 1 1 101 101 LEU H H 1 9.09 0.02 . 1 . . . . . . . . 4411 1 255 . 1 1 101 101 LEU HA H 1 4.75 0.02 . 1 . . . . . . . . 4411 1 256 . 1 1 102 102 SER N N 15 118.2 0.1 . 1 . . . . . . . . 4411 1 257 . 1 1 102 102 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4411 1 258 . 1 1 102 102 SER HA H 1 4.12 0.02 . 1 . . . . . . . . 4411 1 259 . 1 1 103 103 ASN N N 15 115.8 0.1 . 1 . . . . . . . . 4411 1 260 . 1 1 103 103 ASN H H 1 8.93 0.02 . 1 . . . . . . . . 4411 1 261 . 1 1 103 103 ASN HA H 1 3.96 0.02 . 1 . . . . . . . . 4411 1 262 . 1 1 104 104 MET N N 15 113.8 0.1 . 1 . . . . . . . . 4411 1 263 . 1 1 104 104 MET H H 1 7.44 0.02 . 1 . . . . . . . . 4411 1 264 . 1 1 104 104 MET HA H 1 4.93 0.02 . 1 . . . . . . . . 4411 1 265 . 1 1 105 105 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 4411 1 266 . 1 1 105 105 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4411 1 267 . 1 1 105 105 VAL HA H 1 4.78 0.02 . 1 . . . . . . . . 4411 1 268 . 1 1 106 106 VAL N N 15 127.8 0.1 . 1 . . . . . . . . 4411 1 269 . 1 1 106 106 VAL H H 1 9.28 0.02 . 1 . . . . . . . . 4411 1 270 . 1 1 106 106 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 4411 1 271 . 1 1 107 107 LYS N N 15 126.2 0.1 . 1 . . . . . . . . 4411 1 272 . 1 1 107 107 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 4411 1 273 . 1 1 107 107 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 4411 1 274 . 1 1 108 108 SER N N 15 110.7 0.1 . 1 . . . . . . . . 4411 1 275 . 1 1 108 108 SER H H 1 7.87 0.02 . 1 . . . . . . . . 4411 1 276 . 1 1 108 108 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 4411 1 277 . 1 1 109 109 CYS N N 15 120.0 0.1 . 1 . . . . . . . . 4411 1 278 . 1 1 109 109 CYS H H 1 8.69 0.02 . 1 . . . . . . . . 4411 1 279 . 1 1 109 109 CYS HA H 1 5.26 0.02 . 1 . . . . . . . . 4411 1 280 . 1 1 110 110 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 4411 1 281 . 1 1 110 110 LYS H H 1 9.74 0.02 . 1 . . . . . . . . 4411 1 282 . 1 1 110 110 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 4411 1 283 . 1 1 111 111 CYS HA H 1 5.19 0.02 . 1 . . . . . . . . 4411 1 284 . 1 1 112 112 SER N N 15 121.9 0.1 . 1 . . . . . . . . 4411 1 285 . 1 1 112 112 SER H H 1 9.18 0.02 . 1 . . . . . . . . 4411 1 286 . 1 1 112 112 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4411 1 stop_ save_