data_6584 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6584 _Entry.Title ; Backbone assignment of the E2 ubiquitin conjugating enzyme UbcH5alpha ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-11 _Entry.Accession_date 2005-04-11 _Entry.Last_release_date 2005-10-25 _Entry.Original_release_date 2005-10-25 _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 Krishna Saxena . . . 6584 2 Doris Jacobs . M. . 6584 3 Martin Vogtherr . . . 6584 4 Susanne Grimme . . . 6584 5 Bettina Elshorst . . . 6584 6 Klaus Fiebig . M. . 6584 7 Harald Schwalbe . . . 6584 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6584 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 6584 '15N chemical shifts' 140 6584 '1H chemical shifts' 138 6584 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 . . 2005-10-25 2005-04-11 original author . 6584 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6584 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16211490 _Citation.Full_citation . _Citation.Title ; Backbone NMR Assignment of the Human E2 Ubiquitin Conjugating Enzyme UbcH5alpha (F72K,F82S) Double Mutant ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _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 338 _Citation.Page_last 338 _Citation.Year 2005 _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 Krishna Saxena . . . 6584 1 2 Doris Jacobs . M. . 6584 1 3 Martin Vogtherr . . . 6584 1 4 Susanne Grimme . . . 6584 1 5 Bettina Elshorst . . . 6584 1 6 Barbara Pescatore . . . 6584 1 7 Marco Betz . . . 6584 1 8 Ulrich Schieborr . . . 6584 1 9 Thomas Langer . . . 6584 1 10 Harald Schwalbe . . . 6584 1 11 Klaus Fiebig . . . 6584 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6584 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8090726 _Citation.Full_citation ; Scheffner M, Huibregtse JM, Howley PM. Free in PMC Identification of a human ubiquitin-conjugating enzyme that mediates the E6-AP-dependent ubiquitination of p53. Proc Natl Acad Sci U S A. 1994 Sep 13;91(19):8797-801. ; _Citation.Title 'Identification of a human ubiquitin-conjugating enzyme that mediates the E6-AP-dependent ubiquitination of p53.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 91 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 8797 _Citation.Page_last 8801 _Citation.Year 1994 _Citation.Details ; The E6 protein of the oncogenic human papillomavirus types 16 and 18 facilitates the rapid degradation of the tumor-suppressor protein p53 via the ubiquitin-dependent proteolytic pathway. The E6 protein binds to a cellular protein of 100 kDa termed E6-AP. The complex of E6 and E6-AP specifically interacts with p53 and induces the ubiquitination of p53 in a reaction which requires the ubiquitin-activating enzyme (E1) and a cellular fraction thought to contain a mammalian ubiquitin-conjugating enzyme (E2). This mammalian E2 activity could be replaced with bacterially expressed UBC8 from Arabidopsis thaliana, which belongs to a subfamily of E2s including yeast UBC4 and UBC5 which are highly conserved at the amino acid level. In this paper we describe the cloning of a human cDNA encoding a human E2 that we have designated UbcH5 and that is related to Arabidopsis UBC8 and the other members of this subfamily. We demonstrate that UbcH5 can function in the E6/E6-AP-induced ubiquitination of p53. ; 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 M Scheffner M. . . 6584 2 2 'J M' Huibregtse J. M. . 6584 2 3 'P M' Howley P. M. . 6584 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E2 _Assembly.Entry_ID 6584 _Assembly.ID 1 _Assembly.Name E2 _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 free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 6.3.2.19 _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 6584 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 UBCH5alpha 1 $UBCH5alpha . . . native . . . . . 6584 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID E2 abbreviation 6584 1 E2 system 6584 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ubiquitin-protein ligase' 6584 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBCH5alpha _Entity.Sf_category entity _Entity.Sf_framecode UBCH5alpha _Entity.Entry_ID 6584 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin ligating enzyme' _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 ; MGHHHHHHHHHHSSGHIEGR HMALKRIQKELSDLQRDPPA HCSAGPVGDDLFHWQATIMG PPDSAYQGGVFKLTVHFPTD YPSKPPKIAFTTKIYHPNIN SNGSICLDILRSQWSPALTV SKVLLSICSLLCDPNPDDPL VPDIAQIYKSDKEKYNRHAR EWTQKYAM ; _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 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Double Mutant F51K F62S, containing N-terminal H-s-Tag and FXa cleaving site.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2YHO . "The Idol-Ube2d Complex Mediates Sterol-Dependent Degradation Of The Ldl Receptor" . . . . . 87.50 149 98.64 98.64 4.02e-102 . . . . 6584 1 2 no PDB 3OJ4 . "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" . . . . . 88.10 153 97.97 97.97 2.81e-102 . . . . 6584 1 3 no PDB 3PTF . "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" . . . . . 88.10 153 97.97 97.97 2.81e-102 . . . . 6584 1 4 no PDB 4AP4 . "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" . . . . . 87.50 153 97.28 97.28 6.00e-100 . . . . 6584 1 5 no DBJ BAE25905 . "unnamed protein product [Mus musculus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 6 no DBJ BAE28506 . "unnamed protein product [Mus musculus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 7 no DBJ BAF84590 . "unnamed protein product [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 8 no DBJ BAJ20325 . "ubiquitin-conjugating enzyme E2D 1 [synthetic construct]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 9 no EMBL CAA55019 . "ubiquitin conjugating enzyme [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 10 no EMBL CAC82097 . "ubiquitin-conjugating enzyme [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 11 no EMBL CAC82177 . "ubiquitin-conjugating enzyme [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 12 no GB AAH05980 . "Ubiquitin-conjugating enzyme E2D 1 (UBC4/5 homolog, yeast) [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 13 no GB AAH15997 . "Ubiquitin-conjugating enzyme E2D 1 (UBC4/5 homolog, yeast) [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 14 no GB AAH19464 . "Ubiquitin-conjugating enzyme E2D 1, UBC4/5 homolog (yeast) [Mus musculus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 15 no GB AAI11176 . "Ubiquitin-conjugating enzyme E2D 1 (UBC4/5 homolog, yeast) [Bos taurus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 16 no GB AAM81086 . "ubiquitin-conjugating enzyme [Homo sapiens]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 17 no REF NP_001033256 . "ubiquitin-conjugating enzyme E2 D1 [Bos taurus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 18 no REF NP_001072142 . "UB2D1 [Sus scrofa]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 19 no REF NP_001102000 . "ubiquitin-conjugating enzyme E2 D1 [Rattus norvegicus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 20 no REF NP_001186455 . "ubiquitin-conjugating enzyme E2 D1 [Gallus gallus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 21 no REF NP_001191809 . "ubiquitin-conjugating enzyme E2 D1 isoform 2 [Homo sapiens]" . . . . . 63.69 109 98.13 98.13 4.67e-70 . . . . 6584 1 22 no SP D3ZDK2 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Ubiquitin carrier protein D1; AltName: Full=Ubiquitin-conjugati" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 23 no SP P51668 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Stimulator of Fe transport; Short=SFT; AltName: Full=UBC4/5 hom" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 24 no SP P61080 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Ubiquitin carrier protein D1; AltName: Full=Ubiquitin-conjugati" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 25 no SP Q2TA10 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Ubiquitin carrier protein D1; AltName: Full=Ubiquitin-protein l" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 26 no TPG DAA15007 . "TPA: ubiquitin-conjugating enzyme E2D 1 [Bos taurus]" . . . . . 87.50 147 98.64 98.64 2.57e-102 . . . . 6584 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'F51K F62S' variant 6584 1 UBCH5alpha abbreviation 6584 1 'Ubiquitin ligating enzyme' common 6584 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 -21 MET . 6584 1 2 -20 GLY . 6584 1 3 -19 HIS . 6584 1 4 -18 HIS . 6584 1 5 -17 HIS . 6584 1 6 -16 HIS . 6584 1 7 -15 HIS . 6584 1 8 -14 HIS . 6584 1 9 -13 HIS . 6584 1 10 -12 HIS . 6584 1 11 -11 HIS . 6584 1 12 -10 HIS . 6584 1 13 -9 SER . 6584 1 14 -8 SER . 6584 1 15 -7 GLY . 6584 1 16 -6 HIS . 6584 1 17 -5 ILE . 6584 1 18 -4 GLU . 6584 1 19 -3 GLY . 6584 1 20 -2 ARG . 6584 1 21 -1 HIS . 6584 1 22 1 MET . 6584 1 23 2 ALA . 6584 1 24 3 LEU . 6584 1 25 4 LYS . 6584 1 26 5 ARG . 6584 1 27 6 ILE . 6584 1 28 7 GLN . 6584 1 29 8 LYS . 6584 1 30 9 GLU . 6584 1 31 10 LEU . 6584 1 32 11 SER . 6584 1 33 12 ASP . 6584 1 34 13 LEU . 6584 1 35 14 GLN . 6584 1 36 15 ARG . 6584 1 37 16 ASP . 6584 1 38 17 PRO . 6584 1 39 18 PRO . 6584 1 40 19 ALA . 6584 1 41 20 HIS . 6584 1 42 21 CYS . 6584 1 43 22 SER . 6584 1 44 23 ALA . 6584 1 45 24 GLY . 6584 1 46 25 PRO . 6584 1 47 26 VAL . 6584 1 48 27 GLY . 6584 1 49 28 ASP . 6584 1 50 29 ASP . 6584 1 51 30 LEU . 6584 1 52 31 PHE . 6584 1 53 32 HIS . 6584 1 54 33 TRP . 6584 1 55 34 GLN . 6584 1 56 35 ALA . 6584 1 57 36 THR . 6584 1 58 37 ILE . 6584 1 59 38 MET . 6584 1 60 39 GLY . 6584 1 61 40 PRO . 6584 1 62 41 PRO . 6584 1 63 42 ASP . 6584 1 64 43 SER . 6584 1 65 44 ALA . 6584 1 66 45 TYR . 6584 1 67 46 GLN . 6584 1 68 47 GLY . 6584 1 69 48 GLY . 6584 1 70 49 VAL . 6584 1 71 50 PHE . 6584 1 72 51 LYS . 6584 1 73 52 LEU . 6584 1 74 53 THR . 6584 1 75 54 VAL . 6584 1 76 55 HIS . 6584 1 77 56 PHE . 6584 1 78 57 PRO . 6584 1 79 58 THR . 6584 1 80 59 ASP . 6584 1 81 60 TYR . 6584 1 82 61 PRO . 6584 1 83 62 SER . 6584 1 84 63 LYS . 6584 1 85 64 PRO . 6584 1 86 65 PRO . 6584 1 87 66 LYS . 6584 1 88 67 ILE . 6584 1 89 68 ALA . 6584 1 90 69 PHE . 6584 1 91 70 THR . 6584 1 92 71 THR . 6584 1 93 72 LYS . 6584 1 94 73 ILE . 6584 1 95 74 TYR . 6584 1 96 75 HIS . 6584 1 97 76 PRO . 6584 1 98 77 ASN . 6584 1 99 78 ILE . 6584 1 100 79 ASN . 6584 1 101 80 SER . 6584 1 102 81 ASN . 6584 1 103 82 GLY . 6584 1 104 83 SER . 6584 1 105 84 ILE . 6584 1 106 85 CYS . 6584 1 107 86 LEU . 6584 1 108 87 ASP . 6584 1 109 88 ILE . 6584 1 110 89 LEU . 6584 1 111 90 ARG . 6584 1 112 91 SER . 6584 1 113 92 GLN . 6584 1 114 93 TRP . 6584 1 115 94 SER . 6584 1 116 95 PRO . 6584 1 117 96 ALA . 6584 1 118 97 LEU . 6584 1 119 98 THR . 6584 1 120 99 VAL . 6584 1 121 100 SER . 6584 1 122 101 LYS . 6584 1 123 102 VAL . 6584 1 124 103 LEU . 6584 1 125 104 LEU . 6584 1 126 105 SER . 6584 1 127 106 ILE . 6584 1 128 107 CYS . 6584 1 129 108 SER . 6584 1 130 109 LEU . 6584 1 131 110 LEU . 6584 1 132 111 CYS . 6584 1 133 112 ASP . 6584 1 134 113 PRO . 6584 1 135 114 ASN . 6584 1 136 115 PRO . 6584 1 137 116 ASP . 6584 1 138 117 ASP . 6584 1 139 118 PRO . 6584 1 140 119 LEU . 6584 1 141 120 VAL . 6584 1 142 121 PRO . 6584 1 143 122 ASP . 6584 1 144 123 ILE . 6584 1 145 124 ALA . 6584 1 146 125 GLN . 6584 1 147 126 ILE . 6584 1 148 127 TYR . 6584 1 149 128 LYS . 6584 1 150 129 SER . 6584 1 151 130 ASP . 6584 1 152 131 LYS . 6584 1 153 132 GLU . 6584 1 154 133 LYS . 6584 1 155 134 TYR . 6584 1 156 135 ASN . 6584 1 157 136 ARG . 6584 1 158 137 HIS . 6584 1 159 138 ALA . 6584 1 160 139 ARG . 6584 1 161 140 GLU . 6584 1 162 141 TRP . 6584 1 163 142 THR . 6584 1 164 143 GLN . 6584 1 165 144 LYS . 6584 1 166 145 TYR . 6584 1 167 146 ALA . 6584 1 168 147 MET . 6584 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 6584 1 . GLY 2 2 6584 1 . HIS 3 3 6584 1 . HIS 4 4 6584 1 . HIS 5 5 6584 1 . HIS 6 6 6584 1 . HIS 7 7 6584 1 . HIS 8 8 6584 1 . HIS 9 9 6584 1 . HIS 10 10 6584 1 . HIS 11 11 6584 1 . HIS 12 12 6584 1 . SER 13 13 6584 1 . SER 14 14 6584 1 . GLY 15 15 6584 1 . HIS 16 16 6584 1 . ILE 17 17 6584 1 . GLU 18 18 6584 1 . GLY 19 19 6584 1 . ARG 20 20 6584 1 . HIS 21 21 6584 1 . MET 22 22 6584 1 . ALA 23 23 6584 1 . LEU 24 24 6584 1 . LYS 25 25 6584 1 . ARG 26 26 6584 1 . ILE 27 27 6584 1 . GLN 28 28 6584 1 . LYS 29 29 6584 1 . GLU 30 30 6584 1 . LEU 31 31 6584 1 . SER 32 32 6584 1 . ASP 33 33 6584 1 . LEU 34 34 6584 1 . GLN 35 35 6584 1 . ARG 36 36 6584 1 . ASP 37 37 6584 1 . PRO 38 38 6584 1 . PRO 39 39 6584 1 . ALA 40 40 6584 1 . HIS 41 41 6584 1 . CYS 42 42 6584 1 . SER 43 43 6584 1 . ALA 44 44 6584 1 . GLY 45 45 6584 1 . PRO 46 46 6584 1 . VAL 47 47 6584 1 . GLY 48 48 6584 1 . ASP 49 49 6584 1 . ASP 50 50 6584 1 . LEU 51 51 6584 1 . PHE 52 52 6584 1 . HIS 53 53 6584 1 . TRP 54 54 6584 1 . GLN 55 55 6584 1 . ALA 56 56 6584 1 . THR 57 57 6584 1 . ILE 58 58 6584 1 . MET 59 59 6584 1 . GLY 60 60 6584 1 . PRO 61 61 6584 1 . PRO 62 62 6584 1 . ASP 63 63 6584 1 . SER 64 64 6584 1 . ALA 65 65 6584 1 . TYR 66 66 6584 1 . GLN 67 67 6584 1 . GLY 68 68 6584 1 . GLY 69 69 6584 1 . VAL 70 70 6584 1 . PHE 71 71 6584 1 . LYS 72 72 6584 1 . LEU 73 73 6584 1 . THR 74 74 6584 1 . VAL 75 75 6584 1 . HIS 76 76 6584 1 . PHE 77 77 6584 1 . PRO 78 78 6584 1 . THR 79 79 6584 1 . ASP 80 80 6584 1 . TYR 81 81 6584 1 . PRO 82 82 6584 1 . SER 83 83 6584 1 . LYS 84 84 6584 1 . PRO 85 85 6584 1 . PRO 86 86 6584 1 . LYS 87 87 6584 1 . ILE 88 88 6584 1 . ALA 89 89 6584 1 . PHE 90 90 6584 1 . THR 91 91 6584 1 . THR 92 92 6584 1 . LYS 93 93 6584 1 . ILE 94 94 6584 1 . TYR 95 95 6584 1 . HIS 96 96 6584 1 . PRO 97 97 6584 1 . ASN 98 98 6584 1 . ILE 99 99 6584 1 . ASN 100 100 6584 1 . SER 101 101 6584 1 . ASN 102 102 6584 1 . GLY 103 103 6584 1 . SER 104 104 6584 1 . ILE 105 105 6584 1 . CYS 106 106 6584 1 . LEU 107 107 6584 1 . ASP 108 108 6584 1 . ILE 109 109 6584 1 . LEU 110 110 6584 1 . ARG 111 111 6584 1 . SER 112 112 6584 1 . GLN 113 113 6584 1 . TRP 114 114 6584 1 . SER 115 115 6584 1 . PRO 116 116 6584 1 . ALA 117 117 6584 1 . LEU 118 118 6584 1 . THR 119 119 6584 1 . VAL 120 120 6584 1 . SER 121 121 6584 1 . LYS 122 122 6584 1 . VAL 123 123 6584 1 . LEU 124 124 6584 1 . LEU 125 125 6584 1 . SER 126 126 6584 1 . ILE 127 127 6584 1 . CYS 128 128 6584 1 . SER 129 129 6584 1 . LEU 130 130 6584 1 . LEU 131 131 6584 1 . CYS 132 132 6584 1 . ASP 133 133 6584 1 . PRO 134 134 6584 1 . ASN 135 135 6584 1 . PRO 136 136 6584 1 . ASP 137 137 6584 1 . ASP 138 138 6584 1 . PRO 139 139 6584 1 . LEU 140 140 6584 1 . VAL 141 141 6584 1 . PRO 142 142 6584 1 . ASP 143 143 6584 1 . ILE 144 144 6584 1 . ALA 145 145 6584 1 . GLN 146 146 6584 1 . ILE 147 147 6584 1 . TYR 148 148 6584 1 . LYS 149 149 6584 1 . SER 150 150 6584 1 . ASP 151 151 6584 1 . LYS 152 152 6584 1 . GLU 153 153 6584 1 . LYS 154 154 6584 1 . TYR 155 155 6584 1 . ASN 156 156 6584 1 . ARG 157 157 6584 1 . HIS 158 158 6584 1 . ALA 159 159 6584 1 . ARG 160 160 6584 1 . GLU 161 161 6584 1 . TRP 162 162 6584 1 . THR 163 163 6584 1 . GLN 164 164 6584 1 . LYS 165 165 6584 1 . TYR 166 166 6584 1 . ALA 167 167 6584 1 . MET 168 168 6584 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 6584 _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 $UBCH5alpha . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6584 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 6584 _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 $UBCH5alpha . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6584 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6584 _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 'Ubiquitin ligating enzyme' '[U-13C; U-15N; U-60% 2H]' . . 1 $UBCH5alpha . . 1.7 . . mM . . . . 6584 1 2 'sodium sulphate' . . . . . . . 200 . . mM . . . . 6584 1 3 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6584 1 4 DTT . . . . . . . 5 . . mM . . . . 6584 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6584 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 900 20 mM 6584 1 pH 6.0 0.1 pH 6584 1 temperature 295 0.1 K 6584 1 stop_ save_ ############################ # Computer software used # ############################ save_xeasy _Software.Sf_category software _Software.Sf_framecode xeasy _Software.Entry_ID 6584 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details ; C. Bartels et al., J. Biomol. NMR 5, 1-10 (1995). ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6584 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6584 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6584 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6584 _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_1 Bruker DRX . 800 . . . 6584 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 6584 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 6584 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6584 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6584 1 3 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6584 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6584 1 5 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6584 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 6584 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _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 6584 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _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 6584 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CA)CO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _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 6584 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _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 6584 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _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_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6584 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6584 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6584 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 6584 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6584 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 6584 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6584 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 . 6584 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 2 2 GLY N N 15 109.484 0.1 . 1 . . . . . . . . 6584 1 2 . 1 1 2 2 GLY H H 1 8.440 0.02 . 1 . . . . . . . . 6584 1 3 . 1 1 2 2 GLY CA C 13 42.685 0.1 . 1 . . . . . . . . 6584 1 4 . 1 1 3 3 HIS N N 15 116.916 0.1 . 1 . . . . . . . . 6584 1 5 . 1 1 3 3 HIS H H 1 8.280 0.02 . 1 . . . . . . . . 6584 1 6 . 1 1 3 3 HIS CA C 13 53.035 0.1 . 1 . . . . . . . . 6584 1 7 . 1 1 3 3 HIS CB C 13 26.935 0.1 . 1 . . . . . . . . 6584 1 8 . 1 1 11 11 HIS N N 15 119.584 0.1 . 1 . . . . . . . . 6584 1 9 . 1 1 11 11 HIS H H 1 8.562 0.02 . 1 . . . . . . . . 6584 1 10 . 1 1 11 11 HIS CA C 13 53.207 0.1 . 1 . . . . . . . . 6584 1 11 . 1 1 11 11 HIS CB C 13 26.989 0.1 . 1 . . . . . . . . 6584 1 12 . 1 1 12 12 HIS N N 15 119.128 0.1 . 1 . . . . . . . . 6584 1 13 . 1 1 12 12 HIS H H 1 8.473 0.02 . 1 . . . . . . . . 6584 1 14 . 1 1 12 12 HIS CA C 13 53.144 0.1 . 1 . . . . . . . . 6584 1 15 . 1 1 12 12 HIS CB C 13 27.044 0.1 . 1 . . . . . . . . 6584 1 16 . 1 1 13 13 SER N N 15 117.153 0.1 . 1 . . . . . . . . 6584 1 17 . 1 1 13 13 SER H H 1 8.501 0.02 . 1 . . . . . . . . 6584 1 18 . 1 1 13 13 SER CA C 13 56.101 0.1 . 1 . . . . . . . . 6584 1 19 . 1 1 13 13 SER CB C 13 61.335 0.1 . 1 . . . . . . . . 6584 1 20 . 1 1 14 14 SER N N 15 117.266 0.1 . 1 . . . . . . . . 6584 1 21 . 1 1 14 14 SER H H 1 8.475 0.02 . 1 . . . . . . . . 6584 1 22 . 1 1 14 14 SER CA C 13 56.008 0.1 . 1 . . . . . . . . 6584 1 23 . 1 1 14 14 SER CB C 13 61.390 0.1 . 1 . . . . . . . . 6584 1 24 . 1 1 15 15 GLY N N 15 109.589 0.1 . 1 . . . . . . . . 6584 1 25 . 1 1 15 15 GLY H H 1 8.384 0.02 . 1 . . . . . . . . 6584 1 26 . 1 1 15 15 GLY CA C 13 42.755 0.1 . 1 . . . . . . . . 6584 1 27 . 1 1 16 16 HIS N N 15 118.367 0.1 . 1 . . . . . . . . 6584 1 28 . 1 1 16 16 HIS H H 1 8.206 0.02 . 1 . . . . . . . . 6584 1 29 . 1 1 16 16 HIS CA C 13 53.371 0.1 . 1 . . . . . . . . 6584 1 30 . 1 1 16 16 HIS CB C 13 27.044 0.1 . 1 . . . . . . . . 6584 1 31 . 1 1 17 17 ILE N N 15 122.086 0.1 . 1 . . . . . . . . 6584 1 32 . 1 1 17 17 ILE H H 1 8.118 0.02 . 1 . . . . . . . . 6584 1 33 . 1 1 17 17 ILE CA C 13 58.777 0.1 . 1 . . . . . . . . 6584 1 34 . 1 1 17 17 ILE CB C 13 35.617 0.1 . 1 . . . . . . . . 6584 1 35 . 1 1 18 18 GLU N N 15 123.964 0.1 . 1 . . . . . . . . 6584 1 36 . 1 1 18 18 GLU H H 1 8.567 0.02 . 1 . . . . . . . . 6584 1 37 . 1 1 18 18 GLU CA C 13 54.492 0.1 . 1 . . . . . . . . 6584 1 38 . 1 1 19 19 GLY N N 15 108.943 0.1 . 1 . . . . . . . . 6584 1 39 . 1 1 19 19 GLY H H 1 8.492 0.02 . 1 . . . . . . . . 6584 1 40 . 1 1 19 19 GLY CA C 13 43.612 0.1 . 1 . . . . . . . . 6584 1 41 . 1 1 20 20 ARG N N 15 120.618 0.1 . 1 . . . . . . . . 6584 1 42 . 1 1 20 20 ARG H H 1 8.288 0.02 . 1 . . . . . . . . 6584 1 43 . 1 1 20 20 ARG CA C 13 55.547 0.1 . 1 . . . . . . . . 6584 1 44 . 1 1 20 20 ARG CB C 13 27.426 0.1 . 1 . . . . . . . . 6584 1 45 . 1 1 21 21 HIS N N 15 117.159 0.1 . 1 . . . . . . . . 6584 1 46 . 1 1 21 21 HIS H H 1 8.303 0.02 . 1 . . . . . . . . 6584 1 47 . 1 1 21 21 HIS CA C 13 55.862 0.1 . 1 . . . . . . . . 6584 1 48 . 1 1 21 21 HIS CB C 13 26.880 0.1 . 1 . . . . . . . . 6584 1 49 . 1 1 22 22 MET N N 15 118.300 0.1 . 1 . . . . . . . . 6584 1 50 . 1 1 22 22 MET H H 1 8.052 0.02 . 1 . . . . . . . . 6584 1 51 . 1 1 22 22 MET CA C 13 55.415 0.1 . 1 . . . . . . . . 6584 1 52 . 1 1 22 22 MET CB C 13 29.010 0.1 . 1 . . . . . . . . 6584 1 53 . 1 1 23 23 ALA N N 15 123.660 0.1 . 1 . . . . . . . . 6584 1 54 . 1 1 23 23 ALA H H 1 8.264 0.02 . 1 . . . . . . . . 6584 1 55 . 1 1 23 23 ALA CA C 13 53.107 0.1 . 1 . . . . . . . . 6584 1 56 . 1 1 23 23 ALA CB C 13 16.895 0.1 . 1 . . . . . . . . 6584 1 57 . 1 1 24 24 LEU N N 15 116.466 0.1 . 1 . . . . . . . . 6584 1 58 . 1 1 24 24 LEU H H 1 8.241 0.02 . 1 . . . . . . . . 6584 1 59 . 1 1 24 24 LEU CA C 13 55.349 0.1 . 1 . . . . . . . . 6584 1 60 . 1 1 24 24 LEU CB C 13 39.311 0.1 . 1 . . . . . . . . 6584 1 61 . 1 1 25 25 LYS N N 15 116.616 0.1 . 1 . . . . . . . . 6584 1 62 . 1 1 25 25 LYS H H 1 7.675 0.02 . 1 . . . . . . . . 6584 1 63 . 1 1 25 25 LYS CA C 13 56.404 0.1 . 1 . . . . . . . . 6584 1 64 . 1 1 25 25 LYS CB C 13 29.487 0.1 . 1 . . . . . . . . 6584 1 65 . 1 1 26 26 ARG N N 15 120.285 0.1 . 1 . . . . . . . . 6584 1 66 . 1 1 26 26 ARG H H 1 7.550 0.02 . 1 . . . . . . . . 6584 1 67 . 1 1 26 26 ARG CA C 13 54.953 0.1 . 1 . . . . . . . . 6584 1 68 . 1 1 26 26 ARG CB C 13 25.860 0.1 . 1 . . . . . . . . 6584 1 69 . 1 1 27 27 ILE N N 15 121.319 0.1 . 1 . . . . . . . . 6584 1 70 . 1 1 27 27 ILE H H 1 8.695 0.02 . 1 . . . . . . . . 6584 1 71 . 1 1 27 27 ILE CA C 13 63.723 0.1 . 1 . . . . . . . . 6584 1 72 . 1 1 27 27 ILE CB C 13 35.355 0.1 . 1 . . . . . . . . 6584 1 73 . 1 1 28 28 GLN N N 15 116.449 0.1 . 1 . . . . . . . . 6584 1 74 . 1 1 28 28 GLN H H 1 8.450 0.02 . 1 . . . . . . . . 6584 1 75 . 1 1 28 28 GLN CA C 13 56.470 0.1 . 1 . . . . . . . . 6584 1 76 . 1 1 28 28 GLN CB C 13 25.860 0.1 . 1 . . . . . . . . 6584 1 77 . 1 1 29 29 LYS N N 15 121.335 0.1 . 1 . . . . . . . . 6584 1 78 . 1 1 29 29 LYS H H 1 7.688 0.02 . 1 . . . . . . . . 6584 1 79 . 1 1 29 29 LYS CA C 13 56.404 0.1 . 1 . . . . . . . . 6584 1 80 . 1 1 29 29 LYS CB C 13 29.289 0.1 . 1 . . . . . . . . 6584 1 81 . 1 1 30 30 GLU N N 15 118.540 0.1 . 1 . . . . . . . . 6584 1 82 . 1 1 30 30 GLU H H 1 8.481 0.02 . 1 . . . . . . . . 6584 1 83 . 1 1 30 30 GLU CA C 13 58.052 0.1 . 1 . . . . . . . . 6584 1 84 . 1 1 30 30 GLU CB C 13 26.981 0.1 . 1 . . . . . . . . 6584 1 85 . 1 1 31 31 LEU N N 15 119.418 0.1 . 1 . . . . . . . . 6584 1 86 . 1 1 31 31 LEU H H 1 8.699 0.02 . 1 . . . . . . . . 6584 1 87 . 1 1 31 31 LEU CA C 13 55.151 0.1 . 1 . . . . . . . . 6584 1 88 . 1 1 31 31 LEU CB C 13 38.454 0.1 . 1 . . . . . . . . 6584 1 89 . 1 1 32 32 SER N N 15 113.682 0.1 . 1 . . . . . . . . 6584 1 90 . 1 1 32 32 SER H H 1 8.135 0.02 . 1 . . . . . . . . 6584 1 91 . 1 1 32 32 SER CA C 13 58.777 0.1 . 1 . . . . . . . . 6584 1 92 . 1 1 32 32 SER CB C 13 60.279 0.1 . 1 . . . . . . . . 6584 1 93 . 1 1 33 33 ASP N N 15 121.136 0.1 . 1 . . . . . . . . 6584 1 94 . 1 1 33 33 ASP H H 1 8.395 0.02 . 1 . . . . . . . . 6584 1 95 . 1 1 33 33 ASP CA C 13 54.927 0.1 . 1 . . . . . . . . 6584 1 96 . 1 1 33 33 ASP CB C 13 37.597 0.1 . 1 . . . . . . . . 6584 1 97 . 1 1 34 34 LEU N N 15 121.118 0.1 . 1 . . . . . . . . 6584 1 98 . 1 1 34 34 LEU H H 1 8.121 0.02 . 1 . . . . . . . . 6584 1 99 . 1 1 34 34 LEU CA C 13 55.349 0.1 . 1 . . . . . . . . 6584 1 100 . 1 1 34 34 LEU CB C 13 39.377 0.1 . 1 . . . . . . . . 6584 1 101 . 1 1 35 35 GLN N N 15 113.913 0.1 . 1 . . . . . . . . 6584 1 102 . 1 1 35 35 GLN H H 1 7.948 0.02 . 1 . . . . . . . . 6584 1 103 . 1 1 35 35 GLN CA C 13 55.217 0.1 . 1 . . . . . . . . 6584 1 104 . 1 1 35 35 GLN CB C 13 25.530 0.1 . 1 . . . . . . . . 6584 1 105 . 1 1 36 36 ARG N N 15 117.138 0.1 . 1 . . . . . . . . 6584 1 106 . 1 1 36 36 ARG H H 1 7.554 0.02 . 1 . . . . . . . . 6584 1 107 . 1 1 36 36 ARG CA C 13 55.217 0.1 . 1 . . . . . . . . 6584 1 108 . 1 1 36 36 ARG CB C 13 28.234 0.1 . 1 . . . . . . . . 6584 1 109 . 1 1 37 37 ASP N N 15 115.849 0.1 . 1 . . . . . . . . 6584 1 110 . 1 1 37 37 ASP H H 1 7.616 0.02 . 1 . . . . . . . . 6584 1 111 . 1 1 37 37 ASP CA C 13 49.085 0.1 . 1 . . . . . . . . 6584 1 112 . 1 1 37 37 ASP CB C 13 38.784 0.1 . 1 . . . . . . . . 6584 1 113 . 1 1 41 41 HIS N N 15 110.491 0.1 . 1 . . . . . . . . 6584 1 114 . 1 1 41 41 HIS H H 1 8.278 0.02 . 1 . . . . . . . . 6584 1 115 . 1 1 41 41 HIS CA C 13 54.600 0.1 . 1 . . . . . . . . 6584 1 116 . 1 1 41 41 HIS CB C 13 26.454 0.1 . 1 . . . . . . . . 6584 1 117 . 1 1 43 43 SER N N 15 112.626 0.1 . 1 . . . . . . . . 6584 1 118 . 1 1 43 43 SER H H 1 8.462 0.02 . 1 . . . . . . . . 6584 1 119 . 1 1 43 43 SER CA C 13 54.623 0.1 . 1 . . . . . . . . 6584 1 120 . 1 1 43 43 SER CB C 13 63.115 0.1 . 1 . . . . . . . . 6584 1 121 . 1 1 44 44 ALA N N 15 120.885 0.1 . 1 . . . . . . . . 6584 1 122 . 1 1 44 44 ALA H H 1 8.218 0.02 . 1 . . . . . . . . 6584 1 123 . 1 1 44 44 ALA CA C 13 49.572 0.1 . 1 . . . . . . . . 6584 1 124 . 1 1 44 44 ALA CB C 13 20.321 0.1 . 1 . . . . . . . . 6584 1 125 . 1 1 45 45 GLY N N 15 102.848 0.1 . 1 . . . . . . . . 6584 1 126 . 1 1 45 45 GLY H H 1 8.017 0.02 . 1 . . . . . . . . 6584 1 127 . 1 1 45 45 GLY CA C 13 42.161 0.1 . 1 . . . . . . . . 6584 1 128 . 1 1 47 47 VAL N N 15 121.717 0.1 . 1 . . . . . . . . 6584 1 129 . 1 1 47 47 VAL H H 1 8.419 0.02 . 1 . . . . . . . . 6584 1 130 . 1 1 47 47 VAL CA C 13 60.162 0.1 . 1 . . . . . . . . 6584 1 131 . 1 1 47 47 VAL CB C 13 29.223 0.1 . 1 . . . . . . . . 6584 1 132 . 1 1 48 48 GLY N N 15 114.549 0.1 . 1 . . . . . . . . 6584 1 133 . 1 1 48 48 GLY H H 1 8.671 0.02 . 1 . . . . . . . . 6584 1 134 . 1 1 48 48 GLY CA C 13 43.480 0.1 . 1 . . . . . . . . 6584 1 135 . 1 1 49 49 ASP N N 15 122.152 0.1 . 1 . . . . . . . . 6584 1 136 . 1 1 49 49 ASP H H 1 8.481 0.02 . 1 . . . . . . . . 6584 1 137 . 1 1 49 49 ASP CA C 13 51.381 0.1 . 1 . . . . . . . . 6584 1 138 . 1 1 49 49 ASP CB C 13 38.388 0.1 . 1 . . . . . . . . 6584 1 139 . 1 1 50 50 ASP N N 15 118.531 0.1 . 1 . . . . . . . . 6584 1 140 . 1 1 50 50 ASP H H 1 7.848 0.02 . 1 . . . . . . . . 6584 1 141 . 1 1 50 50 ASP CA C 13 50.008 0.1 . 1 . . . . . . . . 6584 1 142 . 1 1 50 50 ASP CB C 13 38.520 0.1 . 1 . . . . . . . . 6584 1 143 . 1 1 51 51 LEU N N 15 124.041 0.1 . 1 . . . . . . . . 6584 1 144 . 1 1 51 51 LEU H H 1 8.569 0.02 . 1 . . . . . . . . 6584 1 145 . 1 1 51 51 LEU CA C 13 54.518 0.1 . 1 . . . . . . . . 6584 1 146 . 1 1 51 51 LEU CB C 13 32.897 0.1 . 1 . . . . . . . . 6584 1 147 . 1 1 52 52 PHE N N 15 110.714 0.1 . 1 . . . . . . . . 6584 1 148 . 1 1 52 52 PHE H H 1 8.202 0.02 . 1 . . . . . . . . 6584 1 149 . 1 1 52 52 PHE CA C 13 57.393 0.1 . 1 . . . . . . . . 6584 1 150 . 1 1 52 52 PHE CB C 13 35.553 0.1 . 1 . . . . . . . . 6584 1 151 . 1 1 53 53 HIS N N 15 119.021 0.1 . 1 . . . . . . . . 6584 1 152 . 1 1 53 53 HIS H H 1 7.841 0.02 . 1 . . . . . . . . 6584 1 153 . 1 1 53 53 HIS CA C 13 52.089 0.1 . 1 . . . . . . . . 6584 1 154 . 1 1 53 53 HIS CB C 13 28.893 0.1 . 1 . . . . . . . . 6584 1 155 . 1 1 54 54 TRP N N 15 122.136 0.1 . 1 . . . . . . . . 6584 1 156 . 1 1 54 54 TRP H H 1 9.583 0.02 . 1 . . . . . . . . 6584 1 157 . 1 1 54 54 TRP CA C 13 51.312 0.1 . 1 . . . . . . . . 6584 1 158 . 1 1 54 54 TRP CB C 13 30.344 0.1 . 1 . . . . . . . . 6584 1 159 . 1 1 55 55 GLN N N 15 117.983 0.1 . 1 . . . . . . . . 6584 1 160 . 1 1 55 55 GLN H H 1 8.747 0.02 . 1 . . . . . . . . 6584 1 161 . 1 1 55 55 GLN CA C 13 51.063 0.1 . 1 . . . . . . . . 6584 1 162 . 1 1 55 55 GLN CB C 13 28.432 0.1 . 1 . . . . . . . . 6584 1 163 . 1 1 56 56 ALA N N 15 122.803 0.1 . 1 . . . . . . . . 6584 1 164 . 1 1 56 56 ALA H H 1 8.639 0.02 . 1 . . . . . . . . 6584 1 165 . 1 1 56 56 ALA CA C 13 47.766 0.1 . 1 . . . . . . . . 6584 1 166 . 1 1 56 56 ALA CB C 13 20.717 0.1 . 1 . . . . . . . . 6584 1 167 . 1 1 57 57 THR N N 15 114.222 0.1 . 1 . . . . . . . . 6584 1 168 . 1 1 57 57 THR H H 1 8.915 0.02 . 1 . . . . . . . . 6584 1 169 . 1 1 57 57 THR CA C 13 58.118 0.1 . 1 . . . . . . . . 6584 1 170 . 1 1 57 57 THR CB C 13 69.181 0.1 . 1 . . . . . . . . 6584 1 171 . 1 1 60 60 GLY N N 15 108.273 0.1 . 1 . . . . . . . . 6584 1 172 . 1 1 60 60 GLY H H 1 9.012 0.02 . 1 . . . . . . . . 6584 1 173 . 1 1 60 60 GLY CA C 13 41.553 0.1 . 1 . . . . . . . . 6584 1 174 . 1 1 63 63 ASP N N 15 115.090 0.1 . 1 . . . . . . . . 6584 1 175 . 1 1 63 63 ASP H H 1 8.638 0.02 . 1 . . . . . . . . 6584 1 176 . 1 1 63 63 ASP CA C 13 52.235 0.1 . 1 . . . . . . . . 6584 1 177 . 1 1 63 63 ASP CB C 13 36.938 0.1 . 1 . . . . . . . . 6584 1 178 . 1 1 64 64 SER N N 15 113.148 0.1 . 1 . . . . . . . . 6584 1 179 . 1 1 64 64 SER H H 1 7.797 0.02 . 1 . . . . . . . . 6584 1 180 . 1 1 64 64 SER CA C 13 55.004 0.1 . 1 . . . . . . . . 6584 1 181 . 1 1 64 64 SER CB C 13 66.016 0.1 . 1 . . . . . . . . 6584 1 182 . 1 1 65 65 ALA N N 15 122.649 0.1 . 1 . . . . . . . . 6584 1 183 . 1 1 65 65 ALA H H 1 9.149 0.02 . 1 . . . . . . . . 6584 1 184 . 1 1 65 65 ALA CA C 13 50.916 0.1 . 1 . . . . . . . . 6584 1 185 . 1 1 65 65 ALA CB C 13 16.299 0.1 . 1 . . . . . . . . 6584 1 186 . 1 1 66 66 TYR N N 15 113.558 0.1 . 1 . . . . . . . . 6584 1 187 . 1 1 66 66 TYR H H 1 7.377 0.02 . 1 . . . . . . . . 6584 1 188 . 1 1 66 66 TYR CA C 13 53.290 0.1 . 1 . . . . . . . . 6584 1 189 . 1 1 66 66 TYR CB C 13 36.080 0.1 . 1 . . . . . . . . 6584 1 190 . 1 1 67 67 GLN N N 15 120.240 0.1 . 1 . . . . . . . . 6584 1 191 . 1 1 67 67 GLN H H 1 7.103 0.02 . 1 . . . . . . . . 6584 1 192 . 1 1 67 67 GLN CA C 13 54.872 0.1 . 1 . . . . . . . . 6584 1 193 . 1 1 67 67 GLN CB C 13 25.794 0.1 . 1 . . . . . . . . 6584 1 194 . 1 1 68 68 GLY N N 15 114.443 0.1 . 1 . . . . . . . . 6584 1 195 . 1 1 68 68 GLY H H 1 9.054 0.02 . 1 . . . . . . . . 6584 1 196 . 1 1 68 68 GLY CA C 13 42.410 0.1 . 1 . . . . . . . . 6584 1 197 . 1 1 69 69 GLY N N 15 105.481 0.1 . 1 . . . . . . . . 6584 1 198 . 1 1 69 69 GLY H H 1 8.290 0.02 . 1 . . . . . . . . 6584 1 199 . 1 1 69 69 GLY CA C 13 42.293 0.1 . 1 . . . . . . . . 6584 1 200 . 1 1 70 70 VAL N N 15 124.470 0.1 . 1 . . . . . . . . 6584 1 201 . 1 1 70 70 VAL H H 1 8.793 0.02 . 1 . . . . . . . . 6584 1 202 . 1 1 70 70 VAL CA C 13 59.766 0.1 . 1 . . . . . . . . 6584 1 203 . 1 1 70 70 VAL CB C 13 30.344 0.1 . 1 . . . . . . . . 6584 1 204 . 1 1 71 71 PHE N N 15 123.903 0.1 . 1 . . . . . . . . 6584 1 205 . 1 1 71 71 PHE H H 1 8.902 0.02 . 1 . . . . . . . . 6584 1 206 . 1 1 71 71 PHE CA C 13 53.964 0.1 . 1 . . . . . . . . 6584 1 207 . 1 1 71 71 PHE CB C 13 38.520 0.1 . 1 . . . . . . . . 6584 1 208 . 1 1 72 72 LYS N N 15 120.818 0.1 . 1 . . . . . . . . 6584 1 209 . 1 1 72 72 LYS H H 1 9.115 0.02 . 1 . . . . . . . . 6584 1 210 . 1 1 72 72 LYS CA C 13 52.433 0.1 . 1 . . . . . . . . 6584 1 211 . 1 1 72 72 LYS CB C 13 30.608 0.1 . 1 . . . . . . . . 6584 1 212 . 1 1 73 73 LEU N N 15 119.817 0.1 . 1 . . . . . . . . 6584 1 213 . 1 1 73 73 LEU H H 1 8.901 0.02 . 1 . . . . . . . . 6584 1 214 . 1 1 73 73 LEU CA C 13 52.235 0.1 . 1 . . . . . . . . 6584 1 215 . 1 1 73 73 LEU CB C 13 42.806 0.1 . 1 . . . . . . . . 6584 1 216 . 1 1 74 74 THR N N 15 112.610 0.1 . 1 . . . . . . . . 6584 1 217 . 1 1 74 74 THR H H 1 9.029 0.02 . 1 . . . . . . . . 6584 1 218 . 1 1 74 74 THR CA C 13 57.459 0.1 . 1 . . . . . . . . 6584 1 219 . 1 1 74 74 THR CB C 13 68.521 0.1 . 1 . . . . . . . . 6584 1 220 . 1 1 75 75 VAL N N 15 120.675 0.1 . 1 . . . . . . . . 6584 1 221 . 1 1 75 75 VAL H H 1 8.047 0.02 . 1 . . . . . . . . 6584 1 222 . 1 1 75 75 VAL CA C 13 57.591 0.1 . 1 . . . . . . . . 6584 1 223 . 1 1 75 75 VAL CB C 13 31.663 0.1 . 1 . . . . . . . . 6584 1 224 . 1 1 76 76 HIS N N 15 124.770 0.1 . 1 . . . . . . . . 6584 1 225 . 1 1 76 76 HIS H H 1 8.863 0.02 . 1 . . . . . . . . 6584 1 226 . 1 1 76 76 HIS CA C 13 50.850 0.1 . 1 . . . . . . . . 6584 1 227 . 1 1 76 76 HIS CB C 13 29.157 0.1 . 1 . . . . . . . . 6584 1 228 . 1 1 77 77 PHE N N 15 126.004 0.1 . 1 . . . . . . . . 6584 1 229 . 1 1 77 77 PHE H H 1 8.905 0.02 . 1 . . . . . . . . 6584 1 230 . 1 1 77 77 PHE CA C 13 53.620 0.1 . 1 . . . . . . . . 6584 1 231 . 1 1 77 77 PHE CB C 13 37.531 0.1 . 1 . . . . . . . . 6584 1 232 . 1 1 79 79 THR N N 15 110.073 0.1 . 1 . . . . . . . . 6584 1 233 . 1 1 79 79 THR H H 1 8.417 0.02 . 1 . . . . . . . . 6584 1 234 . 1 1 79 79 THR CA C 13 62.323 0.1 . 1 . . . . . . . . 6584 1 235 . 1 1 79 79 THR CB C 13 66.016 0.1 . 1 . . . . . . . . 6584 1 236 . 1 1 80 80 ASP N N 15 112.783 0.1 . 1 . . . . . . . . 6584 1 237 . 1 1 80 80 ASP H H 1 8.087 0.02 . 1 . . . . . . . . 6584 1 238 . 1 1 80 80 ASP CA C 13 49.268 0.1 . 1 . . . . . . . . 6584 1 239 . 1 1 80 80 ASP CB C 13 36.146 0.1 . 1 . . . . . . . . 6584 1 240 . 1 1 81 81 TYR N N 15 123.243 0.1 . 1 . . . . . . . . 6584 1 241 . 1 1 81 81 TYR H H 1 7.514 0.02 . 1 . . . . . . . . 6584 1 242 . 1 1 81 81 TYR CA C 13 55.466 0.1 . 1 . . . . . . . . 6584 1 243 . 1 1 81 81 TYR CB C 13 37.333 0.1 . 1 . . . . . . . . 6584 1 244 . 1 1 83 83 SER N N 15 120.818 0.1 . 1 . . . . . . . . 6584 1 245 . 1 1 83 83 SER H H 1 8.996 0.02 . 1 . . . . . . . . 6584 1 246 . 1 1 83 83 SER CA C 13 59.173 0.1 . 1 . . . . . . . . 6584 1 247 . 1 1 83 83 SER CB C 13 60.675 0.1 . 1 . . . . . . . . 6584 1 248 . 1 1 84 84 LYS N N 15 118.116 0.1 . 1 . . . . . . . . 6584 1 249 . 1 1 84 84 LYS H H 1 6.798 0.02 . 1 . . . . . . . . 6584 1 250 . 1 1 84 84 LYS CA C 13 49.334 0.1 . 1 . . . . . . . . 6584 1 251 . 1 1 84 84 LYS CB C 13 31.794 0.1 . 1 . . . . . . . . 6584 1 252 . 1 1 87 87 LYS N N 15 119.401 0.1 . 1 . . . . . . . . 6584 1 253 . 1 1 87 87 LYS CA C 13 52.433 0.1 . 1 . . . . . . . . 6584 1 254 . 1 1 87 87 LYS CB C 13 30.080 0.1 . 1 . . . . . . . . 6584 1 255 . 1 1 88 88 ILE N N 15 127.388 0.1 . 1 . . . . . . . . 6584 1 256 . 1 1 88 88 ILE H H 1 8.720 0.02 . 1 . . . . . . . . 6584 1 257 . 1 1 88 88 ILE CA C 13 56.799 0.1 . 1 . . . . . . . . 6584 1 258 . 1 1 88 88 ILE CB C 13 37.333 0.1 . 1 . . . . . . . . 6584 1 259 . 1 1 89 89 ALA N N 15 126.538 0.1 . 1 . . . . . . . . 6584 1 260 . 1 1 89 89 ALA H H 1 8.101 0.02 . 1 . . . . . . . . 6584 1 261 . 1 1 89 89 ALA CA C 13 52.103 0.1 . 1 . . . . . . . . 6584 1 262 . 1 1 89 89 ALA CB C 13 19.530 0.1 . 1 . . . . . . . . 6584 1 263 . 1 1 90 90 PHE N N 15 121.218 0.1 . 1 . . . . . . . . 6584 1 264 . 1 1 90 90 PHE H H 1 9.669 0.02 . 1 . . . . . . . . 6584 1 265 . 1 1 90 90 PHE CB C 13 37.399 0.1 . 1 . . . . . . . . 6584 1 266 . 1 1 91 91 THR N N 15 115.766 0.1 . 1 . . . . . . . . 6584 1 267 . 1 1 91 91 THR H H 1 9.410 0.02 . 1 . . . . . . . . 6584 1 268 . 1 1 91 91 THR CA C 13 60.477 0.1 . 1 . . . . . . . . 6584 1 269 . 1 1 91 91 THR CB C 13 65.752 0.1 . 1 . . . . . . . . 6584 1 270 . 1 1 92 92 THR N N 15 120.601 0.1 . 1 . . . . . . . . 6584 1 271 . 1 1 92 92 THR H H 1 7.360 0.02 . 1 . . . . . . . . 6584 1 272 . 1 1 92 92 THR CA C 13 60.741 0.1 . 1 . . . . . . . . 6584 1 273 . 1 1 92 92 THR CB C 13 68.324 0.1 . 1 . . . . . . . . 6584 1 274 . 1 1 93 93 LYS N N 15 127.455 0.1 . 1 . . . . . . . . 6584 1 275 . 1 1 93 93 LYS H H 1 8.424 0.02 . 1 . . . . . . . . 6584 1 276 . 1 1 93 93 LYS CA C 13 55.070 0.1 . 1 . . . . . . . . 6584 1 277 . 1 1 93 93 LYS CB C 13 30.080 0.1 . 1 . . . . . . . . 6584 1 278 . 1 1 94 94 ILE N N 15 119.085 0.1 . 1 . . . . . . . . 6584 1 279 . 1 1 94 94 ILE H H 1 8.259 0.02 . 1 . . . . . . . . 6584 1 280 . 1 1 94 94 ILE CA C 13 57.840 0.1 . 1 . . . . . . . . 6584 1 281 . 1 1 94 94 ILE CB C 13 38.256 0.1 . 1 . . . . . . . . 6584 1 282 . 1 1 95 95 TYR N N 15 100.093 0.1 . 1 . . . . . . . . 6584 1 283 . 1 1 95 95 TYR H H 1 8.583 0.02 . 1 . . . . . . . . 6584 1 284 . 1 1 95 95 TYR CA C 13 55.004 0.1 . 1 . . . . . . . . 6584 1 285 . 1 1 95 95 TYR CB C 13 35.223 0.1 . 1 . . . . . . . . 6584 1 286 . 1 1 96 96 HIS N N 15 128.939 0.1 . 1 . . . . . . . . 6584 1 287 . 1 1 96 96 HIS H H 1 8.483 0.02 . 1 . . . . . . . . 6584 1 288 . 1 1 96 96 HIS CA C 13 53.356 0.1 . 1 . . . . . . . . 6584 1 289 . 1 1 96 96 HIS CB C 13 32.783 0.1 . 1 . . . . . . . . 6584 1 290 . 1 1 98 98 ASN N N 15 117.492 0.1 . 1 . . . . . . . . 6584 1 291 . 1 1 98 98 ASN H H 1 11.386 0.02 . 1 . . . . . . . . 6584 1 292 . 1 1 98 98 ASN CA C 13 51.773 0.1 . 1 . . . . . . . . 6584 1 293 . 1 1 98 98 ASN CB C 13 39.179 0.1 . 1 . . . . . . . . 6584 1 294 . 1 1 99 99 ILE N N 15 119.084 0.1 . 1 . . . . . . . . 6584 1 295 . 1 1 99 99 ILE H H 1 6.996 0.02 . 1 . . . . . . . . 6584 1 296 . 1 1 99 99 ILE CA C 13 57.246 0.1 . 1 . . . . . . . . 6584 1 297 . 1 1 99 99 ILE CB C 13 39.179 0.1 . 1 . . . . . . . . 6584 1 298 . 1 1 100 100 ASN N N 15 120.301 0.1 . 1 . . . . . . . . 6584 1 299 . 1 1 100 100 ASN H H 1 7.833 0.02 . 1 . . . . . . . . 6584 1 300 . 1 1 100 100 ASN CA C 13 48.147 0.1 . 1 . . . . . . . . 6584 1 301 . 1 1 100 100 ASN CB C 13 37.201 0.1 . 1 . . . . . . . . 6584 1 302 . 1 1 101 101 SER N N 15 112.827 0.1 . 1 . . . . . . . . 6584 1 303 . 1 1 101 101 SER H H 1 8.567 0.02 . 1 . . . . . . . . 6584 1 304 . 1 1 101 101 SER CA C 13 58.235 0.1 . 1 . . . . . . . . 6584 1 305 . 1 1 101 101 SER CB C 13 60.411 0.1 . 1 . . . . . . . . 6584 1 306 . 1 1 102 102 ASN N N 15 117.717 0.1 . 1 . . . . . . . . 6584 1 307 . 1 1 102 102 ASN H H 1 7.497 0.02 . 1 . . . . . . . . 6584 1 308 . 1 1 102 102 ASN CA C 13 50.718 0.1 . 1 . . . . . . . . 6584 1 309 . 1 1 102 102 ASN CB C 13 36.278 0.1 . 1 . . . . . . . . 6584 1 310 . 1 1 103 103 GLY N N 15 109.184 0.1 . 1 . . . . . . . . 6584 1 311 . 1 1 103 103 GLY H H 1 8.334 0.02 . 1 . . . . . . . . 6584 1 312 . 1 1 103 103 GLY CA C 13 43.282 0.1 . 1 . . . . . . . . 6584 1 313 . 1 1 104 104 SER N N 15 114.546 0.1 . 1 . . . . . . . . 6584 1 314 . 1 1 104 104 SER H H 1 7.648 0.02 . 1 . . . . . . . . 6584 1 315 . 1 1 104 104 SER CA C 13 56.323 0.1 . 1 . . . . . . . . 6584 1 316 . 1 1 104 104 SER CB C 13 60.675 0.1 . 1 . . . . . . . . 6584 1 317 . 1 1 105 105 ILE N N 15 119.348 0.1 . 1 . . . . . . . . 6584 1 318 . 1 1 105 105 ILE H H 1 8.451 0.02 . 1 . . . . . . . . 6584 1 319 . 1 1 105 105 ILE CA C 13 56.851 0.1 . 1 . . . . . . . . 6584 1 320 . 1 1 105 105 ILE CB C 13 38.850 0.1 . 1 . . . . . . . . 6584 1 321 . 1 1 106 106 CYS N N 15 126.605 0.1 . 1 . . . . . . . . 6584 1 322 . 1 1 106 106 CYS H H 1 8.555 0.02 . 1 . . . . . . . . 6584 1 323 . 1 1 106 106 CYS CA C 13 54.807 0.1 . 1 . . . . . . . . 6584 1 324 . 1 1 106 106 CYS CB C 13 23.816 0.1 . 1 . . . . . . . . 6584 1 325 . 1 1 107 107 LEU N N 15 125.854 0.1 . 1 . . . . . . . . 6584 1 326 . 1 1 107 107 LEU H H 1 7.217 0.02 . 1 . . . . . . . . 6584 1 327 . 1 1 107 107 LEU CA C 13 51.246 0.1 . 1 . . . . . . . . 6584 1 328 . 1 1 107 107 LEU CB C 13 43.136 0.1 . 1 . . . . . . . . 6584 1 329 . 1 1 108 108 ASP N N 15 128.239 0.1 . 1 . . . . . . . . 6584 1 330 . 1 1 108 108 ASP H H 1 9.192 0.02 . 1 . . . . . . . . 6584 1 331 . 1 1 108 108 ASP CA C 13 55.862 0.1 . 1 . . . . . . . . 6584 1 332 . 1 1 108 108 ASP CB C 13 36.740 0.1 . 1 . . . . . . . . 6584 1 333 . 1 1 109 109 ILE N N 15 115.316 0.1 . 1 . . . . . . . . 6584 1 334 . 1 1 109 109 ILE H H 1 8.256 0.02 . 1 . . . . . . . . 6584 1 335 . 1 1 109 109 ILE CA C 13 61.679 0.1 . 1 . . . . . . . . 6584 1 336 . 1 1 109 109 ILE CB C 13 35.091 0.1 . 1 . . . . . . . . 6584 1 337 . 1 1 110 110 LEU N N 15 112.707 0.1 . 1 . . . . . . . . 6584 1 338 . 1 1 110 110 LEU H H 1 7.082 0.02 . 1 . . . . . . . . 6584 1 339 . 1 1 110 110 LEU CA C 13 51.444 0.1 . 1 . . . . . . . . 6584 1 340 . 1 1 110 110 LEU CB C 13 39.048 0.1 . 1 . . . . . . . . 6584 1 341 . 1 1 111 111 ARG N N 15 120.535 0.1 . 1 . . . . . . . . 6584 1 342 . 1 1 111 111 ARG H H 1 7.792 0.02 . 1 . . . . . . . . 6584 1 343 . 1 1 111 111 ARG CA C 13 53.568 0.1 . 1 . . . . . . . . 6584 1 344 . 1 1 111 111 ARG CB C 13 28.300 0.1 . 1 . . . . . . . . 6584 1 345 . 1 1 112 112 SER N N 15 116.835 0.1 . 1 . . . . . . . . 6584 1 346 . 1 1 112 112 SER H H 1 8.187 0.02 . 1 . . . . . . . . 6584 1 347 . 1 1 112 112 SER CA C 13 58.499 0.1 . 1 . . . . . . . . 6584 1 348 . 1 1 112 112 SER CB C 13 60.873 0.1 . 1 . . . . . . . . 6584 1 349 . 1 1 113 113 GLN N N 15 116.414 0.1 . 1 . . . . . . . . 6584 1 350 . 1 1 113 113 GLN H H 1 7.749 0.02 . 1 . . . . . . . . 6584 1 351 . 1 1 113 113 GLN CA C 13 51.707 0.1 . 1 . . . . . . . . 6584 1 352 . 1 1 113 113 GLN CB C 13 25.464 0.1 . 1 . . . . . . . . 6584 1 353 . 1 1 114 114 TRP N N 15 120.177 0.1 . 1 . . . . . . . . 6584 1 354 . 1 1 114 114 TRP H H 1 7.283 0.02 . 1 . . . . . . . . 6584 1 355 . 1 1 114 114 TRP CA C 13 56.521 0.1 . 1 . . . . . . . . 6584 1 356 . 1 1 114 114 TRP CB C 13 27.443 0.1 . 1 . . . . . . . . 6584 1 357 . 1 1 115 115 SER N N 15 119.798 0.1 . 1 . . . . . . . . 6584 1 358 . 1 1 115 115 SER H H 1 5.477 0.02 . 1 . . . . . . . . 6584 1 359 . 1 1 115 115 SER CA C 13 51.707 0.1 . 1 . . . . . . . . 6584 1 360 . 1 1 115 115 SER CB C 13 62.521 0.1 . 1 . . . . . . . . 6584 1 361 . 1 1 117 117 ALA N N 15 117.497 0.1 . 1 . . . . . . . . 6584 1 362 . 1 1 117 117 ALA H H 1 7.148 0.02 . 1 . . . . . . . . 6584 1 363 . 1 1 117 117 ALA CA C 13 50.059 0.1 . 1 . . . . . . . . 6584 1 364 . 1 1 117 117 ALA CB C 13 16.233 0.1 . 1 . . . . . . . . 6584 1 365 . 1 1 118 118 LEU N N 15 118.524 0.1 . 1 . . . . . . . . 6584 1 366 . 1 1 118 118 LEU H H 1 7.267 0.02 . 1 . . . . . . . . 6584 1 367 . 1 1 118 118 LEU CA C 13 52.103 0.1 . 1 . . . . . . . . 6584 1 368 . 1 1 118 118 LEU CB C 13 39.509 0.1 . 1 . . . . . . . . 6584 1 369 . 1 1 119 119 THR N N 15 101.236 0.1 . 1 . . . . . . . . 6584 1 370 . 1 1 119 119 THR H H 1 6.061 0.02 . 1 . . . . . . . . 6584 1 371 . 1 1 119 119 THR CA C 13 55.334 0.1 . 1 . . . . . . . . 6584 1 372 . 1 1 119 119 THR CB C 13 69.972 0.1 . 1 . . . . . . . . 6584 1 373 . 1 1 120 120 VAL N N 15 122.336 0.1 . 1 . . . . . . . . 6584 1 374 . 1 1 120 120 VAL H H 1 10.180 0.02 . 1 . . . . . . . . 6584 1 375 . 1 1 120 120 VAL CA C 13 64.763 0.1 . 1 . . . . . . . . 6584 1 376 . 1 1 120 120 VAL CB C 13 28.102 0.1 . 1 . . . . . . . . 6584 1 377 . 1 1 122 122 LYS N N 15 118.617 0.1 . 1 . . . . . . . . 6584 1 378 . 1 1 122 122 LYS H H 1 7.572 0.02 . 1 . . . . . . . . 6584 1 379 . 1 1 122 122 LYS CA C 13 56.437 0.1 . 1 . . . . . . . . 6584 1 380 . 1 1 122 122 LYS CB C 13 29.750 0.1 . 1 . . . . . . . . 6584 1 381 . 1 1 123 123 VAL N N 15 121.019 0.1 . 1 . . . . . . . . 6584 1 382 . 1 1 123 123 VAL H H 1 8.426 0.02 . 1 . . . . . . . . 6584 1 383 . 1 1 123 123 VAL CA C 13 64.200 0.1 . 1 . . . . . . . . 6584 1 384 . 1 1 123 123 VAL CB C 13 28.564 0.1 . 1 . . . . . . . . 6584 1 385 . 1 1 124 124 LEU N N 15 118.534 0.1 . 1 . . . . . . . . 6584 1 386 . 1 1 124 124 LEU H H 1 8.813 0.02 . 1 . . . . . . . . 6584 1 387 . 1 1 124 124 LEU CA C 13 55.678 0.1 . 1 . . . . . . . . 6584 1 388 . 1 1 124 124 LEU CB C 13 37.663 0.1 . 1 . . . . . . . . 6584 1 389 . 1 1 125 125 LEU N N 15 119.238 0.1 . 1 . . . . . . . . 6584 1 390 . 1 1 125 125 LEU H H 1 8.063 0.02 . 1 . . . . . . . . 6584 1 391 . 1 1 125 125 LEU CA C 13 55.744 0.1 . 1 . . . . . . . . 6584 1 392 . 1 1 125 125 LEU CB C 13 38.586 0.1 . 1 . . . . . . . . 6584 1 393 . 1 1 126 126 SER N N 15 116.616 0.1 . 1 . . . . . . . . 6584 1 394 . 1 1 126 126 SER H H 1 8.003 0.02 . 1 . . . . . . . . 6584 1 395 . 1 1 126 126 SER CA C 13 59.832 0.1 . 1 . . . . . . . . 6584 1 396 . 1 1 127 127 ILE N N 15 123.477 0.1 . 1 . . . . . . . . 6584 1 397 . 1 1 127 127 ILE H H 1 8.396 0.02 . 1 . . . . . . . . 6584 1 398 . 1 1 127 127 ILE CA C 13 63.498 0.1 . 1 . . . . . . . . 6584 1 399 . 1 1 127 127 ILE CB C 13 34.762 0.1 . 1 . . . . . . . . 6584 1 400 . 1 1 128 128 CYS N N 15 118.219 0.1 . 1 . . . . . . . . 6584 1 401 . 1 1 128 128 CYS H H 1 8.203 0.02 . 1 . . . . . . . . 6584 1 402 . 1 1 128 128 CYS CA C 13 62.917 0.1 . 1 . . . . . . . . 6584 1 403 . 1 1 128 128 CYS CB C 13 23.882 0.1 . 1 . . . . . . . . 6584 1 404 . 1 1 129 129 SER N N 15 113.506 0.1 . 1 . . . . . . . . 6584 1 405 . 1 1 129 129 SER H H 1 8.061 0.02 . 1 . . . . . . . . 6584 1 406 . 1 1 129 129 SER CA C 13 59.012 0.1 . 1 . . . . . . . . 6584 1 407 . 1 1 129 129 SER CB C 13 60.411 0.1 . 1 . . . . . . . . 6584 1 408 . 1 1 130 130 LEU N N 15 123.153 0.1 . 1 . . . . . . . . 6584 1 409 . 1 1 130 130 LEU H H 1 7.746 0.02 . 1 . . . . . . . . 6584 1 410 . 1 1 130 130 LEU CB C 13 39.575 0.1 . 1 . . . . . . . . 6584 1 411 . 1 1 130 130 LEU CA C 13 53.502 0.1 . 1 . . . . . . . . 6584 1 412 . 1 1 131 131 LEU N N 15 118.550 0.1 . 1 . . . . . . . . 6584 1 413 . 1 1 131 131 LEU H H 1 7.885 0.02 . 1 . . . . . . . . 6584 1 414 . 1 1 131 131 LEU CB C 13 37.663 0.1 . 1 . . . . . . . . 6584 1 415 . 1 1 131 131 LEU CA C 13 56.059 0.1 . 1 . . . . . . . . 6584 1 416 . 1 1 132 132 CYS N N 15 113.230 0.1 . 1 . . . . . . . . 6584 1 417 . 1 1 132 132 CYS H H 1 7.150 0.02 . 1 . . . . . . . . 6584 1 418 . 1 1 132 132 CYS CA C 13 59.422 0.1 . 1 . . . . . . . . 6584 1 419 . 1 1 132 132 CYS CB C 13 25.135 0.1 . 1 . . . . . . . . 6584 1 420 . 1 1 133 133 ASP N N 15 117.648 0.1 . 1 . . . . . . . . 6584 1 421 . 1 1 133 133 ASP H H 1 8.087 0.02 . 1 . . . . . . . . 6584 1 422 . 1 1 133 133 ASP CA C 13 49.466 0.1 . 1 . . . . . . . . 6584 1 423 . 1 1 133 133 ASP CB C 13 39.443 0.1 . 1 . . . . . . . . 6584 1 424 . 1 1 135 135 ASN N N 15 114.486 0.1 . 1 . . . . . . . . 6584 1 425 . 1 1 135 135 ASN H H 1 8.528 0.02 . 1 . . . . . . . . 6584 1 426 . 1 1 135 135 ASN CA C 13 46.564 0.1 . 1 . . . . . . . . 6584 1 427 . 1 1 135 135 ASN CB C 13 36.212 0.1 . 1 . . . . . . . . 6584 1 428 . 1 1 137 137 ASP N N 15 116.933 0.1 . 1 . . . . . . . . 6584 1 429 . 1 1 137 137 ASP H H 1 7.585 0.02 . 1 . . . . . . . . 6584 1 430 . 1 1 137 137 ASP CA C 13 52.762 0.1 . 1 . . . . . . . . 6584 1 431 . 1 1 137 137 ASP CB C 13 37.993 0.1 . 1 . . . . . . . . 6584 1 432 . 1 1 138 138 ASP N N 15 117.261 0.1 . 1 . . . . . . . . 6584 1 433 . 1 1 138 138 ASP H H 1 6.604 0.02 . 1 . . . . . . . . 6584 1 434 . 1 1 138 138 ASP CA C 13 49.070 0.1 . 1 . . . . . . . . 6584 1 435 . 1 1 138 138 ASP CB C 13 38.256 0.1 . 1 . . . . . . . . 6584 1 436 . 1 1 140 140 LEU N N 15 118.200 0.1 . 1 . . . . . . . . 6584 1 437 . 1 1 140 140 LEU H H 1 8.505 0.02 . 1 . . . . . . . . 6584 1 438 . 1 1 140 140 LEU CA C 13 52.762 0.1 . 1 . . . . . . . . 6584 1 439 . 1 1 140 140 LEU CB C 13 41.026 0.1 . 1 . . . . . . . . 6584 1 440 . 1 1 141 141 VAL N N 15 117.416 0.1 . 1 . . . . . . . . 6584 1 441 . 1 1 141 141 VAL H H 1 7.465 0.02 . 1 . . . . . . . . 6584 1 442 . 1 1 141 141 VAL CA C 13 56.338 0.1 . 1 . . . . . . . . 6584 1 443 . 1 1 141 141 VAL CB C 13 28.959 0.1 . 1 . . . . . . . . 6584 1 444 . 1 1 143 143 ASP N N 15 115.799 0.1 . 1 . . . . . . . . 6584 1 445 . 1 1 143 143 ASP H H 1 9.038 0.02 . 1 . . . . . . . . 6584 1 446 . 1 1 143 143 ASP CA C 13 54.426 0.1 . 1 . . . . . . . . 6584 1 447 . 1 1 143 143 ASP CB C 13 36.938 0.1 . 1 . . . . . . . . 6584 1 448 . 1 1 144 144 ILE N N 15 117.981 0.1 . 1 . . . . . . . . 6584 1 449 . 1 1 144 144 ILE H H 1 6.796 0.02 . 1 . . . . . . . . 6584 1 450 . 1 1 144 144 ILE CA C 13 62.389 0.1 . 1 . . . . . . . . 6584 1 451 . 1 1 144 144 ILE CB C 13 35.553 0.1 . 1 . . . . . . . . 6584 1 452 . 1 1 145 145 ALA N N 15 120.906 0.1 . 1 . . . . . . . . 6584 1 453 . 1 1 145 145 ALA H H 1 7.663 0.02 . 1 . . . . . . . . 6584 1 454 . 1 1 145 145 ALA CA C 13 52.960 0.1 . 1 . . . . . . . . 6584 1 455 . 1 1 145 145 ALA CB C 13 15.904 0.1 . 1 . . . . . . . . 6584 1 456 . 1 1 146 146 GLN N N 15 114.476 0.1 . 1 . . . . . . . . 6584 1 457 . 1 1 146 146 GLN H H 1 7.895 0.02 . 1 . . . . . . . . 6584 1 458 . 1 1 146 146 GLN CA C 13 56.059 0.1 . 1 . . . . . . . . 6584 1 459 . 1 1 146 146 GLN CB C 13 25.201 0.1 . 1 . . . . . . . . 6584 1 460 . 1 1 147 147 ILE N N 15 121.085 0.1 . 1 . . . . . . . . 6584 1 461 . 1 1 147 147 ILE H H 1 7.456 0.02 . 1 . . . . . . . . 6584 1 462 . 1 1 147 147 ILE CA C 13 61.928 0.1 . 1 . . . . . . . . 6584 1 463 . 1 1 147 147 ILE CB C 13 35.157 0.1 . 1 . . . . . . . . 6584 1 464 . 1 1 148 148 TYR N N 15 118.100 0.1 . 1 . . . . . . . . 6584 1 465 . 1 1 148 148 TYR H H 1 8.398 0.02 . 1 . . . . . . . . 6584 1 466 . 1 1 148 148 TYR CA C 13 59.950 0.1 . 1 . . . . . . . . 6584 1 467 . 1 1 148 148 TYR CB C 13 35.355 0.1 . 1 . . . . . . . . 6584 1 468 . 1 1 149 149 LYS N N 15 111.073 0.1 . 1 . . . . . . . . 6584 1 469 . 1 1 149 149 LYS H H 1 7.525 0.02 . 1 . . . . . . . . 6584 1 470 . 1 1 149 149 LYS CA C 13 56.125 0.1 . 1 . . . . . . . . 6584 1 471 . 1 1 149 149 LYS CB C 13 30.476 0.1 . 1 . . . . . . . . 6584 1 472 . 1 1 150 150 SER N N 15 111.712 0.1 . 1 . . . . . . . . 6584 1 473 . 1 1 150 150 SER H H 1 7.803 0.02 . 1 . . . . . . . . 6584 1 474 . 1 1 150 150 SER CA C 13 57.378 0.1 . 1 . . . . . . . . 6584 1 475 . 1 1 150 150 SER CB C 13 62.587 0.1 . 1 . . . . . . . . 6584 1 476 . 1 1 151 151 ASP N N 15 123.753 0.1 . 1 . . . . . . . . 6584 1 477 . 1 1 151 151 ASP H H 1 8.950 0.02 . 1 . . . . . . . . 6584 1 478 . 1 1 151 151 ASP CA C 13 50.784 0.1 . 1 . . . . . . . . 6584 1 479 . 1 1 151 151 ASP CB C 13 38.124 0.1 . 1 . . . . . . . . 6584 1 480 . 1 1 152 152 LYS N N 15 124.119 0.1 . 1 . . . . . . . . 6584 1 481 . 1 1 152 152 LYS H H 1 8.583 0.02 . 1 . . . . . . . . 6584 1 482 . 1 1 152 152 LYS CA C 13 56.389 0.1 . 1 . . . . . . . . 6584 1 483 . 1 1 152 152 LYS CB C 13 29.289 0.1 . 1 . . . . . . . . 6584 1 484 . 1 1 153 153 GLU N N 15 116.633 0.1 . 1 . . . . . . . . 6584 1 485 . 1 1 153 153 GLU H H 1 8.155 0.02 . 1 . . . . . . . . 6584 1 486 . 1 1 153 153 GLU CA C 13 56.587 0.1 . 1 . . . . . . . . 6584 1 487 . 1 1 153 153 GLU CB C 13 26.058 0.1 . 1 . . . . . . . . 6584 1 488 . 1 1 154 154 LYS N N 15 122.120 0.1 . 1 . . . . . . . . 6584 1 489 . 1 1 154 154 LYS H H 1 7.524 0.02 . 1 . . . . . . . . 6584 1 490 . 1 1 154 154 LYS CA C 13 56.719 0.1 . 1 . . . . . . . . 6584 1 491 . 1 1 154 154 LYS CB C 13 29.487 0.1 . 1 . . . . . . . . 6584 1 492 . 1 1 155 155 TYR N N 15 118.067 0.1 . 1 . . . . . . . . 6584 1 493 . 1 1 155 155 TYR H H 1 8.166 0.02 . 1 . . . . . . . . 6584 1 494 . 1 1 155 155 TYR CA C 13 59.752 0.1 . 1 . . . . . . . . 6584 1 495 . 1 1 155 155 TYR CB C 13 35.289 0.1 . 1 . . . . . . . . 6584 1 496 . 1 1 156 156 ASN N N 15 116.849 0.1 . 1 . . . . . . . . 6584 1 497 . 1 1 156 156 ASN H H 1 8.627 0.02 . 1 . . . . . . . . 6584 1 498 . 1 1 156 156 ASN CA C 13 53.041 0.1 . 1 . . . . . . . . 6584 1 499 . 1 1 156 156 ASN CB C 13 35.289 0.1 . 1 . . . . . . . . 6584 1 500 . 1 1 157 157 ARG N N 15 119.506 0.1 . 1 . . . . . . . . 6584 1 501 . 1 1 157 157 ARG H H 1 7.864 0.02 . 1 . . . . . . . . 6584 1 502 . 1 1 157 157 ARG CA C 13 57.297 0.1 . 1 . . . . . . . . 6584 1 503 . 1 1 157 157 ARG CB C 13 26.953 0.1 . 1 . . . . . . . . 6584 1 504 . 1 1 158 158 HIS N N 15 117.333 0.1 . 1 . . . . . . . . 6584 1 505 . 1 1 158 158 HIS H H 1 7.772 0.02 . 1 . . . . . . . . 6584 1 506 . 1 1 158 158 HIS CA C 13 55.261 0.1 . 1 . . . . . . . . 6584 1 507 . 1 1 158 158 HIS CB C 13 24.851 0.1 . 1 . . . . . . . . 6584 1 508 . 1 1 159 159 ALA N N 15 120.711 0.1 . 1 . . . . . . . . 6584 1 509 . 1 1 159 159 ALA H H 1 8.462 0.02 . 1 . . . . . . . . 6584 1 510 . 1 1 159 159 ALA CA C 13 52.962 0.1 . 1 . . . . . . . . 6584 1 511 . 1 1 159 159 ALA CB C 13 14.802 0.1 . 1 . . . . . . . . 6584 1 512 . 1 1 160 160 ARG N N 15 120.771 0.1 . 1 . . . . . . . . 6584 1 513 . 1 1 160 160 ARG H H 1 8.445 0.02 . 1 . . . . . . . . 6584 1 514 . 1 1 160 160 ARG CA C 13 56.969 0.1 . 1 . . . . . . . . 6584 1 515 . 1 1 160 160 ARG CB C 13 27.478 0.1 . 1 . . . . . . . . 6584 1 516 . 1 1 161 161 GLU N N 15 121.011 0.1 . 1 . . . . . . . . 6584 1 517 . 1 1 161 161 GLU CA C 13 57.034 0.1 . 1 . . . . . . . . 6584 1 518 . 1 1 161 161 GLU CB C 13 26.493 0.1 . 1 . . . . . . . . 6584 1 519 . 1 1 162 162 TRP N N 15 118.417 0.1 . 1 . . . . . . . . 6584 1 520 . 1 1 162 162 TRP H H 1 9.081 0.02 . 1 . . . . . . . . 6584 1 521 . 1 1 162 162 TRP CA C 13 58.646 0.1 . 1 . . . . . . . . 6584 1 522 . 1 1 162 162 TRP CB C 13 26.559 0.1 . 1 . . . . . . . . 6584 1 523 . 1 1 163 163 THR N N 15 123.737 0.1 . 1 . . . . . . . . 6584 1 524 . 1 1 163 163 THR H H 1 8.403 0.02 . 1 . . . . . . . . 6584 1 525 . 1 1 163 163 THR CA C 13 66.361 0.1 . 1 . . . . . . . . 6584 1 526 . 1 1 163 163 THR CB C 13 65.113 0.1 . 1 . . . . . . . . 6584 1 527 . 1 1 164 164 GLN N N 15 118.425 0.1 . 1 . . . . . . . . 6584 1 528 . 1 1 164 164 GLN H H 1 7.977 0.02 . 1 . . . . . . . . 6584 1 529 . 1 1 164 164 GLN CA C 13 55.589 0.1 . 1 . . . . . . . . 6584 1 530 . 1 1 164 164 GLN CB C 13 25.574 0.1 . 1 . . . . . . . . 6584 1 531 . 1 1 165 165 LYS N N 15 114.849 0.1 . 1 . . . . . . . . 6584 1 532 . 1 1 165 165 LYS H H 1 7.795 0.02 . 1 . . . . . . . . 6584 1 533 . 1 1 165 165 LYS CA C 13 56.049 0.1 . 1 . . . . . . . . 6584 1 534 . 1 1 165 165 LYS CB C 13 30.697 0.1 . 1 . . . . . . . . 6584 1 535 . 1 1 166 166 TYR N N 15 111.280 0.1 . 1 . . . . . . . . 6584 1 536 . 1 1 166 166 TYR H H 1 7.877 0.02 . 1 . . . . . . . . 6584 1 537 . 1 1 166 166 TYR CA C 13 55.524 0.1 . 1 . . . . . . . . 6584 1 538 . 1 1 166 166 TYR CB C 13 38.053 0.1 . 1 . . . . . . . . 6584 1 539 . 1 1 167 167 ALA N N 15 122.319 0.1 . 1 . . . . . . . . 6584 1 540 . 1 1 167 167 ALA H H 1 8.088 0.02 . 1 . . . . . . . . 6584 1 541 . 1 1 167 167 ALA CA C 13 48.824 0.1 . 1 . . . . . . . . 6584 1 542 . 1 1 167 167 ALA CB C 13 18.809 0.1 . 1 . . . . . . . . 6584 1 543 . 1 1 168 168 MET N N 15 121.919 0.1 . 1 . . . . . . . . 6584 1 544 . 1 1 168 168 MET H H 1 7.210 0.02 . 1 . . . . . . . . 6584 1 545 . 1 1 168 168 MET CA C 13 54.407 0.1 . 1 . . . . . . . . 6584 1 546 . 1 1 168 168 MET CB C 13 32.273 0.1 . 1 . . . . . . . . 6584 1 stop_ save_