data_27799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27799 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of an Ube2S (C95S/C118M/K100C) - ubiquitin (G76C) -conjugate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-22 _Entry.Accession_date 2019-02-22 _Entry.Last_release_date 2019-02-22 _Entry.Original_release_date 2019-02-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Kristian Schweimer . . . . 27799 2 Anna Liess . K.L. . . 27799 3 Sonja Lorenz . . . . 27799 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biopolymers, Universitaet Bayreuth' . 27799 2 . 'Rudolf-Virchow-Zentrum, Universitaet Wuerzburg' . 27799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 162 27799 '15N chemical shifts' 144 27799 '1H chemical shifts' 143 27799 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 3 . . 2021-05-06 2019-02-22 update author 'update entry title' 27799 2 . . 2019-09-20 2019-02-22 update BMRB 'update entry citation' 27799 1 . . 2019-06-27 2019-02-22 original author 'original release' 27799 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17437 '1H, 13C and 15N backbone chemical shift assignments of the UBC domain of Ube2S WT' 27799 BMRB 27798 '1H, 13C and 15N backbone chemical shift assignments of a mutated variant of UBE2S' 27799 PDB 1zdn 'Crystall structure of the UBC domain of the Ubiquitin-conjugating enzyme E2S WT' 27799 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27799 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31230944 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 8 _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 1195 _Citation.Page_last 1210 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anna Liess . . . . 27799 1 2 Alena Kucerova A. . . . 27799 1 3 Kristian Schweimer K. . . . 27799 1 4 Lu Yu L. . . . 27799 1 5 Theodoros Roumeliotis T. I. . . 27799 1 6 Mathias Diebold M. . . . 27799 1 7 Olexandr Dybkov O. . . . 27799 1 8 Christoph Sotriffer C. . . . 27799 1 9 Henning Urlaub H. . . . 27799 1 10 Jyoti Choudhary J. S. . . 27799 1 11 Jorg Mansfeld J. . . . 27799 1 12 Sonja Lorenz S. . . . 27799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27799 _Assembly.ID 1 _Assembly.Name UBE2S-Ubiquitin-conjugate _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25948.88 _Assembly.Enzyme_commission_number . _Assembly.Details 'UBE2S UBC C95S,K100C, C118M-Ubiquitin G76C-conjugate' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UBE2S 1 $UBE2S A . yes native no no . . 'covalently linked UBE2S-Ubiquitin-conjugate' 27799 1 2 Ubiquitin 2 $Ubiquitin B . yes native no no . . 'covalently linked UBE2S-Ubiquitin-conjugate' 27799 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_asym_ID_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_asym_ID_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 100 100 SG . 2 . 2 CYS 76 76 SG . UBE2S . 100 CYS SG . Ubiquitin . 276 CYS SG 27799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBE2S _Entity.Sf_category entity _Entity.Sf_framecode UBE2S _Entity.Entry_ID 27799 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBE2S _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 ; MNSNVENLPPHIIRLVYKEV TTLTADPPDGIKVFPNEEDL TDLQVTIEGPEGTPYAGGLF RMKLLLGKDFPASPPKGYFL TKIFHPNVGANGEISVNVLC RDWTAELGIRHVLLTIKMLL IHPNPESALNEEAGRLLLEN YEEYAARARLLTEIHG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Molecular entity consists of UBE2S (residues 1-156) and ubiquitin (residues 1-76, numbering here:201-276), linked by an disulfide bond. ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; UBE2S: C95S, K100C, C118M Ubiquitin: G76C ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin-conjugating enzyme' 27799 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 1 MET . 27799 1 2 2 ASN . 27799 1 3 3 SER . 27799 1 4 4 ASN . 27799 1 5 5 VAL . 27799 1 6 6 GLU . 27799 1 7 7 ASN . 27799 1 8 8 LEU . 27799 1 9 9 PRO . 27799 1 10 10 PRO . 27799 1 11 11 HIS . 27799 1 12 12 ILE . 27799 1 13 13 ILE . 27799 1 14 14 ARG . 27799 1 15 15 LEU . 27799 1 16 16 VAL . 27799 1 17 17 TYR . 27799 1 18 18 LYS . 27799 1 19 19 GLU . 27799 1 20 20 VAL . 27799 1 21 21 THR . 27799 1 22 22 THR . 27799 1 23 23 LEU . 27799 1 24 24 THR . 27799 1 25 25 ALA . 27799 1 26 26 ASP . 27799 1 27 27 PRO . 27799 1 28 28 PRO . 27799 1 29 29 ASP . 27799 1 30 30 GLY . 27799 1 31 31 ILE . 27799 1 32 32 LYS . 27799 1 33 33 VAL . 27799 1 34 34 PHE . 27799 1 35 35 PRO . 27799 1 36 36 ASN . 27799 1 37 37 GLU . 27799 1 38 38 GLU . 27799 1 39 39 ASP . 27799 1 40 40 LEU . 27799 1 41 41 THR . 27799 1 42 42 ASP . 27799 1 43 43 LEU . 27799 1 44 44 GLN . 27799 1 45 45 VAL . 27799 1 46 46 THR . 27799 1 47 47 ILE . 27799 1 48 48 GLU . 27799 1 49 49 GLY . 27799 1 50 50 PRO . 27799 1 51 51 GLU . 27799 1 52 52 GLY . 27799 1 53 53 THR . 27799 1 54 54 PRO . 27799 1 55 55 TYR . 27799 1 56 56 ALA . 27799 1 57 57 GLY . 27799 1 58 58 GLY . 27799 1 59 59 LEU . 27799 1 60 60 PHE . 27799 1 61 61 ARG . 27799 1 62 62 MET . 27799 1 63 63 LYS . 27799 1 64 64 LEU . 27799 1 65 65 LEU . 27799 1 66 66 LEU . 27799 1 67 67 GLY . 27799 1 68 68 LYS . 27799 1 69 69 ASP . 27799 1 70 70 PHE . 27799 1 71 71 PRO . 27799 1 72 72 ALA . 27799 1 73 73 SER . 27799 1 74 74 PRO . 27799 1 75 75 PRO . 27799 1 76 76 LYS . 27799 1 77 77 GLY . 27799 1 78 78 TYR . 27799 1 79 79 PHE . 27799 1 80 80 LEU . 27799 1 81 81 THR . 27799 1 82 82 LYS . 27799 1 83 83 ILE . 27799 1 84 84 PHE . 27799 1 85 85 HIS . 27799 1 86 86 PRO . 27799 1 87 87 ASN . 27799 1 88 88 VAL . 27799 1 89 89 GLY . 27799 1 90 90 ALA . 27799 1 91 91 ASN . 27799 1 92 92 GLY . 27799 1 93 93 GLU . 27799 1 94 94 ILE . 27799 1 95 95 SER . 27799 1 96 96 VAL . 27799 1 97 97 ASN . 27799 1 98 98 VAL . 27799 1 99 99 LEU . 27799 1 100 100 CYS . 27799 1 101 101 ARG . 27799 1 102 102 ASP . 27799 1 103 103 TRP . 27799 1 104 104 THR . 27799 1 105 105 ALA . 27799 1 106 106 GLU . 27799 1 107 107 LEU . 27799 1 108 108 GLY . 27799 1 109 109 ILE . 27799 1 110 110 ARG . 27799 1 111 111 HIS . 27799 1 112 112 VAL . 27799 1 113 113 LEU . 27799 1 114 114 LEU . 27799 1 115 115 THR . 27799 1 116 116 ILE . 27799 1 117 117 LYS . 27799 1 118 118 MET . 27799 1 119 119 LEU . 27799 1 120 120 LEU . 27799 1 121 121 ILE . 27799 1 122 122 HIS . 27799 1 123 123 PRO . 27799 1 124 124 ASN . 27799 1 125 125 PRO . 27799 1 126 126 GLU . 27799 1 127 127 SER . 27799 1 128 128 ALA . 27799 1 129 129 LEU . 27799 1 130 130 ASN . 27799 1 131 131 GLU . 27799 1 132 132 GLU . 27799 1 133 133 ALA . 27799 1 134 134 GLY . 27799 1 135 135 ARG . 27799 1 136 136 LEU . 27799 1 137 137 LEU . 27799 1 138 138 LEU . 27799 1 139 139 GLU . 27799 1 140 140 ASN . 27799 1 141 141 TYR . 27799 1 142 142 GLU . 27799 1 143 143 GLU . 27799 1 144 144 TYR . 27799 1 145 145 ALA . 27799 1 146 146 ALA . 27799 1 147 147 ARG . 27799 1 148 148 ALA . 27799 1 149 149 ARG . 27799 1 150 150 LEU . 27799 1 151 151 LEU . 27799 1 152 152 THR . 27799 1 153 153 GLU . 27799 1 154 154 ILE . 27799 1 155 155 HIS . 27799 1 156 156 GLY . 27799 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 27799 1 . ASN 2 2 27799 1 . SER 3 3 27799 1 . ASN 4 4 27799 1 . VAL 5 5 27799 1 . GLU 6 6 27799 1 . ASN 7 7 27799 1 . LEU 8 8 27799 1 . PRO 9 9 27799 1 . PRO 10 10 27799 1 . HIS 11 11 27799 1 . ILE 12 12 27799 1 . ILE 13 13 27799 1 . ARG 14 14 27799 1 . LEU 15 15 27799 1 . VAL 16 16 27799 1 . TYR 17 17 27799 1 . LYS 18 18 27799 1 . GLU 19 19 27799 1 . VAL 20 20 27799 1 . THR 21 21 27799 1 . THR 22 22 27799 1 . LEU 23 23 27799 1 . THR 24 24 27799 1 . ALA 25 25 27799 1 . ASP 26 26 27799 1 . PRO 27 27 27799 1 . PRO 28 28 27799 1 . ASP 29 29 27799 1 . GLY 30 30 27799 1 . ILE 31 31 27799 1 . LYS 32 32 27799 1 . VAL 33 33 27799 1 . PHE 34 34 27799 1 . PRO 35 35 27799 1 . ASN 36 36 27799 1 . GLU 37 37 27799 1 . GLU 38 38 27799 1 . ASP 39 39 27799 1 . LEU 40 40 27799 1 . THR 41 41 27799 1 . ASP 42 42 27799 1 . LEU 43 43 27799 1 . GLN 44 44 27799 1 . VAL 45 45 27799 1 . THR 46 46 27799 1 . ILE 47 47 27799 1 . GLU 48 48 27799 1 . GLY 49 49 27799 1 . PRO 50 50 27799 1 . GLU 51 51 27799 1 . GLY 52 52 27799 1 . THR 53 53 27799 1 . PRO 54 54 27799 1 . TYR 55 55 27799 1 . ALA 56 56 27799 1 . GLY 57 57 27799 1 . GLY 58 58 27799 1 . LEU 59 59 27799 1 . PHE 60 60 27799 1 . ARG 61 61 27799 1 . MET 62 62 27799 1 . LYS 63 63 27799 1 . LEU 64 64 27799 1 . LEU 65 65 27799 1 . LEU 66 66 27799 1 . GLY 67 67 27799 1 . LYS 68 68 27799 1 . ASP 69 69 27799 1 . PHE 70 70 27799 1 . PRO 71 71 27799 1 . ALA 72 72 27799 1 . SER 73 73 27799 1 . PRO 74 74 27799 1 . PRO 75 75 27799 1 . LYS 76 76 27799 1 . GLY 77 77 27799 1 . TYR 78 78 27799 1 . PHE 79 79 27799 1 . LEU 80 80 27799 1 . THR 81 81 27799 1 . LYS 82 82 27799 1 . ILE 83 83 27799 1 . PHE 84 84 27799 1 . HIS 85 85 27799 1 . PRO 86 86 27799 1 . ASN 87 87 27799 1 . VAL 88 88 27799 1 . GLY 89 89 27799 1 . ALA 90 90 27799 1 . ASN 91 91 27799 1 . GLY 92 92 27799 1 . GLU 93 93 27799 1 . ILE 94 94 27799 1 . SER 95 95 27799 1 . VAL 96 96 27799 1 . ASN 97 97 27799 1 . VAL 98 98 27799 1 . LEU 99 99 27799 1 . CYS 100 100 27799 1 . ARG 101 101 27799 1 . ASP 102 102 27799 1 . TRP 103 103 27799 1 . THR 104 104 27799 1 . ALA 105 105 27799 1 . GLU 106 106 27799 1 . LEU 107 107 27799 1 . GLY 108 108 27799 1 . ILE 109 109 27799 1 . ARG 110 110 27799 1 . HIS 111 111 27799 1 . VAL 112 112 27799 1 . LEU 113 113 27799 1 . LEU 114 114 27799 1 . THR 115 115 27799 1 . ILE 116 116 27799 1 . LYS 117 117 27799 1 . MET 118 118 27799 1 . LEU 119 119 27799 1 . LEU 120 120 27799 1 . ILE 121 121 27799 1 . HIS 122 122 27799 1 . PRO 123 123 27799 1 . ASN 124 124 27799 1 . PRO 125 125 27799 1 . GLU 126 126 27799 1 . SER 127 127 27799 1 . ALA 128 128 27799 1 . LEU 129 129 27799 1 . ASN 130 130 27799 1 . GLU 131 131 27799 1 . GLU 132 132 27799 1 . ALA 133 133 27799 1 . GLY 134 134 27799 1 . ARG 135 135 27799 1 . LEU 136 136 27799 1 . LEU 137 137 27799 1 . LEU 138 138 27799 1 . GLU 139 139 27799 1 . ASN 140 140 27799 1 . TYR 141 141 27799 1 . GLU 142 142 27799 1 . GLU 143 143 27799 1 . TYR 144 144 27799 1 . ALA 145 145 27799 1 . ALA 146 146 27799 1 . ARG 147 147 27799 1 . ALA 148 148 27799 1 . ARG 149 149 27799 1 . LEU 150 150 27799 1 . LEU 151 151 27799 1 . THR 152 152 27799 1 . GLU 153 153 27799 1 . ILE 154 154 27799 1 . HIS 155 155 27799 1 . GLY 156 156 27799 1 stop_ save_ save_Ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode Ubiquitin _Entity.Entry_ID 27799 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ubiquitin _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Molecular entity consists of UBE2S (residues 1-156) and ubiquitin (residues 1-76, numbering here:201-276), linked by an disulfide bond. ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; UBE2S: C95S, K100C, C118M Ubiquitin: G76C ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin-conjugating enzyme' 27799 2 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 1 201 MET . 27799 2 2 202 GLN . 27799 2 3 203 ILE . 27799 2 4 204 PHE . 27799 2 5 205 VAL . 27799 2 6 206 LYS . 27799 2 7 207 THR . 27799 2 8 208 LEU . 27799 2 9 209 THR . 27799 2 10 210 GLY . 27799 2 11 211 LYS . 27799 2 12 212 THR . 27799 2 13 213 ILE . 27799 2 14 214 THR . 27799 2 15 215 LEU . 27799 2 16 216 GLU . 27799 2 17 217 VAL . 27799 2 18 218 GLU . 27799 2 19 219 PRO . 27799 2 20 220 SER . 27799 2 21 221 ASP . 27799 2 22 222 THR . 27799 2 23 223 ILE . 27799 2 24 224 GLU . 27799 2 25 225 ASN . 27799 2 26 226 VAL . 27799 2 27 227 LYS . 27799 2 28 228 ALA . 27799 2 29 229 LYS . 27799 2 30 230 ILE . 27799 2 31 231 GLN . 27799 2 32 232 ASP . 27799 2 33 233 LYS . 27799 2 34 234 GLU . 27799 2 35 235 GLY . 27799 2 36 236 ILE . 27799 2 37 237 PRO . 27799 2 38 238 PRO . 27799 2 39 239 ASP . 27799 2 40 240 GLN . 27799 2 41 241 GLN . 27799 2 42 242 ARG . 27799 2 43 243 LEU . 27799 2 44 244 ILE . 27799 2 45 245 PHE . 27799 2 46 246 ALA . 27799 2 47 247 GLY . 27799 2 48 248 LYS . 27799 2 49 249 GLN . 27799 2 50 250 LEU . 27799 2 51 251 GLU . 27799 2 52 252 ASP . 27799 2 53 253 GLY . 27799 2 54 254 ARG . 27799 2 55 255 THR . 27799 2 56 256 LEU . 27799 2 57 257 SER . 27799 2 58 258 ASP . 27799 2 59 259 TYR . 27799 2 60 260 ASN . 27799 2 61 261 ILE . 27799 2 62 262 GLN . 27799 2 63 263 LYS . 27799 2 64 264 GLU . 27799 2 65 265 SER . 27799 2 66 266 THR . 27799 2 67 267 LEU . 27799 2 68 268 HIS . 27799 2 69 269 LEU . 27799 2 70 270 VAL . 27799 2 71 271 LEU . 27799 2 72 272 ARG . 27799 2 73 273 LEU . 27799 2 74 274 ARG . 27799 2 75 275 GLY . 27799 2 76 276 CYS . 27799 2 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 27799 2 . GLN 2 2 27799 2 . ILE 3 3 27799 2 . PHE 4 4 27799 2 . VAL 5 5 27799 2 . LYS 6 6 27799 2 . THR 7 7 27799 2 . LEU 8 8 27799 2 . THR 9 9 27799 2 . GLY 10 10 27799 2 . LYS 11 11 27799 2 . THR 12 12 27799 2 . ILE 13 13 27799 2 . THR 14 14 27799 2 . LEU 15 15 27799 2 . GLU 16 16 27799 2 . VAL 17 17 27799 2 . GLU 18 18 27799 2 . PRO 19 19 27799 2 . SER 20 20 27799 2 . ASP 21 21 27799 2 . THR 22 22 27799 2 . ILE 23 23 27799 2 . GLU 24 24 27799 2 . ASN 25 25 27799 2 . VAL 26 26 27799 2 . LYS 27 27 27799 2 . ALA 28 28 27799 2 . LYS 29 29 27799 2 . ILE 30 30 27799 2 . GLN 31 31 27799 2 . ASP 32 32 27799 2 . LYS 33 33 27799 2 . GLU 34 34 27799 2 . GLY 35 35 27799 2 . ILE 36 36 27799 2 . PRO 37 37 27799 2 . PRO 38 38 27799 2 . ASP 39 39 27799 2 . GLN 40 40 27799 2 . GLN 41 41 27799 2 . ARG 42 42 27799 2 . LEU 43 43 27799 2 . ILE 44 44 27799 2 . PHE 45 45 27799 2 . ALA 46 46 27799 2 . GLY 47 47 27799 2 . LYS 48 48 27799 2 . GLN 49 49 27799 2 . LEU 50 50 27799 2 . GLU 51 51 27799 2 . ASP 52 52 27799 2 . GLY 53 53 27799 2 . ARG 54 54 27799 2 . THR 55 55 27799 2 . LEU 56 56 27799 2 . SER 57 57 27799 2 . ASP 58 58 27799 2 . TYR 59 59 27799 2 . ASN 60 60 27799 2 . ILE 61 61 27799 2 . GLN 62 62 27799 2 . LYS 63 63 27799 2 . GLU 64 64 27799 2 . SER 65 65 27799 2 . THR 66 66 27799 2 . LEU 67 67 27799 2 . HIS 68 68 27799 2 . LEU 69 69 27799 2 . VAL 70 70 27799 2 . LEU 71 71 27799 2 . ARG 72 72 27799 2 . LEU 73 73 27799 2 . ARG 74 74 27799 2 . GLY 75 75 27799 2 . CYS 76 76 27799 2 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 27799 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UBE2S . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27799 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 27799 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UBE2S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'modified pSKB2 vector' . . 'For plasmid details, see Wickliffe et al., Cell 2011' 27799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27799 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UBE2S '[U-100% 13C; U-100% 15N]' . . 1 $UBE2S . . 0.46 . . mM . . . . 27799 1 2 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 0.46 . . mM . . . . 27799 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27799 1 4 'sodium phosphate' 'natural abundance' . . . . . . 75 . . mM . . . . 27799 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27799 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27799 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 75 . mM 27799 1 pH 7.2 . pH 27799 1 pressure 1 . atm 27799 1 temperature 298 . K 27799 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27799 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27799 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27799 1 'peak picking' . 27799 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27799 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27799 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'equipped with CryoProbe' . . 27799 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 27799 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27799 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27799 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27799 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27799 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.251449530 . . . . . 27799 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.00000000 . . . . . 27799 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 27799 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27799 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27799 1 2 '3D HNCA' . . . 27799 1 3 '3D HN(CO)CA' . . . 27799 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 ASN CA C 13 53.72 0.20 . 1 . . . . . 4 ASN CA . 27799 1 2 . 1 . 1 5 5 VAL H H 1 8.05 0.03 . 1 . . . . . 5 VAL H . 27799 1 3 . 1 . 1 5 5 VAL CA C 13 62.92 0.20 . 1 . . . . . 5 VAL CA . 27799 1 4 . 1 . 1 5 5 VAL N N 15 119.58 0.20 . 1 . . . . . 5 VAL N . 27799 1 5 . 1 . 1 6 6 GLU H H 1 8.34 0.03 . 1 . . . . . 6 GLU H . 27799 1 6 . 1 . 1 6 6 GLU CA C 13 56.62 0.20 . 1 . . . . . 6 GLU CA . 27799 1 7 . 1 . 1 6 6 GLU N N 15 122.72 0.20 . 1 . . . . . 6 GLU N . 27799 1 8 . 1 . 1 8 8 LEU H H 1 8.16 0.03 . 1 . . . . . 8 LEU H . 27799 1 9 . 1 . 1 8 8 LEU CA C 13 52.98 0.20 . 1 . . . . . 8 LEU CA . 27799 1 10 . 1 . 1 8 8 LEU N N 15 122.03 0.20 . 1 . . . . . 8 LEU N . 27799 1 11 . 1 . 1 12 12 ILE H H 1 7.06 0.03 . 1 . . . . . 12 ILE H . 27799 1 12 . 1 . 1 12 12 ILE CA C 13 61.61 0.20 . 1 . . . . . 12 ILE CA . 27799 1 13 . 1 . 1 12 12 ILE N N 15 122.24 0.20 . 1 . . . . . 12 ILE N . 27799 1 14 . 1 . 1 13 13 ILE H H 1 7.76 0.03 . 1 . . . . . 13 ILE H . 27799 1 15 . 1 . 1 13 13 ILE CA C 13 64.80 0.20 . 1 . . . . . 13 ILE CA . 27799 1 16 . 1 . 1 13 13 ILE N N 15 121.54 0.20 . 1 . . . . . 13 ILE N . 27799 1 17 . 1 . 1 14 14 ARG H H 1 7.77 0.03 . 1 . . . . . 14 ARG H . 27799 1 18 . 1 . 1 14 14 ARG CA C 13 59.64 0.20 . 1 . . . . . 14 ARG CA . 27799 1 19 . 1 . 1 14 14 ARG N N 15 116.87 0.20 . 1 . . . . . 14 ARG N . 27799 1 20 . 1 . 1 15 15 LEU H H 1 7.41 0.03 . 1 . . . . . 15 LEU H . 27799 1 21 . 1 . 1 15 15 LEU CA C 13 58.31 0.20 . 1 . . . . . 15 LEU CA . 27799 1 22 . 1 . 1 15 15 LEU N N 15 120.57 0.20 . 1 . . . . . 15 LEU N . 27799 1 23 . 1 . 1 17 17 TYR H H 1 8.87 0.03 . 1 . . . . . 17 TYR H . 27799 1 24 . 1 . 1 17 17 TYR CA C 13 62.00 0.20 . 1 . . . . . 17 TYR CA . 27799 1 25 . 1 . 1 17 17 TYR N N 15 119.69 0.20 . 1 . . . . . 17 TYR N . 27799 1 26 . 1 . 1 20 20 VAL H H 1 9.15 0.03 . 1 . . . . . 20 VAL H . 27799 1 27 . 1 . 1 20 20 VAL CA C 13 67.49 0.20 . 1 . . . . . 20 VAL CA . 27799 1 28 . 1 . 1 20 20 VAL N N 15 118.98 0.20 . 1 . . . . . 20 VAL N . 27799 1 29 . 1 . 1 21 21 THR H H 1 8.23 0.03 . 1 . . . . . 21 THR H . 27799 1 30 . 1 . 1 21 21 THR CA C 13 66.89 0.20 . 1 . . . . . 21 THR CA . 27799 1 31 . 1 . 1 21 21 THR N N 15 116.11 0.20 . 1 . . . . . 21 THR N . 27799 1 32 . 1 . 1 22 22 THR H H 1 7.76 0.03 . 1 . . . . . 22 THR H . 27799 1 33 . 1 . 1 22 22 THR CA C 13 66.19 0.20 . 1 . . . . . 22 THR CA . 27799 1 34 . 1 . 1 22 22 THR N N 15 117.39 0.20 . 1 . . . . . 22 THR N . 27799 1 35 . 1 . 1 23 23 LEU H H 1 8.05 0.03 . 1 . . . . . 23 LEU H . 27799 1 36 . 1 . 1 23 23 LEU CA C 13 57.45 0.20 . 1 . . . . . 23 LEU CA . 27799 1 37 . 1 . 1 23 23 LEU N N 15 122.75 0.20 . 1 . . . . . 23 LEU N . 27799 1 38 . 1 . 1 24 24 THR H H 1 7.93 0.03 . 1 . . . . . 24 THR H . 27799 1 39 . 1 . 1 24 24 THR CA C 13 65.06 0.20 . 1 . . . . . 24 THR CA . 27799 1 40 . 1 . 1 24 24 THR N N 15 110.61 0.20 . 1 . . . . . 24 THR N . 27799 1 41 . 1 . 1 25 25 ALA H H 1 7.33 0.03 . 1 . . . . . 25 ALA H . 27799 1 42 . 1 . 1 25 25 ALA CA C 13 53.84 0.20 . 1 . . . . . 25 ALA CA . 27799 1 43 . 1 . 1 25 25 ALA N N 15 122.83 0.20 . 1 . . . . . 25 ALA N . 27799 1 44 . 1 . 1 26 26 ASP H H 1 7.75 0.03 . 1 . . . . . 26 ASP H . 27799 1 45 . 1 . 1 26 26 ASP CA C 13 51.78 0.20 . 1 . . . . . 26 ASP CA . 27799 1 46 . 1 . 1 26 26 ASP N N 15 115.66 0.20 . 1 . . . . . 26 ASP N . 27799 1 47 . 1 . 1 28 28 PRO CA C 13 61.68 0.20 . 1 . . . . . 28 PRO CA . 27799 1 48 . 1 . 1 29 29 ASP H H 1 8.28 0.03 . 1 . . . . . 29 ASP H . 27799 1 49 . 1 . 1 29 29 ASP CA C 13 56.30 0.20 . 1 . . . . . 29 ASP CA . 27799 1 50 . 1 . 1 29 29 ASP N N 15 120.21 0.20 . 1 . . . . . 29 ASP N . 27799 1 51 . 1 . 1 31 31 ILE CA C 13 59.88 0.20 . 1 . . . . . 31 ILE CA . 27799 1 52 . 1 . 1 32 32 LYS H H 1 8.48 0.03 . 1 . . . . . 32 LYS H . 27799 1 53 . 1 . 1 32 32 LYS CA C 13 54.70 0.20 . 1 . . . . . 32 LYS CA . 27799 1 54 . 1 . 1 32 32 LYS N N 15 125.24 0.20 . 1 . . . . . 32 LYS N . 27799 1 55 . 1 . 1 33 33 VAL CA C 13 60.53 0.20 . 1 . . . . . 33 VAL CA . 27799 1 56 . 1 . 1 34 34 PHE H H 1 8.73 0.03 . 1 . . . . . 34 PHE H . 27799 1 57 . 1 . 1 34 34 PHE CA C 13 54.91 0.20 . 1 . . . . . 34 PHE CA . 27799 1 58 . 1 . 1 34 34 PHE N N 15 123.21 0.20 . 1 . . . . . 34 PHE N . 27799 1 59 . 1 . 1 35 35 PRO CA C 13 62.81 0.20 . 1 . . . . . 35 PRO CA . 27799 1 60 . 1 . 1 36 36 ASN H H 1 8.87 0.03 . 1 . . . . . 36 ASN H . 27799 1 61 . 1 . 1 36 36 ASN CA C 13 52.30 0.20 . 1 . . . . . 36 ASN CA . 27799 1 62 . 1 . 1 36 36 ASN N N 15 121.68 0.20 . 1 . . . . . 36 ASN N . 27799 1 63 . 1 . 1 37 37 GLU H H 1 9.02 0.03 . 1 . . . . . 37 GLU H . 27799 1 64 . 1 . 1 37 37 GLU CA C 13 58.91 0.20 . 1 . . . . . 37 GLU CA . 27799 1 65 . 1 . 1 37 37 GLU N N 15 124.03 0.20 . 1 . . . . . 37 GLU N . 27799 1 66 . 1 . 1 38 38 GLU H H 1 8.16 0.03 . 1 . . . . . 38 GLU H . 27799 1 67 . 1 . 1 38 38 GLU CA C 13 57.13 0.20 . 1 . . . . . 38 GLU CA . 27799 1 68 . 1 . 1 38 38 GLU N N 15 116.22 0.20 . 1 . . . . . 38 GLU N . 27799 1 69 . 1 . 1 39 39 ASP H H 1 7.54 0.03 . 1 . . . . . 39 ASP H . 27799 1 70 . 1 . 1 39 39 ASP CA C 13 53.77 0.20 . 1 . . . . . 39 ASP CA . 27799 1 71 . 1 . 1 39 39 ASP N N 15 117.54 0.20 . 1 . . . . . 39 ASP N . 27799 1 72 . 1 . 1 40 40 LEU H H 1 8.63 0.03 . 1 . . . . . 40 LEU H . 27799 1 73 . 1 . 1 40 40 LEU CA C 13 56.31 0.20 . 1 . . . . . 40 LEU CA . 27799 1 74 . 1 . 1 40 40 LEU N N 15 125.85 0.20 . 1 . . . . . 40 LEU N . 27799 1 75 . 1 . 1 41 41 THR H H 1 7.97 0.03 . 1 . . . . . 41 THR H . 27799 1 76 . 1 . 1 41 41 THR CA C 13 62.65 0.20 . 1 . . . . . 41 THR CA . 27799 1 77 . 1 . 1 41 41 THR N N 15 103.33 0.20 . 1 . . . . . 41 THR N . 27799 1 78 . 1 . 1 42 42 ASP H H 1 7.24 0.03 . 1 . . . . . 42 ASP H . 27799 1 79 . 1 . 1 42 42 ASP CA C 13 52.71 0.20 . 1 . . . . . 42 ASP CA . 27799 1 80 . 1 . 1 42 42 ASP N N 15 122.37 0.20 . 1 . . . . . 42 ASP N . 27799 1 81 . 1 . 1 43 43 LEU H H 1 8.61 0.03 . 1 . . . . . 43 LEU H . 27799 1 82 . 1 . 1 43 43 LEU CA C 13 53.93 0.20 . 1 . . . . . 43 LEU CA . 27799 1 83 . 1 . 1 43 43 LEU N N 15 124.81 0.20 . 1 . . . . . 43 LEU N . 27799 1 84 . 1 . 1 44 44 GLN CA C 13 55.30 0.20 . 1 . . . . . 44 GLN CA . 27799 1 85 . 1 . 1 45 45 VAL H H 1 8.73 0.03 . 1 . . . . . 45 VAL H . 27799 1 86 . 1 . 1 45 45 VAL CA C 13 59.62 0.20 . 1 . . . . . 45 VAL CA . 27799 1 87 . 1 . 1 45 45 VAL N N 15 121.59 0.20 . 1 . . . . . 45 VAL N . 27799 1 88 . 1 . 1 46 46 THR H H 1 9.38 0.03 . 1 . . . . . 46 THR H . 27799 1 89 . 1 . 1 46 46 THR CA C 13 60.44 0.20 . 1 . . . . . 46 THR CA . 27799 1 90 . 1 . 1 46 46 THR N N 15 117.10 0.20 . 1 . . . . . 46 THR N . 27799 1 91 . 1 . 1 47 47 ILE H H 1 9.18 0.03 . 1 . . . . . 47 ILE H . 27799 1 92 . 1 . 1 47 47 ILE CA C 13 59.67 0.20 . 1 . . . . . 47 ILE CA . 27799 1 93 . 1 . 1 47 47 ILE N N 15 122.24 0.20 . 1 . . . . . 47 ILE N . 27799 1 94 . 1 . 1 48 48 GLU H H 1 8.80 0.03 . 1 . . . . . 48 GLU H . 27799 1 95 . 1 . 1 48 48 GLU N N 15 127.89 0.20 . 1 . . . . . 48 GLU N . 27799 1 96 . 1 . 1 49 49 GLY H H 1 9.54 0.03 . 1 . . . . . 49 GLY H . 27799 1 97 . 1 . 1 49 49 GLY CA C 13 44.24 0.20 . 1 . . . . . 49 GLY CA . 27799 1 98 . 1 . 1 49 49 GLY N N 15 112.69 0.20 . 1 . . . . . 49 GLY N . 27799 1 99 . 1 . 1 51 51 GLU H H 1 9.05 0.03 . 1 . . . . . 51 GLU H . 27799 1 100 . 1 . 1 51 51 GLU CA C 13 57.93 0.20 . 1 . . . . . 51 GLU CA . 27799 1 101 . 1 . 1 51 51 GLU N N 15 124.85 0.20 . 1 . . . . . 51 GLU N . 27799 1 102 . 1 . 1 52 52 GLY CA C 13 45.87 0.20 . 1 . . . . . 52 GLY CA . 27799 1 103 . 1 . 1 53 53 THR H H 1 7.58 0.03 . 1 . . . . . 53 THR H . 27799 1 104 . 1 . 1 53 53 THR CA C 13 59.54 0.20 . 1 . . . . . 53 THR CA . 27799 1 105 . 1 . 1 53 53 THR N N 15 108.46 0.20 . 1 . . . . . 53 THR N . 27799 1 106 . 1 . 1 54 54 PRO CA C 13 63.75 0.20 . 1 . . . . . 54 PRO CA . 27799 1 107 . 1 . 1 55 55 TYR H H 1 6.93 0.03 . 1 . . . . . 55 TYR H . 27799 1 108 . 1 . 1 55 55 TYR CA C 13 55.96 0.20 . 1 . . . . . 55 TYR CA . 27799 1 109 . 1 . 1 55 55 TYR N N 15 114.02 0.20 . 1 . . . . . 55 TYR N . 27799 1 110 . 1 . 1 56 56 ALA H H 1 7.28 0.03 . 1 . . . . . 56 ALA H . 27799 1 111 . 1 . 1 56 56 ALA CA C 13 53.74 0.20 . 1 . . . . . 56 ALA CA . 27799 1 112 . 1 . 1 56 56 ALA N N 15 123.23 0.20 . 1 . . . . . 56 ALA N . 27799 1 113 . 1 . 1 57 57 GLY H H 1 8.72 0.03 . 1 . . . . . 57 GLY H . 27799 1 114 . 1 . 1 57 57 GLY CA C 13 45.30 0.20 . 1 . . . . . 57 GLY CA . 27799 1 115 . 1 . 1 57 57 GLY N N 15 111.84 0.20 . 1 . . . . . 57 GLY N . 27799 1 116 . 1 . 1 58 58 GLY H H 1 8.28 0.03 . 1 . . . . . 58 GLY H . 27799 1 117 . 1 . 1 58 58 GLY CA C 13 44.56 0.20 . 1 . . . . . 58 GLY CA . 27799 1 118 . 1 . 1 58 58 GLY N N 15 107.16 0.20 . 1 . . . . . 58 GLY N . 27799 1 119 . 1 . 1 59 59 LEU H H 1 9.28 0.03 . 1 . . . . . 59 LEU H . 27799 1 120 . 1 . 1 59 59 LEU CA C 13 54.03 0.20 . 1 . . . . . 59 LEU CA . 27799 1 121 . 1 . 1 59 59 LEU N N 15 126.87 0.20 . 1 . . . . . 59 LEU N . 27799 1 122 . 1 . 1 60 60 PHE H H 1 8.81 0.03 . 1 . . . . . 60 PHE H . 27799 1 123 . 1 . 1 60 60 PHE CA C 13 57.35 0.20 . 1 . . . . . 60 PHE CA . 27799 1 124 . 1 . 1 60 60 PHE N N 15 123.68 0.20 . 1 . . . . . 60 PHE N . 27799 1 125 . 1 . 1 61 61 ARG H H 1 9.37 0.03 . 1 . . . . . 61 ARG H . 27799 1 126 . 1 . 1 61 61 ARG CA C 13 55.38 0.20 . 1 . . . . . 61 ARG CA . 27799 1 127 . 1 . 1 61 61 ARG N N 15 123.72 0.20 . 1 . . . . . 61 ARG N . 27799 1 128 . 1 . 1 62 62 MET H H 1 9.48 0.03 . 1 . . . . . 62 MET H . 27799 1 129 . 1 . 1 62 62 MET CA C 13 54.40 0.20 . 1 . . . . . 62 MET CA . 27799 1 130 . 1 . 1 62 62 MET N N 15 124.14 0.20 . 1 . . . . . 62 MET N . 27799 1 131 . 1 . 1 63 63 LYS H H 1 9.02 0.03 . 1 . . . . . 63 LYS H . 27799 1 132 . 1 . 1 63 63 LYS CA C 13 54.40 0.20 . 1 . . . . . 63 LYS CA . 27799 1 133 . 1 . 1 63 63 LYS N N 15 120.66 0.20 . 1 . . . . . 63 LYS N . 27799 1 134 . 1 . 1 64 64 LEU H H 1 8.95 0.03 . 1 . . . . . 64 LEU H . 27799 1 135 . 1 . 1 64 64 LEU CA C 13 52.31 0.20 . 1 . . . . . 64 LEU CA . 27799 1 136 . 1 . 1 64 64 LEU N N 15 124.07 0.20 . 1 . . . . . 64 LEU N . 27799 1 137 . 1 . 1 65 65 LEU H H 1 9.01 0.03 . 1 . . . . . 65 LEU H . 27799 1 138 . 1 . 1 65 65 LEU CA C 13 53.00 0.20 . 1 . . . . . 65 LEU CA . 27799 1 139 . 1 . 1 65 65 LEU N N 15 123.57 0.20 . 1 . . . . . 65 LEU N . 27799 1 140 . 1 . 1 66 66 LEU H H 1 8.97 0.03 . 1 . . . . . 66 LEU H . 27799 1 141 . 1 . 1 66 66 LEU CA C 13 55.25 0.20 . 1 . . . . . 66 LEU CA . 27799 1 142 . 1 . 1 66 66 LEU N N 15 126.39 0.20 . 1 . . . . . 66 LEU N . 27799 1 143 . 1 . 1 67 67 GLY H H 1 8.04 0.03 . 1 . . . . . 67 GLY H . 27799 1 144 . 1 . 1 67 67 GLY CA C 13 44.39 0.20 . 1 . . . . . 67 GLY CA . 27799 1 145 . 1 . 1 67 67 GLY N N 15 108.18 0.20 . 1 . . . . . 67 GLY N . 27799 1 146 . 1 . 1 68 68 LYS H H 1 8.37 0.03 . 1 . . . . . 68 LYS H . 27799 1 147 . 1 . 1 68 68 LYS CA C 13 58.13 0.20 . 1 . . . . . 68 LYS CA . 27799 1 148 . 1 . 1 68 68 LYS N N 15 116.97 0.20 . 1 . . . . . 68 LYS N . 27799 1 149 . 1 . 1 69 69 ASP H H 1 8.47 0.03 . 1 . . . . . 69 ASP H . 27799 1 150 . 1 . 1 69 69 ASP CA C 13 52.93 0.20 . 1 . . . . . 69 ASP CA . 27799 1 151 . 1 . 1 69 69 ASP N N 15 116.18 0.20 . 1 . . . . . 69 ASP N . 27799 1 152 . 1 . 1 70 70 PHE H H 1 7.68 0.03 . 1 . . . . . 70 PHE H . 27799 1 153 . 1 . 1 70 70 PHE CA C 13 56.90 0.20 . 1 . . . . . 70 PHE CA . 27799 1 154 . 1 . 1 70 70 PHE N N 15 124.93 0.20 . 1 . . . . . 70 PHE N . 27799 1 155 . 1 . 1 72 72 ALA H H 1 8.60 0.03 . 1 . . . . . 72 ALA H . 27799 1 156 . 1 . 1 72 72 ALA CA C 13 55.50 0.20 . 1 . . . . . 72 ALA CA . 27799 1 157 . 1 . 1 72 72 ALA N N 15 128.24 0.20 . 1 . . . . . 72 ALA N . 27799 1 158 . 1 . 1 73 73 SER H H 1 7.62 0.03 . 1 . . . . . 73 SER H . 27799 1 159 . 1 . 1 73 73 SER CA C 13 55.05 0.20 . 1 . . . . . 73 SER CA . 27799 1 160 . 1 . 1 73 73 SER N N 15 111.40 0.20 . 1 . . . . . 73 SER N . 27799 1 161 . 1 . 1 77 77 GLY CA C 13 44.40 0.20 . 1 . . . . . 77 GLY CA . 27799 1 162 . 1 . 1 78 78 TYR H H 1 8.60 0.03 . 1 . . . . . 78 TYR H . 27799 1 163 . 1 . 1 78 78 TYR CA C 13 56.20 0.20 . 1 . . . . . 78 TYR CA . 27799 1 164 . 1 . 1 78 78 TYR N N 15 118.44 0.20 . 1 . . . . . 78 TYR N . 27799 1 165 . 1 . 1 79 79 PHE H H 1 10.02 0.03 . 1 . . . . . 79 PHE H . 27799 1 166 . 1 . 1 79 79 PHE CA C 13 60.60 0.20 . 1 . . . . . 79 PHE CA . 27799 1 167 . 1 . 1 79 79 PHE N N 15 122.84 0.20 . 1 . . . . . 79 PHE N . 27799 1 168 . 1 . 1 80 80 LEU CA C 13 55.40 0.20 . 1 . . . . . 80 LEU CA . 27799 1 169 . 1 . 1 81 81 THR H H 1 7.47 0.03 . 1 . . . . . 81 THR H . 27799 1 170 . 1 . 1 81 81 THR CA C 13 63.11 0.20 . 1 . . . . . 81 THR CA . 27799 1 171 . 1 . 1 81 81 THR N N 15 118.42 0.20 . 1 . . . . . 81 THR N . 27799 1 172 . 1 . 1 82 82 LYS H H 1 8.48 0.03 . 1 . . . . . 82 LYS H . 27799 1 173 . 1 . 1 82 82 LYS CA C 13 57.44 0.20 . 1 . . . . . 82 LYS CA . 27799 1 174 . 1 . 1 82 82 LYS N N 15 127.69 0.20 . 1 . . . . . 82 LYS N . 27799 1 175 . 1 . 1 83 83 ILE H H 1 8.16 0.03 . 1 . . . . . 83 ILE H . 27799 1 176 . 1 . 1 83 83 ILE CA C 13 60.07 0.20 . 1 . . . . . 83 ILE CA . 27799 1 177 . 1 . 1 83 83 ILE N N 15 120.86 0.20 . 1 . . . . . 83 ILE N . 27799 1 178 . 1 . 1 84 84 PHE H H 1 8.41 0.03 . 1 . . . . . 84 PHE H . 27799 1 179 . 1 . 1 84 84 PHE CA C 13 56.65 0.20 . 1 . . . . . 84 PHE CA . 27799 1 180 . 1 . 1 84 84 PHE N N 15 127.98 0.20 . 1 . . . . . 84 PHE N . 27799 1 181 . 1 . 1 85 85 HIS H H 1 9.49 0.03 . 1 . . . . . 85 HIS H . 27799 1 182 . 1 . 1 85 85 HIS CA C 13 55.39 0.20 . 1 . . . . . 85 HIS CA . 27799 1 183 . 1 . 1 85 85 HIS N N 15 129.90 0.20 . 1 . . . . . 85 HIS N . 27799 1 184 . 1 . 1 87 87 ASN CA C 13 54.33 0.20 . 1 . . . . . 87 ASN CA . 27799 1 185 . 1 . 1 88 88 VAL H H 1 7.39 0.03 . 1 . . . . . 88 VAL H . 27799 1 186 . 1 . 1 88 88 VAL CA C 13 60.81 0.20 . 1 . . . . . 88 VAL CA . 27799 1 187 . 1 . 1 88 88 VAL N N 15 118.56 0.20 . 1 . . . . . 88 VAL N . 27799 1 188 . 1 . 1 89 89 GLY H H 1 9.44 0.03 . 1 . . . . . 89 GLY H . 27799 1 189 . 1 . 1 89 89 GLY CA C 13 44.65 0.20 . 1 . . . . . 89 GLY CA . 27799 1 190 . 1 . 1 89 89 GLY N N 15 113.08 0.20 . 1 . . . . . 89 GLY N . 27799 1 191 . 1 . 1 91 91 ASN H H 1 8.70 0.03 . 1 . . . . . 91 ASN H . 27799 1 192 . 1 . 1 91 91 ASN CA C 13 52.41 0.20 . 1 . . . . . 91 ASN CA . 27799 1 193 . 1 . 1 91 91 ASN N N 15 115.01 0.20 . 1 . . . . . 91 ASN N . 27799 1 194 . 1 . 1 92 92 GLY H H 1 8.17 0.03 . 1 . . . . . 92 GLY H . 27799 1 195 . 1 . 1 92 92 GLY CA C 13 45.54 0.20 . 1 . . . . . 92 GLY CA . 27799 1 196 . 1 . 1 92 92 GLY N N 15 107.39 0.20 . 1 . . . . . 92 GLY N . 27799 1 197 . 1 . 1 93 93 GLU H H 1 8.80 0.03 . 1 . . . . . 93 GLU H . 27799 1 198 . 1 . 1 93 93 GLU CA C 13 57.50 0.20 . 1 . . . . . 93 GLU CA . 27799 1 199 . 1 . 1 93 93 GLU N N 15 123.08 0.20 . 1 . . . . . 93 GLU N . 27799 1 200 . 1 . 1 110 110 ARG H H 1 9.52 0.03 . 1 . . . . . 110 ARG H . 27799 1 201 . 1 . 1 110 110 ARG CA C 13 61.10 0.20 . 1 . . . . . 110 ARG CA . 27799 1 202 . 1 . 1 110 110 ARG N N 15 121.59 0.20 . 1 . . . . . 110 ARG N . 27799 1 203 . 1 . 1 116 116 ILE CA C 13 65.80 0.20 . 1 . . . . . 116 ILE CA . 27799 1 204 . 1 . 1 117 117 LYS H H 1 7.89 0.03 . 1 . . . . . 117 LYS H . 27799 1 205 . 1 . 1 117 117 LYS CA C 13 61.05 0.20 . 1 . . . . . 117 LYS CA . 27799 1 206 . 1 . 1 117 117 LYS N N 15 119.37 0.20 . 1 . . . . . 117 LYS N . 27799 1 207 . 1 . 1 120 120 LEU H H 1 7.63 0.03 . 1 . . . . . 120 LEU H . 27799 1 208 . 1 . 1 120 120 LEU CA C 13 58.42 0.20 . 1 . . . . . 120 LEU CA . 27799 1 209 . 1 . 1 120 120 LEU N N 15 118.40 0.20 . 1 . . . . . 120 LEU N . 27799 1 210 . 1 . 1 121 121 ILE H H 1 7.04 0.03 . 1 . . . . . 121 ILE H . 27799 1 211 . 1 . 1 121 121 ILE CA C 13 63.57 0.20 . 1 . . . . . 121 ILE CA . 27799 1 212 . 1 . 1 121 121 ILE N N 15 116.94 0.20 . 1 . . . . . 121 ILE N . 27799 1 213 . 1 . 1 123 123 PRO CA C 13 62.64 0.20 . 1 . . . . . 123 PRO CA . 27799 1 214 . 1 . 1 124 124 ASN H H 1 9.00 0.03 . 1 . . . . . 124 ASN H . 27799 1 215 . 1 . 1 124 124 ASN CA C 13 49.90 0.20 . 1 . . . . . 124 ASN CA . 27799 1 216 . 1 . 1 124 124 ASN N N 15 118.85 0.20 . 1 . . . . . 124 ASN N . 27799 1 217 . 1 . 1 127 127 SER CA C 13 56.30 0.20 . 1 . . . . . 127 SER CA . 27799 1 218 . 1 . 1 128 128 ALA H H 1 7.64 0.03 . 1 . . . . . 128 ALA H . 27799 1 219 . 1 . 1 128 128 ALA CA C 13 52.82 0.20 . 1 . . . . . 128 ALA CA . 27799 1 220 . 1 . 1 128 128 ALA N N 15 123.99 0.20 . 1 . . . . . 128 ALA N . 27799 1 221 . 1 . 1 129 129 LEU H H 1 8.00 0.03 . 1 . . . . . 129 LEU H . 27799 1 222 . 1 . 1 129 129 LEU CA C 13 55.70 0.20 . 1 . . . . . 129 LEU CA . 27799 1 223 . 1 . 1 129 129 LEU N N 15 122.19 0.20 . 1 . . . . . 129 LEU N . 27799 1 224 . 1 . 1 130 130 ASN CA C 13 51.58 0.20 . 1 . . . . . 130 ASN CA . 27799 1 225 . 1 . 1 131 131 GLU H H 1 8.84 0.03 . 1 . . . . . 131 GLU H . 27799 1 226 . 1 . 1 131 131 GLU CA C 13 59.60 0.20 . 1 . . . . . 131 GLU CA . 27799 1 227 . 1 . 1 131 131 GLU N N 15 124.19 0.20 . 1 . . . . . 131 GLU N . 27799 1 228 . 1 . 1 132 132 GLU H H 1 8.32 0.03 . 1 . . . . . 132 GLU H . 27799 1 229 . 1 . 1 132 132 GLU CA C 13 59.39 0.20 . 1 . . . . . 132 GLU CA . 27799 1 230 . 1 . 1 132 132 GLU N N 15 121.03 0.20 . 1 . . . . . 132 GLU N . 27799 1 231 . 1 . 1 133 133 ALA H H 1 7.20 0.03 . 1 . . . . . 133 ALA H . 27799 1 232 . 1 . 1 133 133 ALA CA C 13 54.88 0.20 . 1 . . . . . 133 ALA CA . 27799 1 233 . 1 . 1 133 133 ALA N N 15 119.12 0.20 . 1 . . . . . 133 ALA N . 27799 1 234 . 1 . 1 134 134 GLY H H 1 8.21 0.03 . 1 . . . . . 134 GLY H . 27799 1 235 . 1 . 1 134 134 GLY CA C 13 47.50 0.20 . 1 . . . . . 134 GLY CA . 27799 1 236 . 1 . 1 134 134 GLY N N 15 102.88 0.20 . 1 . . . . . 134 GLY N . 27799 1 237 . 1 . 1 137 137 LEU H H 1 7.82 0.03 . 1 . . . . . 137 LEU H . 27799 1 238 . 1 . 1 137 137 LEU CA C 13 59.06 0.20 . 1 . . . . . 137 LEU CA . 27799 1 239 . 1 . 1 137 137 LEU N N 15 118.25 0.20 . 1 . . . . . 137 LEU N . 27799 1 240 . 1 . 1 138 138 LEU H H 1 6.85 0.03 . 1 . . . . . 138 LEU H . 27799 1 241 . 1 . 1 138 138 LEU CA C 13 56.54 0.20 . 1 . . . . . 138 LEU CA . 27799 1 242 . 1 . 1 138 138 LEU N N 15 113.03 0.20 . 1 . . . . . 138 LEU N . 27799 1 243 . 1 . 1 139 139 GLU H H 1 8.50 0.03 . 1 . . . . . 139 GLU H . 27799 1 244 . 1 . 1 139 139 GLU CA C 13 58.07 0.20 . 1 . . . . . 139 GLU CA . 27799 1 245 . 1 . 1 139 139 GLU N N 15 117.61 0.20 . 1 . . . . . 139 GLU N . 27799 1 246 . 1 . 1 140 140 ASN H H 1 9.17 0.03 . 1 . . . . . 140 ASN H . 27799 1 247 . 1 . 1 140 140 ASN CA C 13 52.57 0.20 . 1 . . . . . 140 ASN CA . 27799 1 248 . 1 . 1 140 140 ASN N N 15 118.53 0.20 . 1 . . . . . 140 ASN N . 27799 1 249 . 1 . 1 141 141 TYR H H 1 9.15 0.03 . 1 . . . . . 141 TYR H . 27799 1 250 . 1 . 1 141 141 TYR CA C 13 63.50 0.20 . 1 . . . . . 141 TYR CA . 27799 1 251 . 1 . 1 141 141 TYR N N 15 126.76 0.20 . 1 . . . . . 141 TYR N . 27799 1 252 . 1 . 1 142 142 GLU H H 1 8.73 0.03 . 1 . . . . . 142 GLU H . 27799 1 253 . 1 . 1 142 142 GLU CA C 13 59.86 0.20 . 1 . . . . . 142 GLU CA . 27799 1 254 . 1 . 1 142 142 GLU N N 15 115.69 0.20 . 1 . . . . . 142 GLU N . 27799 1 255 . 1 . 1 143 143 GLU H H 1 7.57 0.03 . 1 . . . . . 143 GLU H . 27799 1 256 . 1 . 1 143 143 GLU CA C 13 58.53 0.20 . 1 . . . . . 143 GLU CA . 27799 1 257 . 1 . 1 143 143 GLU N N 15 121.07 0.20 . 1 . . . . . 143 GLU N . 27799 1 258 . 1 . 1 144 144 TYR N N 15 61.07 0.20 . 1 . . . . . 144 TYR N . 27799 1 259 . 1 . 1 145 145 ALA H H 1 8.76 0.03 . 1 . . . . . 145 ALA H . 27799 1 260 . 1 . 1 145 145 ALA CA C 13 54.76 0.20 . 1 . . . . . 145 ALA CA . 27799 1 261 . 1 . 1 145 145 ALA N N 15 121.51 0.20 . 1 . . . . . 145 ALA N . 27799 1 262 . 1 . 1 146 146 ALA H H 1 7.81 0.03 . 1 . . . . . 146 ALA H . 27799 1 263 . 1 . 1 146 146 ALA CA C 13 55.04 0.20 . 1 . . . . . 146 ALA CA . 27799 1 264 . 1 . 1 146 146 ALA N N 15 119.71 0.20 . 1 . . . . . 146 ALA N . 27799 1 265 . 1 . 1 147 147 ARG H H 1 7.80 0.03 . 1 . . . . . 147 ARG H . 27799 1 266 . 1 . 1 147 147 ARG CA C 13 58.42 0.20 . 1 . . . . . 147 ARG CA . 27799 1 267 . 1 . 1 147 147 ARG N N 15 119.40 0.20 . 1 . . . . . 147 ARG N . 27799 1 268 . 1 . 1 148 148 ALA H H 1 8.45 0.03 . 1 . . . . . 148 ALA H . 27799 1 269 . 1 . 1 148 148 ALA CA C 13 54.97 0.20 . 1 . . . . . 148 ALA CA . 27799 1 270 . 1 . 1 148 148 ALA N N 15 120.38 0.20 . 1 . . . . . 148 ALA N . 27799 1 271 . 1 . 1 151 151 LEU H H 1 7.65 0.03 . 1 . . . . . 151 LEU H . 27799 1 272 . 1 . 1 151 151 LEU CA C 13 57.58 0.20 . 1 . . . . . 151 LEU CA . 27799 1 273 . 1 . 1 151 151 LEU N N 15 116.07 0.20 . 1 . . . . . 151 LEU N . 27799 1 274 . 1 . 1 152 152 THR H H 1 7.93 0.03 . 1 . . . . . 152 THR H . 27799 1 275 . 1 . 1 152 152 THR CA C 13 67.17 0.20 . 1 . . . . . 152 THR CA . 27799 1 276 . 1 . 1 152 152 THR N N 15 121.09 0.20 . 1 . . . . . 152 THR N . 27799 1 277 . 1 . 1 153 153 GLU H H 1 8.30 0.03 . 1 . . . . . 153 GLU H . 27799 1 278 . 1 . 1 153 153 GLU CA C 13 58.49 0.20 . 1 . . . . . 153 GLU CA . 27799 1 279 . 1 . 1 153 153 GLU N N 15 124.18 0.20 . 1 . . . . . 153 GLU N . 27799 1 280 . 1 . 1 154 154 ILE H H 1 7.87 0.03 . 1 . . . . . 154 ILE H . 27799 1 281 . 1 . 1 154 154 ILE CA C 13 63.37 0.20 . 1 . . . . . 154 ILE CA . 27799 1 282 . 1 . 1 154 154 ILE N N 15 118.72 0.20 . 1 . . . . . 154 ILE N . 27799 1 283 . 1 . 1 156 156 GLY H H 1 8.21 0.03 . 1 . . . . . 156 GLY H . 27799 1 284 . 1 . 1 156 156 GLY CA C 13 45.98 0.20 . 1 . . . . . 156 GLY CA . 27799 1 285 . 1 . 1 156 156 GLY N N 15 115.65 0.20 . 1 . . . . . 156 GLY N . 27799 1 286 . 2 . 2 2 2 GLN H H 1 8.97 0.03 . 1 . . . . . 202 GLN H . 27799 1 287 . 2 . 2 2 2 GLN CA C 13 55.00 0.20 . 1 . . . . . 202 GLN CA . 27799 1 288 . 2 . 2 2 2 GLN N N 15 122.94 0.20 . 1 . . . . . 202 GLN N . 27799 1 289 . 2 . 2 3 3 ILE H H 1 8.30 0.03 . 1 . . . . . 203 ILE H . 27799 1 290 . 2 . 2 3 3 ILE CA C 13 59.68 0.20 . 1 . . . . . 203 ILE CA . 27799 1 291 . 2 . 2 3 3 ILE N N 15 114.90 0.20 . 1 . . . . . 203 ILE N . 27799 1 292 . 2 . 2 4 4 PHE H H 1 8.55 0.03 . 1 . . . . . 204 PHE H . 27799 1 293 . 2 . 2 4 4 PHE CA C 13 55.23 0.20 . 1 . . . . . 204 PHE CA . 27799 1 294 . 2 . 2 4 4 PHE N N 15 118.81 0.20 . 1 . . . . . 204 PHE N . 27799 1 295 . 2 . 2 5 5 VAL H H 1 9.35 0.03 . 1 . . . . . 205 VAL H . 27799 1 296 . 2 . 2 5 5 VAL CA C 13 60.52 0.20 . 1 . . . . . 205 VAL CA . 27799 1 297 . 2 . 2 5 5 VAL N N 15 121.93 0.20 . 1 . . . . . 205 VAL N . 27799 1 298 . 2 . 2 6 6 LYS H H 1 8.99 0.03 . 1 . . . . . 206 LYS H . 27799 1 299 . 2 . 2 6 6 LYS CA C 13 54.32 0.20 . 1 . . . . . 206 LYS CA . 27799 1 300 . 2 . 2 6 6 LYS N N 15 127.91 0.20 . 1 . . . . . 206 LYS N . 27799 1 301 . 2 . 2 9 9 THR H H 1 7.63 0.03 . 1 . . . . . 209 THR H . 27799 1 302 . 2 . 2 9 9 THR CA C 13 61.35 0.20 . 1 . . . . . 209 THR CA . 27799 1 303 . 2 . 2 9 9 THR N N 15 105.19 0.20 . 1 . . . . . 209 THR N . 27799 1 304 . 2 . 2 10 10 GLY H H 1 7.76 0.03 . 1 . . . . . 210 GLY H . 27799 1 305 . 2 . 2 10 10 GLY CA C 13 45.54 0.20 . 1 . . . . . 210 GLY CA . 27799 1 306 . 2 . 2 10 10 GLY N N 15 109.08 0.20 . 1 . . . . . 210 GLY N . 27799 1 307 . 2 . 2 11 11 LYS H H 1 7.35 0.03 . 1 . . . . . 211 LYS H . 27799 1 308 . 2 . 2 11 11 LYS CA C 13 56.33 0.20 . 1 . . . . . 211 LYS CA . 27799 1 309 . 2 . 2 11 11 LYS N N 15 122.14 0.20 . 1 . . . . . 211 LYS N . 27799 1 310 . 2 . 2 12 12 THR H H 1 8.68 0.03 . 1 . . . . . 212 THR H . 27799 1 311 . 2 . 2 12 12 THR CA C 13 62.50 0.20 . 1 . . . . . 212 THR CA . 27799 1 312 . 2 . 2 12 12 THR N N 15 120.82 0.20 . 1 . . . . . 212 THR N . 27799 1 313 . 2 . 2 14 14 THR CA C 13 62.38 0.20 . 1 . . . . . 214 THR CA . 27799 1 314 . 2 . 2 15 15 LEU H H 1 8.68 0.03 . 1 . . . . . 215 LEU H . 27799 1 315 . 2 . 2 15 15 LEU CA C 13 52.76 0.20 . 1 . . . . . 215 LEU CA . 27799 1 316 . 2 . 2 15 15 LEU N N 15 125.49 0.20 . 1 . . . . . 215 LEU N . 27799 1 317 . 2 . 2 16 16 GLU H H 1 8.14 0.03 . 1 . . . . . 216 GLU H . 27799 1 318 . 2 . 2 16 16 GLU CA C 13 54.94 0.20 . 1 . . . . . 216 GLU CA . 27799 1 319 . 2 . 2 16 16 GLU N N 15 122.62 0.20 . 1 . . . . . 216 GLU N . 27799 1 320 . 2 . 2 17 17 VAL H H 1 8.96 0.03 . 1 . . . . . 217 VAL H . 27799 1 321 . 2 . 2 17 17 VAL CA C 13 58.48 0.20 . 1 . . . . . 217 VAL CA . 27799 1 322 . 2 . 2 17 17 VAL N N 15 117.77 0.20 . 1 . . . . . 217 VAL N . 27799 1 323 . 2 . 2 18 18 GLU H H 1 8.66 0.03 . 1 . . . . . 218 GLU H . 27799 1 324 . 2 . 2 18 18 GLU CA C 13 52.77 0.20 . 1 . . . . . 218 GLU CA . 27799 1 325 . 2 . 2 18 18 GLU N N 15 119.39 0.20 . 1 . . . . . 218 GLU N . 27799 1 326 . 2 . 2 19 19 PRO CA C 13 65.31 0.20 . 1 . . . . . 219 PRO CA . 27799 1 327 . 2 . 2 20 20 SER H H 1 7.04 0.03 . 1 . . . . . 220 SER H . 27799 1 328 . 2 . 2 20 20 SER CA C 13 57.42 0.20 . 1 . . . . . 220 SER CA . 27799 1 329 . 2 . 2 20 20 SER N N 15 103.48 0.20 . 1 . . . . . 220 SER N . 27799 1 330 . 2 . 2 21 21 ASP CA C 13 55.90 0.20 . 1 . . . . . 221 ASP CA . 27799 1 331 . 2 . 2 22 22 THR H H 1 7.88 0.03 . 1 . . . . . 222 THR H . 27799 1 332 . 2 . 2 22 22 THR CA C 13 59.69 0.20 . 1 . . . . . 222 THR CA . 27799 1 333 . 2 . 2 22 22 THR N N 15 109.10 0.20 . 1 . . . . . 222 THR N . 27799 1 334 . 2 . 2 23 23 ILE H H 1 8.53 0.03 . 1 . . . . . 223 ILE H . 27799 1 335 . 2 . 2 23 23 ILE CA C 13 62.35 0.20 . 1 . . . . . 223 ILE CA . 27799 1 336 . 2 . 2 23 23 ILE N N 15 121.54 0.20 . 1 . . . . . 223 ILE N . 27799 1 337 . 2 . 2 24 24 GLU CA C 13 60.60 0.20 . 1 . . . . . 224 GLU CA . 27799 1 338 . 2 . 2 25 25 ASN H H 1 7.93 0.03 . 1 . . . . . 225 ASN H . 27799 1 339 . 2 . 2 25 25 ASN CA C 13 56.01 0.20 . 1 . . . . . 225 ASN CA . 27799 1 340 . 2 . 2 25 25 ASN N N 15 121.54 0.20 . 1 . . . . . 225 ASN N . 27799 1 341 . 2 . 2 26 26 VAL H H 1 8.13 0.03 . 1 . . . . . 226 VAL H . 27799 1 342 . 2 . 2 26 26 VAL CA C 13 67.76 0.20 . 1 . . . . . 226 VAL CA . 27799 1 343 . 2 . 2 26 26 VAL N N 15 122.38 0.20 . 1 . . . . . 226 VAL N . 27799 1 344 . 2 . 2 27 27 LYS H H 1 8.56 0.03 . 1 . . . . . 227 LYS H . 27799 1 345 . 2 . 2 27 27 LYS CA C 13 59.31 0.20 . 1 . . . . . 227 LYS CA . 27799 1 346 . 2 . 2 27 27 LYS N N 15 119.05 0.20 . 1 . . . . . 227 LYS N . 27799 1 347 . 2 . 2 28 28 ALA H H 1 7.98 0.03 . 1 . . . . . 228 ALA H . 27799 1 348 . 2 . 2 28 28 ALA CA C 13 55.37 0.20 . 1 . . . . . 228 ALA CA . 27799 1 349 . 2 . 2 28 28 ALA N N 15 123.54 0.20 . 1 . . . . . 228 ALA N . 27799 1 350 . 2 . 2 29 29 LYS H H 1 7.90 0.03 . 1 . . . . . 229 LYS H . 27799 1 351 . 2 . 2 29 29 LYS CA C 13 59.83 0.20 . 1 . . . . . 229 LYS CA . 27799 1 352 . 2 . 2 29 29 LYS N N 15 120.43 0.20 . 1 . . . . . 229 LYS N . 27799 1 353 . 2 . 2 30 30 ILE H H 1 8.27 0.03 . 1 . . . . . 230 ILE H . 27799 1 354 . 2 . 2 30 30 ILE CA C 13 66.18 0.20 . 1 . . . . . 230 ILE CA . 27799 1 355 . 2 . 2 30 30 ILE N N 15 121.48 0.20 . 1 . . . . . 230 ILE N . 27799 1 356 . 2 . 2 31 31 GLN H H 1 8.55 0.03 . 1 . . . . . 231 GLN H . 27799 1 357 . 2 . 2 31 31 GLN CA C 13 60.10 0.20 . 1 . . . . . 231 GLN CA . 27799 1 358 . 2 . 2 31 31 GLN N N 15 123.66 0.20 . 1 . . . . . 231 GLN N . 27799 1 359 . 2 . 2 32 32 ASP H H 1 8.07 0.03 . 1 . . . . . 232 ASP H . 27799 1 360 . 2 . 2 32 32 ASP CA C 13 57.49 0.20 . 1 . . . . . 232 ASP CA . 27799 1 361 . 2 . 2 32 32 ASP N N 15 119.98 0.20 . 1 . . . . . 232 ASP N . 27799 1 362 . 2 . 2 33 33 LYS H H 1 7.48 0.03 . 1 . . . . . 233 LYS H . 27799 1 363 . 2 . 2 33 33 LYS CA C 13 58.30 0.20 . 1 . . . . . 233 LYS CA . 27799 1 364 . 2 . 2 33 33 LYS N N 15 115.71 0.20 . 1 . . . . . 233 LYS N . 27799 1 365 . 2 . 2 34 34 GLU H H 1 8.71 0.03 . 1 . . . . . 234 GLU H . 27799 1 366 . 2 . 2 34 34 GLU CA C 13 55.34 0.20 . 1 . . . . . 234 GLU CA . 27799 1 367 . 2 . 2 34 34 GLU N N 15 114.21 0.20 . 1 . . . . . 234 GLU N . 27799 1 368 . 2 . 2 35 35 GLY H H 1 8.49 0.03 . 1 . . . . . 235 GLY H . 27799 1 369 . 2 . 2 35 35 GLY CA C 13 46.06 0.20 . 1 . . . . . 235 GLY CA . 27799 1 370 . 2 . 2 35 35 GLY N N 15 108.93 0.20 . 1 . . . . . 235 GLY N . 27799 1 371 . 2 . 2 36 36 ILE H H 1 6.14 0.03 . 1 . . . . . 236 ILE H . 27799 1 372 . 2 . 2 36 36 ILE N N 15 120.43 0.20 . 1 . . . . . 236 ILE N . 27799 1 373 . 2 . 2 38 38 PRO CA C 13 66.21 0.20 . 1 . . . . . 238 PRO CA . 27799 1 374 . 2 . 2 39 39 ASP H H 1 8.53 0.03 . 1 . . . . . 239 ASP H . 27799 1 375 . 2 . 2 39 39 ASP CA C 13 55.79 0.20 . 1 . . . . . 239 ASP CA . 27799 1 376 . 2 . 2 39 39 ASP N N 15 113.71 0.20 . 1 . . . . . 239 ASP N . 27799 1 377 . 2 . 2 40 40 GLN H H 1 7.81 0.03 . 1 . . . . . 240 GLN H . 27799 1 378 . 2 . 2 40 40 GLN CA C 13 55.59 0.20 . 1 . . . . . 240 GLN CA . 27799 1 379 . 2 . 2 40 40 GLN N N 15 116.97 0.20 . 1 . . . . . 240 GLN N . 27799 1 380 . 2 . 2 41 41 GLN H H 1 7.47 0.03 . 1 . . . . . 241 GLN H . 27799 1 381 . 2 . 2 41 41 GLN CA C 13 56.75 0.20 . 1 . . . . . 241 GLN CA . 27799 1 382 . 2 . 2 41 41 GLN N N 15 118.06 0.20 . 1 . . . . . 241 GLN N . 27799 1 383 . 2 . 2 42 42 ARG CA C 13 55.20 0.20 . 1 . . . . . 242 ARG CA . 27799 1 384 . 2 . 2 43 43 LEU H H 1 8.82 0.03 . 1 . . . . . 243 LEU H . 27799 1 385 . 2 . 2 43 43 LEU CA C 13 53.03 0.20 . 1 . . . . . 243 LEU CA . 27799 1 386 . 2 . 2 43 43 LEU N N 15 124.78 0.20 . 1 . . . . . 243 LEU N . 27799 1 387 . 2 . 2 44 44 ILE H H 1 9.20 0.03 . 1 . . . . . 244 ILE H . 27799 1 388 . 2 . 2 44 44 ILE CA C 13 58.32 0.20 . 1 . . . . . 244 ILE CA . 27799 1 389 . 2 . 2 44 44 ILE N N 15 122.68 0.20 . 1 . . . . . 244 ILE N . 27799 1 390 . 2 . 2 45 45 PHE H H 1 8.81 0.03 . 1 . . . . . 245 PHE H . 27799 1 391 . 2 . 2 45 45 PHE CA C 13 56.86 0.20 . 1 . . . . . 245 PHE CA . 27799 1 392 . 2 . 2 45 45 PHE N N 15 125.45 0.20 . 1 . . . . . 245 PHE N . 27799 1 393 . 2 . 2 46 46 ALA H H 1 8.85 0.03 . 1 . . . . . 246 ALA H . 27799 1 394 . 2 . 2 46 46 ALA N N 15 132.60 0.20 . 1 . . . . . 246 ALA N . 27799 1 395 . 2 . 2 47 47 GLY H H 1 8.26 0.03 . 1 . . . . . 247 GLY H . 27799 1 396 . 2 . 2 47 47 GLY N N 15 101.68 0.20 . 1 . . . . . 247 GLY N . 27799 1 397 . 2 . 2 49 49 GLN CA C 13 55.60 0.20 . 1 . . . . . 249 GLN CA . 27799 1 398 . 2 . 2 50 50 LEU H H 1 8.57 0.03 . 1 . . . . . 250 LEU H . 27799 1 399 . 2 . 2 50 50 LEU CA C 13 54.14 0.20 . 1 . . . . . 250 LEU CA . 27799 1 400 . 2 . 2 50 50 LEU N N 15 126.07 0.20 . 1 . . . . . 250 LEU N . 27799 1 401 . 2 . 2 51 51 GLU H H 1 8.42 0.03 . 1 . . . . . 251 GLU H . 27799 1 402 . 2 . 2 51 51 GLU CA C 13 56.10 0.20 . 1 . . . . . 251 GLU CA . 27799 1 403 . 2 . 2 51 51 GLU N N 15 123.21 0.20 . 1 . . . . . 251 GLU N . 27799 1 404 . 2 . 2 52 52 ASP H H 1 8.18 0.03 . 1 . . . . . 252 ASP H . 27799 1 405 . 2 . 2 52 52 ASP CA C 13 56.70 0.20 . 1 . . . . . 252 ASP CA . 27799 1 406 . 2 . 2 52 52 ASP N N 15 120.59 0.20 . 1 . . . . . 252 ASP N . 27799 1 407 . 2 . 2 53 53 GLY CA C 13 45.20 0.20 . 1 . . . . . 253 GLY CA . 27799 1 408 . 2 . 2 54 54 ARG H H 1 7.47 0.03 . 1 . . . . . 254 ARG H . 27799 1 409 . 2 . 2 54 54 ARG CA C 13 54.36 0.20 . 1 . . . . . 254 ARG CA . 27799 1 410 . 2 . 2 54 54 ARG N N 15 119.50 0.20 . 1 . . . . . 254 ARG N . 27799 1 411 . 2 . 2 55 55 THR H H 1 8.83 0.03 . 1 . . . . . 255 THR H . 27799 1 412 . 2 . 2 55 55 THR CA C 13 59.73 0.20 . 1 . . . . . 255 THR CA . 27799 1 413 . 2 . 2 55 55 THR N N 15 108.87 0.20 . 1 . . . . . 255 THR N . 27799 1 414 . 2 . 2 56 56 LEU H H 1 8.15 0.03 . 1 . . . . . 256 LEU H . 27799 1 415 . 2 . 2 56 56 LEU CA C 13 58.66 0.20 . 1 . . . . . 256 LEU CA . 27799 1 416 . 2 . 2 56 56 LEU N N 15 118.17 0.20 . 1 . . . . . 256 LEU N . 27799 1 417 . 2 . 2 57 57 SER H H 1 8.49 0.03 . 1 . . . . . 257 SER H . 27799 1 418 . 2 . 2 57 57 SER CA C 13 61.14 0.20 . 1 . . . . . 257 SER CA . 27799 1 419 . 2 . 2 57 57 SER N N 15 113.55 0.20 . 1 . . . . . 257 SER N . 27799 1 420 . 2 . 2 58 58 ASP H H 1 7.96 0.03 . 1 . . . . . 258 ASP H . 27799 1 421 . 2 . 2 58 58 ASP CA C 13 57.46 0.20 . 1 . . . . . 258 ASP CA . 27799 1 422 . 2 . 2 58 58 ASP N N 15 124.74 0.20 . 1 . . . . . 258 ASP N . 27799 1 423 . 2 . 2 59 59 TYR H H 1 7.26 0.03 . 1 . . . . . 259 TYR H . 27799 1 424 . 2 . 2 59 59 TYR CA C 13 58.38 0.20 . 1 . . . . . 259 TYR CA . 27799 1 425 . 2 . 2 59 59 TYR N N 15 115.89 0.20 . 1 . . . . . 259 TYR N . 27799 1 426 . 2 . 2 60 60 ASN H H 1 8.16 0.03 . 1 . . . . . 260 ASN H . 27799 1 427 . 2 . 2 60 60 ASN CA C 13 54.14 0.20 . 1 . . . . . 260 ASN CA . 27799 1 428 . 2 . 2 60 60 ASN N N 15 116.05 0.20 . 1 . . . . . 260 ASN N . 27799 1 429 . 2 . 2 61 61 ILE H H 1 7.27 0.03 . 1 . . . . . 261 ILE H . 27799 1 430 . 2 . 2 61 61 ILE CA C 13 62.56 0.20 . 1 . . . . . 261 ILE CA . 27799 1 431 . 2 . 2 61 61 ILE N N 15 119.11 0.20 . 1 . . . . . 261 ILE N . 27799 1 432 . 2 . 2 62 62 GLN H H 1 7.65 0.03 . 1 . . . . . 262 GLN H . 27799 1 433 . 2 . 2 62 62 GLN CA C 13 53.59 0.20 . 1 . . . . . 262 GLN CA . 27799 1 434 . 2 . 2 62 62 GLN N N 15 125.02 0.20 . 1 . . . . . 262 GLN N . 27799 1 435 . 2 . 2 63 63 LYS H H 1 8.49 0.03 . 1 . . . . . 263 LYS H . 27799 1 436 . 2 . 2 63 63 LYS CA C 13 57.93 0.20 . 1 . . . . . 263 LYS CA . 27799 1 437 . 2 . 2 63 63 LYS N N 15 120.64 0.20 . 1 . . . . . 263 LYS N . 27799 1 438 . 2 . 2 64 64 GLU H H 1 9.30 0.03 . 1 . . . . . 264 GLU H . 27799 1 439 . 2 . 2 64 64 GLU CA C 13 58.20 0.20 . 1 . . . . . 264 GLU CA . 27799 1 440 . 2 . 2 64 64 GLU N N 15 114.89 0.20 . 1 . . . . . 264 GLU N . 27799 1 441 . 2 . 2 65 65 SER H H 1 7.66 0.03 . 1 . . . . . 265 SER H . 27799 1 442 . 2 . 2 65 65 SER CA C 13 61.02 0.20 . 1 . . . . . 265 SER CA . 27799 1 443 . 2 . 2 65 65 SER N N 15 115.01 0.20 . 1 . . . . . 265 SER N . 27799 1 444 . 2 . 2 66 66 THR H H 1 8.74 0.03 . 1 . . . . . 266 THR H . 27799 1 445 . 2 . 2 66 66 THR CA C 13 62.67 0.20 . 1 . . . . . 266 THR CA . 27799 1 446 . 2 . 2 66 66 THR N N 15 117.72 0.20 . 1 . . . . . 266 THR N . 27799 1 447 . 2 . 2 67 67 LEU H H 1 9.37 0.03 . 1 . . . . . 267 LEU H . 27799 1 448 . 2 . 2 67 67 LEU CA C 13 53.93 0.20 . 1 . . . . . 267 LEU CA . 27799 1 449 . 2 . 2 67 67 LEU N N 15 128.06 0.20 . 1 . . . . . 267 LEU N . 27799 1 stop_ save_