data_26529 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26529 _Entry.Title ; WHB in complex with UBCH10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-03 _Entry.Accession_date 2015-03-03 _Entry.Last_release_date 2015-06-17 _Entry.Original_release_date 2015-06-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Grace Royappa . . . . 26529 2 Nicholas Brown . . . . 26529 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26529 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 26529 '15N chemical shifts' 85 26529 '1H chemical shifts' 85 26529 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 2 . . 2016-12-21 2015-03-03 update BMRB 'update entry citation' 26529 1 . . 2015-06-17 2015-03-03 original author 'original release' 26529 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26526 UBCH10 26529 BMRB 26527 WHB 26529 BMRB 26528 'UBCH10 in complex with WHB' 26529 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26529 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25825779 _Citation.Full_citation . _Citation.Title ; RING E3 mechanism for ubiquitin ligation to a disordered substrate visualized for human anaphase-promoting complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 112 _Citation.Journal_volume 17 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5272 _Citation.Page_last 5279 _Citation.Year 2015 _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 Nicholas Brown . G. . . 26529 1 2 Ryan VanderLinden . . . . 26529 1 3 Edmond Watson . R. . . 26529 1 4 Renping Qiao . . . . 26529 1 5 Christy Grace . R. . . 26529 1 6 Masaya Yamaguchi . . . . 26529 1 7 Florian Weissmann . . . . 26529 1 8 Jeremiah Frye . J. . . 26529 1 9 Prakash Dube . . . . 26529 1 10 Shein Cho . E. . . 26529 1 11 Marcelo Actis . L. . . 26529 1 12 Patrick Rodrigues . . . . 26529 1 13 Naoaki Fujii . . . . 26529 1 14 Jan-Michael Peters . . . . 26529 1 15 Holger Stark . . . . 26529 1 16 Brenda Schulman . A. . . 26529 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26529 _Assembly.ID 1 _Assembly.Name 'WHB in complex with UBCH10' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Molecule_4 1 $Molecule_4 A . yes native no no . . . 26529 1 2 UB 2 $Molecule_5 B . no native no no . . . 26529 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Molecule_4 _Entity.Sf_category entity _Entity.Sf_framecode Molecule_4 _Entity.Entry_ID 26529 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Molecule_4 _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 ; GSESDSGMASQADQKEEELL LFWTYIQAMLTNLESLSLDR IYNMLRMFVVTGPALAEIDL QELQGYLQKKVRDQQLVYSA GVYRLPKNCS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GLY . 26529 1 2 2 SER . 26529 1 3 3 GLU . 26529 1 4 4 SER . 26529 1 5 5 ASP . 26529 1 6 6 SER . 26529 1 7 7 GLY . 26529 1 8 8 MET . 26529 1 9 9 ALA . 26529 1 10 10 SER . 26529 1 11 11 GLN . 26529 1 12 12 ALA . 26529 1 13 13 ASP . 26529 1 14 14 GLN . 26529 1 15 15 LYS . 26529 1 16 16 GLU . 26529 1 17 17 GLU . 26529 1 18 18 GLU . 26529 1 19 19 LEU . 26529 1 20 20 LEU . 26529 1 21 21 LEU . 26529 1 22 22 PHE . 26529 1 23 23 TRP . 26529 1 24 24 THR . 26529 1 25 25 TYR . 26529 1 26 26 ILE . 26529 1 27 27 GLN . 26529 1 28 28 ALA . 26529 1 29 29 MET . 26529 1 30 30 LEU . 26529 1 31 31 THR . 26529 1 32 32 ASN . 26529 1 33 33 LEU . 26529 1 34 34 GLU . 26529 1 35 35 SER . 26529 1 36 36 LEU . 26529 1 37 37 SER . 26529 1 38 38 LEU . 26529 1 39 39 ASP . 26529 1 40 40 ARG . 26529 1 41 41 ILE . 26529 1 42 42 TYR . 26529 1 43 43 ASN . 26529 1 44 44 MET . 26529 1 45 45 LEU . 26529 1 46 46 ARG . 26529 1 47 47 MET . 26529 1 48 48 PHE . 26529 1 49 49 VAL . 26529 1 50 50 VAL . 26529 1 51 51 THR . 26529 1 52 52 GLY . 26529 1 53 53 PRO . 26529 1 54 54 ALA . 26529 1 55 55 LEU . 26529 1 56 56 ALA . 26529 1 57 57 GLU . 26529 1 58 58 ILE . 26529 1 59 59 ASP . 26529 1 60 60 LEU . 26529 1 61 61 GLN . 26529 1 62 62 GLU . 26529 1 63 63 LEU . 26529 1 64 64 GLN . 26529 1 65 65 GLY . 26529 1 66 66 TYR . 26529 1 67 67 LEU . 26529 1 68 68 GLN . 26529 1 69 69 LYS . 26529 1 70 70 LYS . 26529 1 71 71 VAL . 26529 1 72 72 ARG . 26529 1 73 73 ASP . 26529 1 74 74 GLN . 26529 1 75 75 GLN . 26529 1 76 76 LEU . 26529 1 77 77 VAL . 26529 1 78 78 TYR . 26529 1 79 79 SER . 26529 1 80 80 ALA . 26529 1 81 81 GLY . 26529 1 82 82 VAL . 26529 1 83 83 TYR . 26529 1 84 84 ARG . 26529 1 85 85 LEU . 26529 1 86 86 PRO . 26529 1 87 87 LYS . 26529 1 88 88 ASN . 26529 1 89 89 CYS . 26529 1 90 90 SER . 26529 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 . GLY 1 1 26529 1 . SER 2 2 26529 1 . GLU 3 3 26529 1 . SER 4 4 26529 1 . ASP 5 5 26529 1 . SER 6 6 26529 1 . GLY 7 7 26529 1 . MET 8 8 26529 1 . ALA 9 9 26529 1 . SER 10 10 26529 1 . GLN 11 11 26529 1 . ALA 12 12 26529 1 . ASP 13 13 26529 1 . GLN 14 14 26529 1 . LYS 15 15 26529 1 . GLU 16 16 26529 1 . GLU 17 17 26529 1 . GLU 18 18 26529 1 . LEU 19 19 26529 1 . LEU 20 20 26529 1 . LEU 21 21 26529 1 . PHE 22 22 26529 1 . TRP 23 23 26529 1 . THR 24 24 26529 1 . TYR 25 25 26529 1 . ILE 26 26 26529 1 . GLN 27 27 26529 1 . ALA 28 28 26529 1 . MET 29 29 26529 1 . LEU 30 30 26529 1 . THR 31 31 26529 1 . ASN 32 32 26529 1 . LEU 33 33 26529 1 . GLU 34 34 26529 1 . SER 35 35 26529 1 . LEU 36 36 26529 1 . SER 37 37 26529 1 . LEU 38 38 26529 1 . ASP 39 39 26529 1 . ARG 40 40 26529 1 . ILE 41 41 26529 1 . TYR 42 42 26529 1 . ASN 43 43 26529 1 . MET 44 44 26529 1 . LEU 45 45 26529 1 . ARG 46 46 26529 1 . MET 47 47 26529 1 . PHE 48 48 26529 1 . VAL 49 49 26529 1 . VAL 50 50 26529 1 . THR 51 51 26529 1 . GLY 52 52 26529 1 . PRO 53 53 26529 1 . ALA 54 54 26529 1 . LEU 55 55 26529 1 . ALA 56 56 26529 1 . GLU 57 57 26529 1 . ILE 58 58 26529 1 . ASP 59 59 26529 1 . LEU 60 60 26529 1 . GLN 61 61 26529 1 . GLU 62 62 26529 1 . LEU 63 63 26529 1 . GLN 64 64 26529 1 . GLY 65 65 26529 1 . TYR 66 66 26529 1 . LEU 67 67 26529 1 . GLN 68 68 26529 1 . LYS 69 69 26529 1 . LYS 70 70 26529 1 . VAL 71 71 26529 1 . ARG 72 72 26529 1 . ASP 73 73 26529 1 . GLN 74 74 26529 1 . GLN 75 75 26529 1 . LEU 76 76 26529 1 . VAL 77 77 26529 1 . TYR 78 78 26529 1 . SER 79 79 26529 1 . ALA 80 80 26529 1 . GLY 81 81 26529 1 . VAL 82 82 26529 1 . TYR 83 83 26529 1 . ARG 84 84 26529 1 . LEU 85 85 26529 1 . PRO 86 86 26529 1 . LYS 87 87 26529 1 . ASN 88 88 26529 1 . CYS 89 89 26529 1 . SER 90 90 26529 1 stop_ save_ save_Molecule_5 _Entity.Sf_category entity _Entity.Sf_framecode Molecule_5 _Entity.Entry_ID 26529 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Molecule_5 _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 ; MASQNRDPAATSVAAARKGA EPSGGGARGPVGKRLQQELM TLMMSGDKGISAFPESDNLF KWVGTIHGAAGTVYEDLRYK LSLEFPSGYPYNAPTVKFLT PCYHPNVDTQGNISLDILKE KWSALYDVRTILLSIQSLLG EPNIDSPLNTHAAELWKNPT AFKKYLQETYSKQVTSQEPG SHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 26529 2 2 2 ALA . 26529 2 3 3 SER . 26529 2 4 4 GLN . 26529 2 5 5 ASN . 26529 2 6 6 ARG . 26529 2 7 7 ASP . 26529 2 8 8 PRO . 26529 2 9 9 ALA . 26529 2 10 10 ALA . 26529 2 11 11 THR . 26529 2 12 12 SER . 26529 2 13 13 VAL . 26529 2 14 14 ALA . 26529 2 15 15 ALA . 26529 2 16 16 ALA . 26529 2 17 17 ARG . 26529 2 18 18 LYS . 26529 2 19 19 GLY . 26529 2 20 20 ALA . 26529 2 21 21 GLU . 26529 2 22 22 PRO . 26529 2 23 23 SER . 26529 2 24 24 GLY . 26529 2 25 25 GLY . 26529 2 26 26 GLY . 26529 2 27 27 ALA . 26529 2 28 28 ARG . 26529 2 29 29 GLY . 26529 2 30 30 PRO . 26529 2 31 31 VAL . 26529 2 32 32 GLY . 26529 2 33 33 LYS . 26529 2 34 34 ARG . 26529 2 35 35 LEU . 26529 2 36 36 GLN . 26529 2 37 37 GLN . 26529 2 38 38 GLU . 26529 2 39 39 LEU . 26529 2 40 40 MET . 26529 2 41 41 THR . 26529 2 42 42 LEU . 26529 2 43 43 MET . 26529 2 44 44 MET . 26529 2 45 45 SER . 26529 2 46 46 GLY . 26529 2 47 47 ASP . 26529 2 48 48 LYS . 26529 2 49 49 GLY . 26529 2 50 50 ILE . 26529 2 51 51 SER . 26529 2 52 52 ALA . 26529 2 53 53 PHE . 26529 2 54 54 PRO . 26529 2 55 55 GLU . 26529 2 56 56 SER . 26529 2 57 57 ASP . 26529 2 58 58 ASN . 26529 2 59 59 LEU . 26529 2 60 60 PHE . 26529 2 61 61 LYS . 26529 2 62 62 TRP . 26529 2 63 63 VAL . 26529 2 64 64 GLY . 26529 2 65 65 THR . 26529 2 66 66 ILE . 26529 2 67 67 HIS . 26529 2 68 68 GLY . 26529 2 69 69 ALA . 26529 2 70 70 ALA . 26529 2 71 71 GLY . 26529 2 72 72 THR . 26529 2 73 73 VAL . 26529 2 74 74 TYR . 26529 2 75 75 GLU . 26529 2 76 76 ASP . 26529 2 77 77 LEU . 26529 2 78 78 ARG . 26529 2 79 79 TYR . 26529 2 80 80 LYS . 26529 2 81 81 LEU . 26529 2 82 82 SER . 26529 2 83 83 LEU . 26529 2 84 84 GLU . 26529 2 85 85 PHE . 26529 2 86 86 PRO . 26529 2 87 87 SER . 26529 2 88 88 GLY . 26529 2 89 89 TYR . 26529 2 90 90 PRO . 26529 2 91 91 TYR . 26529 2 92 92 ASN . 26529 2 93 93 ALA . 26529 2 94 94 PRO . 26529 2 95 95 THR . 26529 2 96 96 VAL . 26529 2 97 97 LYS . 26529 2 98 98 PHE . 26529 2 99 99 LEU . 26529 2 100 100 THR . 26529 2 101 101 PRO . 26529 2 102 102 CYS . 26529 2 103 103 TYR . 26529 2 104 104 HIS . 26529 2 105 105 PRO . 26529 2 106 106 ASN . 26529 2 107 107 VAL . 26529 2 108 108 ASP . 26529 2 109 109 THR . 26529 2 110 110 GLN . 26529 2 111 111 GLY . 26529 2 112 112 ASN . 26529 2 113 113 ILE . 26529 2 114 114 SER . 26529 2 115 115 LEU . 26529 2 116 116 ASP . 26529 2 117 117 ILE . 26529 2 118 118 LEU . 26529 2 119 119 LYS . 26529 2 120 120 GLU . 26529 2 121 121 LYS . 26529 2 122 122 TRP . 26529 2 123 123 SER . 26529 2 124 124 ALA . 26529 2 125 125 LEU . 26529 2 126 126 TYR . 26529 2 127 127 ASP . 26529 2 128 128 VAL . 26529 2 129 129 ARG . 26529 2 130 130 THR . 26529 2 131 131 ILE . 26529 2 132 132 LEU . 26529 2 133 133 LEU . 26529 2 134 134 SER . 26529 2 135 135 ILE . 26529 2 136 136 GLN . 26529 2 137 137 SER . 26529 2 138 138 LEU . 26529 2 139 139 LEU . 26529 2 140 140 GLY . 26529 2 141 141 GLU . 26529 2 142 142 PRO . 26529 2 143 143 ASN . 26529 2 144 144 ILE . 26529 2 145 145 ASP . 26529 2 146 146 SER . 26529 2 147 147 PRO . 26529 2 148 148 LEU . 26529 2 149 149 ASN . 26529 2 150 150 THR . 26529 2 151 151 HIS . 26529 2 152 152 ALA . 26529 2 153 153 ALA . 26529 2 154 154 GLU . 26529 2 155 155 LEU . 26529 2 156 156 TRP . 26529 2 157 157 LYS . 26529 2 158 158 ASN . 26529 2 159 159 PRO . 26529 2 160 160 THR . 26529 2 161 161 ALA . 26529 2 162 162 PHE . 26529 2 163 163 LYS . 26529 2 164 164 LYS . 26529 2 165 165 TYR . 26529 2 166 166 LEU . 26529 2 167 167 GLN . 26529 2 168 168 GLU . 26529 2 169 169 THR . 26529 2 170 170 TYR . 26529 2 171 171 SER . 26529 2 172 172 LYS . 26529 2 173 173 GLN . 26529 2 174 174 VAL . 26529 2 175 175 THR . 26529 2 176 176 SER . 26529 2 177 177 GLN . 26529 2 178 178 GLU . 26529 2 179 179 PRO . 26529 2 180 180 GLY . 26529 2 181 181 SER . 26529 2 182 182 HIS . 26529 2 183 183 HIS . 26529 2 184 184 HIS . 26529 2 185 185 HIS . 26529 2 186 186 HIS . 26529 2 187 187 HIS . 26529 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 26529 2 . ALA 2 2 26529 2 . SER 3 3 26529 2 . GLN 4 4 26529 2 . ASN 5 5 26529 2 . ARG 6 6 26529 2 . ASP 7 7 26529 2 . PRO 8 8 26529 2 . ALA 9 9 26529 2 . ALA 10 10 26529 2 . THR 11 11 26529 2 . SER 12 12 26529 2 . VAL 13 13 26529 2 . ALA 14 14 26529 2 . ALA 15 15 26529 2 . ALA 16 16 26529 2 . ARG 17 17 26529 2 . LYS 18 18 26529 2 . GLY 19 19 26529 2 . ALA 20 20 26529 2 . GLU 21 21 26529 2 . PRO 22 22 26529 2 . SER 23 23 26529 2 . GLY 24 24 26529 2 . GLY 25 25 26529 2 . GLY 26 26 26529 2 . ALA 27 27 26529 2 . ARG 28 28 26529 2 . GLY 29 29 26529 2 . PRO 30 30 26529 2 . VAL 31 31 26529 2 . GLY 32 32 26529 2 . LYS 33 33 26529 2 . ARG 34 34 26529 2 . LEU 35 35 26529 2 . GLN 36 36 26529 2 . GLN 37 37 26529 2 . GLU 38 38 26529 2 . LEU 39 39 26529 2 . MET 40 40 26529 2 . THR 41 41 26529 2 . LEU 42 42 26529 2 . MET 43 43 26529 2 . MET 44 44 26529 2 . SER 45 45 26529 2 . GLY 46 46 26529 2 . ASP 47 47 26529 2 . LYS 48 48 26529 2 . GLY 49 49 26529 2 . ILE 50 50 26529 2 . SER 51 51 26529 2 . ALA 52 52 26529 2 . PHE 53 53 26529 2 . PRO 54 54 26529 2 . GLU 55 55 26529 2 . SER 56 56 26529 2 . ASP 57 57 26529 2 . ASN 58 58 26529 2 . LEU 59 59 26529 2 . PHE 60 60 26529 2 . LYS 61 61 26529 2 . TRP 62 62 26529 2 . VAL 63 63 26529 2 . GLY 64 64 26529 2 . THR 65 65 26529 2 . ILE 66 66 26529 2 . HIS 67 67 26529 2 . GLY 68 68 26529 2 . ALA 69 69 26529 2 . ALA 70 70 26529 2 . GLY 71 71 26529 2 . THR 72 72 26529 2 . VAL 73 73 26529 2 . TYR 74 74 26529 2 . GLU 75 75 26529 2 . ASP 76 76 26529 2 . LEU 77 77 26529 2 . ARG 78 78 26529 2 . TYR 79 79 26529 2 . LYS 80 80 26529 2 . LEU 81 81 26529 2 . SER 82 82 26529 2 . LEU 83 83 26529 2 . GLU 84 84 26529 2 . PHE 85 85 26529 2 . PRO 86 86 26529 2 . SER 87 87 26529 2 . GLY 88 88 26529 2 . TYR 89 89 26529 2 . PRO 90 90 26529 2 . TYR 91 91 26529 2 . ASN 92 92 26529 2 . ALA 93 93 26529 2 . PRO 94 94 26529 2 . THR 95 95 26529 2 . VAL 96 96 26529 2 . LYS 97 97 26529 2 . PHE 98 98 26529 2 . LEU 99 99 26529 2 . THR 100 100 26529 2 . PRO 101 101 26529 2 . CYS 102 102 26529 2 . TYR 103 103 26529 2 . HIS 104 104 26529 2 . PRO 105 105 26529 2 . ASN 106 106 26529 2 . VAL 107 107 26529 2 . ASP 108 108 26529 2 . THR 109 109 26529 2 . GLN 110 110 26529 2 . GLY 111 111 26529 2 . ASN 112 112 26529 2 . ILE 113 113 26529 2 . SER 114 114 26529 2 . LEU 115 115 26529 2 . ASP 116 116 26529 2 . ILE 117 117 26529 2 . LEU 118 118 26529 2 . LYS 119 119 26529 2 . GLU 120 120 26529 2 . LYS 121 121 26529 2 . TRP 122 122 26529 2 . SER 123 123 26529 2 . ALA 124 124 26529 2 . LEU 125 125 26529 2 . TYR 126 126 26529 2 . ASP 127 127 26529 2 . VAL 128 128 26529 2 . ARG 129 129 26529 2 . THR 130 130 26529 2 . ILE 131 131 26529 2 . LEU 132 132 26529 2 . LEU 133 133 26529 2 . SER 134 134 26529 2 . ILE 135 135 26529 2 . GLN 136 136 26529 2 . SER 137 137 26529 2 . LEU 138 138 26529 2 . LEU 139 139 26529 2 . GLY 140 140 26529 2 . GLU 141 141 26529 2 . PRO 142 142 26529 2 . ASN 143 143 26529 2 . ILE 144 144 26529 2 . ASP 145 145 26529 2 . SER 146 146 26529 2 . PRO 147 147 26529 2 . LEU 148 148 26529 2 . ASN 149 149 26529 2 . THR 150 150 26529 2 . HIS 151 151 26529 2 . ALA 152 152 26529 2 . ALA 153 153 26529 2 . GLU 154 154 26529 2 . LEU 155 155 26529 2 . TRP 156 156 26529 2 . LYS 157 157 26529 2 . ASN 158 158 26529 2 . PRO 159 159 26529 2 . THR 160 160 26529 2 . ALA 161 161 26529 2 . PHE 162 162 26529 2 . LYS 163 163 26529 2 . LYS 164 164 26529 2 . TYR 165 165 26529 2 . LEU 166 166 26529 2 . GLN 167 167 26529 2 . GLU 168 168 26529 2 . THR 169 169 26529 2 . TYR 170 170 26529 2 . SER 171 171 26529 2 . LYS 172 172 26529 2 . GLN 173 173 26529 2 . VAL 174 174 26529 2 . THR 175 175 26529 2 . SER 176 176 26529 2 . GLN 177 177 26529 2 . GLU 178 178 26529 2 . PRO 179 179 26529 2 . GLY 180 180 26529 2 . SER 181 181 26529 2 . HIS 182 182 26529 2 . HIS 183 183 26529 2 . HIS 184 184 26529 2 . HIS 185 185 26529 2 . HIS 186 186 26529 2 . HIS 187 187 26529 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 26529 _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 $Molecule_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26529 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 26529 _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 $Molecule_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PRSF1B . . . 26529 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26529 _Sample.ID 1 _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 Molecule_4 '[U-100% 13C; U-100% 15N]' . . 1 $Molecule_4 . . 0.5 . . mM . . . . 26529 1 2 Molecule_5 'natural abundance' . . 2 $Molecule_5 . . 0.6 . . mM . . . . 26529 1 3 DTT 'natural abundance' . . . . . . 0.01 . . mM . . . . 26529 1 4 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 26529 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26529 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26529 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 26529 _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' 100 . mM 26529 1 pH 7.0 . pH 26529 1 pressure 1 . atm 26529 1 temperature 298 . K 26529 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26529 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26529 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26529 1 'peak picking' 26529 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 26529 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26529 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26529 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26529 1 2 spectrometer_2 Bruker Avance . 800 . . . 26529 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 26529 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26529 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26529 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26529 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26529 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26529 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 26529 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26529 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 26529 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26529 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 26529 _Assigned_chem_shift_list.ID 1 _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' . . . 26529 1 2 '3D HNCA' . . . 26529 1 3 '3D HNCACB' . . . 26529 1 4 '3D CBCA(CO)NH' . . . 26529 1 5 '3D HNCO' . . . 26529 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 26529 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 3 3 GLU H H 1 8.789 0.020 . 1 . . . . 3 GLU H . 26529 1 2 . 1 1 3 3 GLU CA C 13 57.495 0.3 . 1 . . . . 3 GLU CA . 26529 1 3 . 1 1 3 3 GLU CB C 13 29.510 0.3 . 1 . . . . 3 GLU CB . 26529 1 4 . 1 1 3 3 GLU N N 15 123.247 0.3 . 1 . . . . 3 GLU N . 26529 1 5 . 1 1 4 4 SER H H 1 8.209 0.020 . 1 . . . . 4 SER H . 26529 1 6 . 1 1 4 4 SER CA C 13 58.606 0.3 . 1 . . . . 4 SER CA . 26529 1 7 . 1 1 4 4 SER CB C 13 63.796 0.3 . 1 . . . . 4 SER CB . 26529 1 8 . 1 1 4 4 SER N N 15 115.714 0.3 . 1 . . . . 4 SER N . 26529 1 9 . 1 1 5 5 ASP H H 1 8.172 0.020 . 1 . . . . 5 ASP H . 26529 1 10 . 1 1 5 5 ASP CA C 13 54.682 0.3 . 1 . . . . 5 ASP CA . 26529 1 11 . 1 1 5 5 ASP CB C 13 41.133 0.3 . 1 . . . . 5 ASP CB . 26529 1 12 . 1 1 5 5 ASP N N 15 122.856 0.3 . 1 . . . . 5 ASP N . 26529 1 13 . 1 1 6 6 SER H H 1 8.179 0.020 . 1 . . . . 6 SER H . 26529 1 14 . 1 1 6 6 SER CA C 13 59.050 0.3 . 1 . . . . 6 SER CA . 26529 1 15 . 1 1 6 6 SER CB C 13 63.714 0.3 . 1 . . . . 6 SER CB . 26529 1 16 . 1 1 6 6 SER N N 15 116.178 0.3 . 1 . . . . 6 SER N . 26529 1 17 . 1 1 7 7 GLY H H 1 8.382 0.020 . 1 . . . . 7 GLY H . 26529 1 18 . 1 1 7 7 GLY CA C 13 45.649 0.3 . 1 . . . . 7 GLY CA . 26529 1 19 . 1 1 7 7 GLY N N 15 111.010 0.3 . 1 . . . . 7 GLY N . 26529 1 20 . 1 1 8 8 MET H H 1 8.031 0.020 . 1 . . . . 8 MET H . 26529 1 21 . 1 1 8 8 MET C C 13 176.217 0.3 . 1 . . . . 8 MET C . 26529 1 22 . 1 1 8 8 MET CA C 13 55.644 0.3 . 1 . . . . 8 MET CA . 26529 1 23 . 1 1 8 8 MET CB C 13 32.841 0.3 . 1 . . . . 8 MET CB . 26529 1 24 . 1 1 8 8 MET N N 15 120.046 0.3 . 1 . . . . 8 MET N . 26529 1 25 . 1 1 9 9 ALA H H 1 8.265 0.020 . 1 . . . . 9 ALA H . 26529 1 26 . 1 1 9 9 ALA CA C 13 52.757 0.3 . 1 . . . . 9 ALA CA . 26529 1 27 . 1 1 9 9 ALA CB C 13 19.071 0.3 . 1 . . . . 9 ALA CB . 26529 1 28 . 1 1 9 9 ALA N N 15 125.500 0.3 . 1 . . . . 9 ALA N . 26529 1 29 . 1 1 10 10 SER H H 1 8.256 0.020 . 1 . . . . 10 SER H . 26529 1 30 . 1 1 10 10 SER CA C 13 58.383 0.3 . 1 . . . . 10 SER CA . 26529 1 31 . 1 1 10 10 SER CB C 13 63.862 0.3 . 1 . . . . 10 SER CB . 26529 1 32 . 1 1 10 10 SER N N 15 115.469 0.3 . 1 . . . . 10 SER N . 26529 1 33 . 1 1 11 11 GLN H H 1 8.351 0.020 . 1 . . . . 11 GLN H . 26529 1 34 . 1 1 11 11 GLN CA C 13 56.425 0.3 . 1 . . . . 11 GLN CA . 26529 1 35 . 1 1 11 11 GLN CB C 13 29.065 0.3 . 1 . . . . 11 GLN CB . 26529 1 36 . 1 1 11 11 GLN N N 15 122.563 0.3 . 1 . . . . 11 GLN N . 26529 1 37 . 1 1 12 12 ALA H H 1 8.214 0.020 . 1 . . . . 12 ALA H . 26529 1 38 . 1 1 12 12 ALA C C 13 178.063 0.3 . 1 . . . . 12 ALA C . 26529 1 39 . 1 1 12 12 ALA CA C 13 53.259 0.3 . 1 . . . . 12 ALA CA . 26529 1 40 . 1 1 12 12 ALA CB C 13 18.849 0.3 . 1 . . . . 12 ALA CB . 26529 1 41 . 1 1 12 12 ALA N N 15 124.843 0.3 . 1 . . . . 12 ALA N . 26529 1 42 . 1 1 13 13 ASP H H 1 8.197 0.020 . 1 . . . . 13 ASP H . 26529 1 43 . 1 1 13 13 ASP C C 13 177.141 0.3 . 1 . . . . 13 ASP C . 26529 1 44 . 1 1 13 13 ASP CA C 13 54.995 0.3 . 1 . . . . 13 ASP CA . 26529 1 45 . 1 1 13 13 ASP CB C 13 40.985 0.3 . 1 . . . . 13 ASP CB . 26529 1 46 . 1 1 13 13 ASP N N 15 119.917 0.3 . 1 . . . . 13 ASP N . 26529 1 47 . 1 1 14 14 GLN H H 1 8.228 0.020 . 1 . . . . 14 GLN H . 26529 1 48 . 1 1 14 14 GLN C C 13 178.759 0.3 . 1 . . . . 14 GLN C . 26529 1 49 . 1 1 14 14 GLN CA C 13 57.471 0.3 . 1 . . . . 14 GLN CA . 26529 1 50 . 1 1 14 14 GLN CB C 13 28.399 0.3 . 1 . . . . 14 GLN CB . 26529 1 51 . 1 1 14 14 GLN N N 15 121.554 0.3 . 1 . . . . 14 GLN N . 26529 1 52 . 1 1 15 15 LYS H H 1 7.658 0.020 . 1 . . . . 15 LYS H . 26529 1 53 . 1 1 15 15 LYS C C 13 176.711 0.3 . 1 . . . . 15 LYS C . 26529 1 54 . 1 1 15 15 LYS CA C 13 58.716 0.3 . 1 . . . . 15 LYS CA . 26529 1 55 . 1 1 15 15 LYS CB C 13 32.249 0.3 . 1 . . . . 15 LYS CB . 26529 1 56 . 1 1 15 15 LYS N N 15 116.016 0.3 . 1 . . . . 15 LYS N . 26529 1 57 . 1 1 16 16 GLU H H 1 8.277 0.020 . 1 . . . . 16 GLU H . 26529 1 58 . 1 1 16 16 GLU C C 13 176.673 0.3 . 1 . . . . 16 GLU C . 26529 1 59 . 1 1 16 16 GLU CA C 13 58.978 0.3 . 1 . . . . 16 GLU CA . 26529 1 60 . 1 1 16 16 GLU CB C 13 29.213 0.3 . 1 . . . . 16 GLU CB . 26529 1 61 . 1 1 16 16 GLU N N 15 119.771 0.3 . 1 . . . . 16 GLU N . 26529 1 62 . 1 1 17 17 GLU H H 1 8.240 0.020 . 1 . . . . 17 GLU H . 26529 1 63 . 1 1 17 17 GLU C C 13 179.456 0.3 . 1 . . . . 17 GLU C . 26529 1 64 . 1 1 17 17 GLU CA C 13 59.198 0.3 . 1 . . . . 17 GLU CA . 26529 1 65 . 1 1 17 17 GLU CB C 13 29.490 0.3 . 1 . . . . 17 GLU CB . 26529 1 66 . 1 1 17 17 GLU N N 15 116.750 0.3 . 1 . . . . 17 GLU N . 26529 1 67 . 1 1 18 18 GLU H H 1 8.088 0.020 . 1 . . . . 18 GLU H . 26529 1 68 . 1 1 18 18 GLU C C 13 179.016 0.3 . 1 . . . . 18 GLU C . 26529 1 69 . 1 1 18 18 GLU CA C 13 59.207 0.3 . 1 . . . . 18 GLU CA . 26529 1 70 . 1 1 18 18 GLU CB C 13 28.843 0.3 . 1 . . . . 18 GLU CB . 26529 1 71 . 1 1 18 18 GLU N N 15 121.772 0.3 . 1 . . . . 18 GLU N . 26529 1 72 . 1 1 19 19 LEU H H 1 7.931 0.020 . 1 . . . . 19 LEU H . 26529 1 73 . 1 1 19 19 LEU C C 13 178.607 0.3 . 1 . . . . 19 LEU C . 26529 1 74 . 1 1 19 19 LEU CA C 13 57.111 0.3 . 1 . . . . 19 LEU CA . 26529 1 75 . 1 1 19 19 LEU CB C 13 41.207 0.3 . 1 . . . . 19 LEU CB . 26529 1 76 . 1 1 19 19 LEU N N 15 119.221 0.3 . 1 . . . . 19 LEU N . 26529 1 77 . 1 1 20 20 LEU H H 1 7.729 0.020 . 1 . . . . 20 LEU H . 26529 1 78 . 1 1 20 20 LEU C C 13 179.988 0.3 . 1 . . . . 20 LEU C . 26529 1 79 . 1 1 20 20 LEU CA C 13 58.162 0.3 . 1 . . . . 20 LEU CA . 26529 1 80 . 1 1 20 20 LEU CB C 13 41.355 0.3 . 1 . . . . 20 LEU CB . 26529 1 81 . 1 1 20 20 LEU N N 15 120.512 0.3 . 1 . . . . 20 LEU N . 26529 1 82 . 1 1 21 21 LEU H H 1 7.812 0.020 . 1 . . . . 21 LEU H . 26529 1 83 . 1 1 21 21 LEU CA C 13 58.487 0.3 . 1 . . . . 21 LEU CA . 26529 1 84 . 1 1 21 21 LEU CB C 13 41.355 0.3 . 1 . . . . 21 LEU CB . 26529 1 85 . 1 1 21 21 LEU N N 15 122.538 0.3 . 1 . . . . 21 LEU N . 26529 1 86 . 1 1 22 22 PHE H H 1 8.112 0.020 . 1 . . . . 22 PHE H . 26529 1 87 . 1 1 22 22 PHE CA C 13 60.026 0.3 . 1 . . . . 22 PHE CA . 26529 1 88 . 1 1 22 22 PHE CB C 13 38.204 0.3 . 1 . . . . 22 PHE CB . 26529 1 89 . 1 1 22 22 PHE N N 15 118.052 0.3 . 1 . . . . 22 PHE N . 26529 1 90 . 1 1 23 23 TRP H H 1 8.815 0.020 . 1 . . . . 23 TRP H . 26529 1 91 . 1 1 23 23 TRP C C 13 177.592 0.3 . 1 . . . . 23 TRP C . 26529 1 92 . 1 1 23 23 TRP CA C 13 59.116 0.3 . 1 . . . . 23 TRP CA . 26529 1 93 . 1 1 23 23 TRP CB C 13 29.732 0.3 . 1 . . . . 23 TRP CB . 26529 1 94 . 1 1 23 23 TRP N N 15 120.160 0.3 . 1 . . . . 23 TRP N . 26529 1 95 . 1 1 24 24 THR H H 1 8.307 0.020 . 1 . . . . 24 THR H . 26529 1 96 . 1 1 24 24 THR CA C 13 67.629 0.3 . 1 . . . . 24 THR CA . 26529 1 97 . 1 1 24 24 THR CB C 13 68.674 0.3 . 1 . . . . 24 THR CB . 26529 1 98 . 1 1 24 24 THR N N 15 117.500 0.3 . 1 . . . . 24 THR N . 26529 1 99 . 1 1 25 25 TYR H H 1 7.953 0.020 . 1 . . . . 25 TYR H . 26529 1 100 . 1 1 25 25 TYR C C 13 177.802 0.3 . 1 . . . . 25 TYR C . 26529 1 101 . 1 1 25 25 TYR CA C 13 62.350 0.3 . 1 . . . . 25 TYR CA . 26529 1 102 . 1 1 25 25 TYR CB C 13 37.876 0.3 . 1 . . . . 25 TYR CB . 26529 1 103 . 1 1 25 25 TYR N N 15 121.864 0.3 . 1 . . . . 25 TYR N . 26529 1 104 . 1 1 26 26 ILE H H 1 8.705 0.020 . 1 . . . . 26 ILE H . 26529 1 105 . 1 1 26 26 ILE CA C 13 65.266 0.3 . 1 . . . . 26 ILE CA . 26529 1 106 . 1 1 26 26 ILE CB C 13 37.842 0.3 . 1 . . . . 26 ILE CB . 26529 1 107 . 1 1 26 26 ILE N N 15 121.083 0.3 . 1 . . . . 26 ILE N . 26529 1 108 . 1 1 27 27 GLN H H 1 8.277 0.020 . 1 . . . . 27 GLN H . 26529 1 109 . 1 1 27 27 GLN C C 13 179.046 0.3 . 1 . . . . 27 GLN C . 26529 1 110 . 1 1 27 27 GLN CA C 13 60.157 0.3 . 1 . . . . 27 GLN CA . 26529 1 111 . 1 1 27 27 GLN CB C 13 28.991 0.3 . 1 . . . . 27 GLN CB . 26529 1 112 . 1 1 27 27 GLN N N 15 118.365 0.3 . 1 . . . . 27 GLN N . 26529 1 113 . 1 1 28 28 ALA H H 1 7.474 0.020 . 1 . . . . 28 ALA H . 26529 1 114 . 1 1 28 28 ALA C C 13 180.705 0.3 . 1 . . . . 28 ALA C . 26529 1 115 . 1 1 28 28 ALA CA C 13 55.408 0.3 . 1 . . . . 28 ALA CA . 26529 1 116 . 1 1 28 28 ALA CB C 13 17.442 0.3 . 1 . . . . 28 ALA CB . 26529 1 117 . 1 1 28 28 ALA N N 15 123.823 0.3 . 1 . . . . 28 ALA N . 26529 1 118 . 1 1 29 29 MET H H 1 8.363 0.020 . 1 . . . . 29 MET H . 26529 1 119 . 1 1 29 29 MET C C 13 177.674 0.3 . 1 . . . . 29 MET C . 26529 1 120 . 1 1 29 29 MET CA C 13 56.902 0.3 . 1 . . . . 29 MET CA . 26529 1 121 . 1 1 29 29 MET CB C 13 28.991 0.3 . 1 . . . . 29 MET CB . 26529 1 122 . 1 1 29 29 MET N N 15 121.220 0.3 . 1 . . . . 29 MET N . 26529 1 123 . 1 1 30 30 LEU H H 1 7.916 0.020 . 1 . . . . 30 LEU H . 26529 1 124 . 1 1 30 30 LEU CA C 13 56.970 0.3 . 1 . . . . 30 LEU CA . 26529 1 125 . 1 1 30 30 LEU CB C 13 41.874 0.3 . 1 . . . . 30 LEU CB . 26529 1 126 . 1 1 30 30 LEU N N 15 118.178 0.3 . 1 . . . . 30 LEU N . 26529 1 127 . 1 1 31 31 THR H H 1 8.168 0.020 . 1 . . . . 31 THR H . 26529 1 128 . 1 1 31 31 THR C C 13 178.449 0.3 . 1 . . . . 31 THR C . 26529 1 129 . 1 1 31 31 THR CA C 13 67.220 0.3 . 1 . . . . 31 THR CA . 26529 1 130 . 1 1 31 31 THR CB C 13 68.896 0.3 . 1 . . . . 31 THR CB . 26529 1 131 . 1 1 31 31 THR N N 15 118.903 0.3 . 1 . . . . 31 THR N . 26529 1 132 . 1 1 32 32 ASN H H 1 8.290 0.020 . 1 . . . . 32 ASN H . 26529 1 133 . 1 1 32 32 ASN C C 13 175.183 0.3 . 1 . . . . 32 ASN C . 26529 1 134 . 1 1 32 32 ASN CA C 13 55.029 0.3 . 1 . . . . 32 ASN CA . 26529 1 135 . 1 1 32 32 ASN CB C 13 40.467 0.3 . 1 . . . . 32 ASN CB . 26529 1 136 . 1 1 32 32 ASN N N 15 120.397 0.3 . 1 . . . . 32 ASN N . 26529 1 137 . 1 1 33 33 LEU H H 1 8.398 0.020 . 1 . . . . 33 LEU H . 26529 1 138 . 1 1 33 33 LEU C C 13 177.271 0.3 . 1 . . . . 33 LEU C . 26529 1 139 . 1 1 33 33 LEU CA C 13 54.753 0.3 . 1 . . . . 33 LEU CA . 26529 1 140 . 1 1 33 33 LEU CB C 13 43.132 0.3 . 1 . . . . 33 LEU CB . 26529 1 141 . 1 1 33 33 LEU N N 15 118.441 0.3 . 1 . . . . 33 LEU N . 26529 1 142 . 1 1 34 34 GLU H H 1 7.485 0.020 . 1 . . . . 34 GLU H . 26529 1 143 . 1 1 34 34 GLU C C 13 177.162 0.3 . 1 . . . . 34 GLU C . 26529 1 144 . 1 1 34 34 GLU CA C 13 61.860 0.3 . 1 . . . . 34 GLU CA . 26529 1 145 . 1 1 34 34 GLU CB C 13 29.510 0.3 . 1 . . . . 34 GLU CB . 26529 1 146 . 1 1 34 34 GLU N N 15 115.008 0.3 . 1 . . . . 34 GLU N . 26529 1 147 . 1 1 35 35 SER H H 1 8.367 0.020 . 1 . . . . 35 SER H . 26529 1 148 . 1 1 35 35 SER C C 13 172.748 0.3 . 1 . . . . 35 SER C . 26529 1 149 . 1 1 35 35 SER CA C 13 57.144 0.3 . 1 . . . . 35 SER CA . 26529 1 150 . 1 1 35 35 SER CB C 13 65.787 0.3 . 1 . . . . 35 SER CB . 26529 1 151 . 1 1 35 35 SER N N 15 114.655 0.3 . 1 . . . . 35 SER N . 26529 1 152 . 1 1 36 36 LEU H H 1 8.295 0.020 . 1 . . . . 36 LEU H . 26529 1 153 . 1 1 36 36 LEU C C 13 176.093 0.3 . 1 . . . . 36 LEU C . 26529 1 154 . 1 1 36 36 LEU CA C 13 54.556 0.3 . 1 . . . . 36 LEU CA . 26529 1 155 . 1 1 36 36 LEU CB C 13 49.351 0.3 . 1 . . . . 36 LEU CB . 26529 1 156 . 1 1 36 36 LEU N N 15 120.740 0.3 . 1 . . . . 36 LEU N . 26529 1 157 . 1 1 37 37 SER H H 1 8.221 0.020 . 1 . . . . 37 SER H . 26529 1 158 . 1 1 37 37 SER C C 13 174.679 0.3 . 1 . . . . 37 SER C . 26529 1 159 . 1 1 37 37 SER CA C 13 56.903 0.3 . 1 . . . . 37 SER CA . 26529 1 160 . 1 1 37 37 SER CB C 13 65.269 0.3 . 1 . . . . 37 SER CB . 26529 1 161 . 1 1 37 37 SER N N 15 116.839 0.3 . 1 . . . . 37 SER N . 26529 1 162 . 1 1 38 38 LEU H H 1 9.458 0.020 . 1 . . . . 38 LEU H . 26529 1 163 . 1 1 38 38 LEU C C 13 177.755 0.3 . 1 . . . . 38 LEU C . 26529 1 164 . 1 1 38 38 LEU CA C 13 58.902 0.3 . 1 . . . . 38 LEU CA . 26529 1 165 . 1 1 38 38 LEU CB C 13 41.798 0.3 . 1 . . . . 38 LEU CB . 26529 1 166 . 1 1 38 38 LEU N N 15 121.481 0.3 . 1 . . . . 38 LEU N . 26529 1 167 . 1 1 39 39 ASP H H 1 8.424 0.020 . 1 . . . . 39 ASP H . 26529 1 168 . 1 1 39 39 ASP C C 13 178.432 0.3 . 1 . . . . 39 ASP C . 26529 1 169 . 1 1 39 39 ASP CA C 13 57.413 0.3 . 1 . . . . 39 ASP CA . 26529 1 170 . 1 1 39 39 ASP CB C 13 40.837 0.3 . 1 . . . . 39 ASP CB . 26529 1 171 . 1 1 39 39 ASP N N 15 114.826 0.3 . 1 . . . . 39 ASP N . 26529 1 172 . 1 1 40 40 ARG H H 1 7.555 0.020 . 1 . . . . 40 ARG H . 26529 1 173 . 1 1 40 40 ARG C C 13 179.244 0.3 . 1 . . . . 40 ARG C . 26529 1 174 . 1 1 40 40 ARG CA C 13 59.272 0.3 . 1 . . . . 40 ARG CA . 26529 1 175 . 1 1 40 40 ARG CB C 13 30.324 0.3 . 1 . . . . 40 ARG CB . 26529 1 176 . 1 1 40 40 ARG N N 15 119.139 0.3 . 1 . . . . 40 ARG N . 26529 1 177 . 1 1 41 41 ILE H H 1 8.202 0.020 . 1 . . . . 41 ILE H . 26529 1 178 . 1 1 41 41 ILE C C 13 177.836 0.3 . 1 . . . . 41 ILE C . 26529 1 179 . 1 1 41 41 ILE CA C 13 66.527 0.3 . 1 . . . . 41 ILE CA . 26529 1 180 . 1 1 41 41 ILE CB C 13 37.653 0.3 . 1 . . . . 41 ILE CB . 26529 1 181 . 1 1 41 41 ILE N N 15 120.341 0.3 . 1 . . . . 41 ILE N . 26529 1 182 . 1 1 42 42 TYR H H 1 8.631 0.020 . 1 . . . . 42 TYR H . 26529 1 183 . 1 1 42 42 TYR C C 13 176.915 0.3 . 1 . . . . 42 TYR C . 26529 1 184 . 1 1 42 42 TYR CA C 13 61.738 0.3 . 1 . . . . 42 TYR CA . 26529 1 185 . 1 1 42 42 TYR CB C 13 37.950 0.3 . 1 . . . . 42 TYR CB . 26529 1 186 . 1 1 42 42 TYR N N 15 118.613 0.3 . 1 . . . . 42 TYR N . 26529 1 187 . 1 1 43 43 ASN H H 1 8.161 0.020 . 1 . . . . 43 ASN H . 26529 1 188 . 1 1 43 43 ASN C C 13 178.057 0.3 . 1 . . . . 43 ASN C . 26529 1 189 . 1 1 43 43 ASN CA C 13 56.528 0.3 . 1 . . . . 43 ASN CA . 26529 1 190 . 1 1 43 43 ASN CB C 13 38.468 0.3 . 1 . . . . 43 ASN CB . 26529 1 191 . 1 1 43 43 ASN N N 15 116.192 0.3 . 1 . . . . 43 ASN N . 26529 1 192 . 1 1 44 44 MET H H 1 8.399 0.020 . 1 . . . . 44 MET H . 26529 1 193 . 1 1 44 44 MET C C 13 178.499 0.3 . 1 . . . . 44 MET C . 26529 1 194 . 1 1 44 44 MET CA C 13 59.797 0.3 . 1 . . . . 44 MET CA . 26529 1 195 . 1 1 44 44 MET CB C 13 32.397 0.3 . 1 . . . . 44 MET CB . 26529 1 196 . 1 1 44 44 MET N N 15 118.989 0.3 . 1 . . . . 44 MET N . 26529 1 197 . 1 1 45 45 LEU H H 1 8.189 0.020 . 1 . . . . 45 LEU H . 26529 1 198 . 1 1 45 45 LEU C C 13 178.657 0.3 . 1 . . . . 45 LEU C . 26529 1 199 . 1 1 45 45 LEU CA C 13 58.926 0.3 . 1 . . . . 45 LEU CA . 26529 1 200 . 1 1 45 45 LEU CB C 13 40.300 0.3 . 1 . . . . 45 LEU CB . 26529 1 201 . 1 1 45 45 LEU N N 15 124.524 0.3 . 1 . . . . 45 LEU N . 26529 1 202 . 1 1 46 46 ARG H H 1 8.153 0.020 . 1 . . . . 46 ARG H . 26529 1 203 . 1 1 46 46 ARG C C 13 178.227 0.3 . 1 . . . . 46 ARG C . 26529 1 204 . 1 1 46 46 ARG CA C 13 58.707 0.3 . 1 . . . . 46 ARG CA . 26529 1 205 . 1 1 46 46 ARG CB C 13 28.177 0.3 . 1 . . . . 46 ARG CB . 26529 1 206 . 1 1 46 46 ARG N N 15 119.828 0.3 . 1 . . . . 46 ARG N . 26529 1 207 . 1 1 47 47 MET H H 1 7.458 0.020 . 1 . . . . 47 MET H . 26529 1 208 . 1 1 47 47 MET C C 13 177.838 0.3 . 1 . . . . 47 MET C . 26529 1 209 . 1 1 47 47 MET CA C 13 57.822 0.3 . 1 . . . . 47 MET CA . 26529 1 210 . 1 1 47 47 MET CB C 13 32.767 0.3 . 1 . . . . 47 MET CB . 26529 1 211 . 1 1 47 47 MET N N 15 115.140 0.3 . 1 . . . . 47 MET N . 26529 1 212 . 1 1 48 48 PHE H H 1 7.557 0.020 . 1 . . . . 48 PHE H . 26529 1 213 . 1 1 48 48 PHE CA C 13 57.890 0.3 . 1 . . . . 48 PHE CA . 26529 1 214 . 1 1 48 48 PHE N N 15 113.094 0.3 . 1 . . . . 48 PHE N . 26529 1 215 . 1 1 49 49 VAL H H 1 7.819 0.020 . 1 . . . . 49 VAL H . 26529 1 216 . 1 1 49 49 VAL C C 13 175.319 0.3 . 1 . . . . 49 VAL C . 26529 1 217 . 1 1 49 49 VAL CA C 13 63.713 0.3 . 1 . . . . 49 VAL CA . 26529 1 218 . 1 1 49 49 VAL CB C 13 31.731 0.3 . 1 . . . . 49 VAL CB . 26529 1 219 . 1 1 49 49 VAL N N 15 120.088 0.3 . 1 . . . . 49 VAL N . 26529 1 220 . 1 1 50 50 VAL H H 1 7.676 0.020 . 1 . . . . 50 VAL H . 26529 1 221 . 1 1 50 50 VAL C C 13 175.687 0.3 . 1 . . . . 50 VAL C . 26529 1 222 . 1 1 50 50 VAL CA C 13 62.385 0.3 . 1 . . . . 50 VAL CA . 26529 1 223 . 1 1 50 50 VAL CB C 13 31.657 0.3 . 1 . . . . 50 VAL CB . 26529 1 224 . 1 1 50 50 VAL N N 15 124.157 0.3 . 1 . . . . 50 VAL N . 26529 1 225 . 1 1 51 51 THR H H 1 7.925 0.020 . 1 . . . . 51 THR H . 26529 1 226 . 1 1 51 51 THR C C 13 174.684 0.3 . 1 . . . . 51 THR C . 26529 1 227 . 1 1 51 51 THR CA C 13 61.261 0.3 . 1 . . . . 51 THR CA . 26529 1 228 . 1 1 51 51 THR CB C 13 69.193 0.3 . 1 . . . . 51 THR CB . 26529 1 229 . 1 1 51 51 THR N N 15 116.422 0.3 . 1 . . . . 51 THR N . 26529 1 230 . 1 1 52 52 GLY H H 1 8.082 0.020 . 1 . . . . 52 GLY H . 26529 1 231 . 1 1 52 52 GLY C C 13 171.631 0.3 . 1 . . . . 52 GLY C . 26529 1 232 . 1 1 52 52 GLY CA C 13 45.188 0.3 . 1 . . . . 52 GLY CA . 26529 1 233 . 1 1 52 52 GLY N N 15 110.874 0.3 . 1 . . . . 52 GLY N . 26529 1 234 . 1 1 54 54 ALA H H 1 8.251 0.020 . 1 . . . . 54 ALA H . 26529 1 235 . 1 1 54 54 ALA C C 13 178.695 0.3 . 1 . . . . 54 ALA C . 26529 1 236 . 1 1 54 54 ALA CA C 13 52.816 0.3 . 1 . . . . 54 ALA CA . 26529 1 237 . 1 1 54 54 ALA CB C 13 17.614 0.3 . 1 . . . . 54 ALA CB . 26529 1 238 . 1 1 54 54 ALA N N 15 121.357 0.3 . 1 . . . . 54 ALA N . 26529 1 239 . 1 1 55 55 LEU H H 1 7.738 0.020 . 1 . . . . 55 LEU H . 26529 1 240 . 1 1 55 55 LEU C C 13 177.703 0.3 . 1 . . . . 55 LEU C . 26529 1 241 . 1 1 55 55 LEU CA C 13 55.131 0.3 . 1 . . . . 55 LEU CA . 26529 1 242 . 1 1 55 55 LEU CB C 13 40.911 0.3 . 1 . . . . 55 LEU CB . 26529 1 243 . 1 1 55 55 LEU N N 15 119.619 0.3 . 1 . . . . 55 LEU N . 26529 1 244 . 1 1 56 56 ALA H H 1 7.980 0.020 . 1 . . . . 56 ALA H . 26529 1 245 . 1 1 56 56 ALA C C 13 177.559 0.3 . 1 . . . . 56 ALA C . 26529 1 246 . 1 1 56 56 ALA CA C 13 52.714 0.3 . 1 . . . . 56 ALA CA . 26529 1 247 . 1 1 56 56 ALA CB C 13 19.293 0.3 . 1 . . . . 56 ALA CB . 26529 1 248 . 1 1 56 56 ALA N N 15 124.195 0.3 . 1 . . . . 56 ALA N . 26529 1 249 . 1 1 57 57 GLU H H 1 8.041 0.020 . 1 . . . . 57 GLU H . 26529 1 250 . 1 1 57 57 GLU C C 13 176.076 0.3 . 1 . . . . 57 GLU C . 26529 1 251 . 1 1 57 57 GLU CA C 13 55.949 0.3 . 1 . . . . 57 GLU CA . 26529 1 252 . 1 1 57 57 GLU CB C 13 29.732 0.3 . 1 . . . . 57 GLU CB . 26529 1 253 . 1 1 57 57 GLU N N 15 118.435 0.3 . 1 . . . . 57 GLU N . 26529 1 254 . 1 1 58 58 ILE H H 1 7.789 0.020 . 1 . . . . 58 ILE H . 26529 1 255 . 1 1 58 58 ILE C C 13 174.274 0.3 . 1 . . . . 58 ILE C . 26529 1 256 . 1 1 58 58 ILE CA C 13 60.580 0.3 . 1 . . . . 58 ILE CA . 26529 1 257 . 1 1 58 58 ILE CB C 13 37.653 0.3 . 1 . . . . 58 ILE CB . 26529 1 258 . 1 1 58 58 ILE N N 15 122.551 0.3 . 1 . . . . 58 ILE N . 26529 1 259 . 1 1 59 59 ASP H H 1 8.516 0.020 . 1 . . . . 59 ASP H . 26529 1 260 . 1 1 59 59 ASP C C 13 176.179 0.3 . 1 . . . . 59 ASP C . 26529 1 261 . 1 1 59 59 ASP CA C 13 52.850 0.3 . 1 . . . . 59 ASP CA . 26529 1 262 . 1 1 59 59 ASP CB C 13 42.186 0.3 . 1 . . . . 59 ASP CB . 26529 1 263 . 1 1 59 59 ASP N N 15 128.133 0.3 . 1 . . . . 59 ASP N . 26529 1 264 . 1 1 60 60 LEU H H 1 8.394 0.020 . 1 . . . . 60 LEU H . 26529 1 265 . 1 1 60 60 LEU C C 13 178.429 0.3 . 1 . . . . 60 LEU C . 26529 1 266 . 1 1 60 60 LEU CA C 13 58.976 0.3 . 1 . . . . 60 LEU CA . 26529 1 267 . 1 1 60 60 LEU CB C 13 42.318 0.3 . 1 . . . . 60 LEU CB . 26529 1 268 . 1 1 60 60 LEU N N 15 125.486 0.3 . 1 . . . . 60 LEU N . 26529 1 269 . 1 1 61 61 GLN H H 1 7.995 0.020 . 1 . . . . 61 GLN H . 26529 1 270 . 1 1 61 61 GLN C C 13 179.374 0.3 . 1 . . . . 61 GLN C . 26529 1 271 . 1 1 61 61 GLN CA C 13 59.198 0.3 . 1 . . . . 61 GLN CA . 26529 1 272 . 1 1 61 61 GLN CB C 13 27.881 0.3 . 1 . . . . 61 GLN CB . 26529 1 273 . 1 1 61 61 GLN N N 15 117.389 0.3 . 1 . . . . 61 GLN N . 26529 1 274 . 1 1 62 62 GLU H H 1 8.380 0.020 . 1 . . . . 62 GLU H . 26529 1 275 . 1 1 62 62 GLU C C 13 179.947 0.3 . 1 . . . . 62 GLU C . 26529 1 276 . 1 1 62 62 GLU CA C 13 58.969 0.3 . 1 . . . . 62 GLU CA . 26529 1 277 . 1 1 62 62 GLU CB C 13 28.769 0.3 . 1 . . . . 62 GLU CB . 26529 1 278 . 1 1 62 62 GLU N N 15 123.187 0.3 . 1 . . . . 62 GLU N . 26529 1 279 . 1 1 63 63 LEU H H 1 8.362 0.020 . 1 . . . . 63 LEU H . 26529 1 280 . 1 1 63 63 LEU C C 13 177.934 0.3 . 1 . . . . 63 LEU C . 26529 1 281 . 1 1 63 63 LEU CA C 13 58.013 0.3 . 1 . . . . 63 LEU CA . 26529 1 282 . 1 1 63 63 LEU CB C 13 41.059 0.3 . 1 . . . . 63 LEU CB . 26529 1 283 . 1 1 63 63 LEU N N 15 121.354 0.3 . 1 . . . . 63 LEU N . 26529 1 284 . 1 1 64 64 GLN H H 1 8.635 0.020 . 1 . . . . 64 GLN H . 26529 1 285 . 1 1 64 64 GLN C C 13 178.331 0.3 . 1 . . . . 64 GLN C . 26529 1 286 . 1 1 64 64 GLN CA C 13 60.160 0.3 . 1 . . . . 64 GLN CA . 26529 1 287 . 1 1 64 64 GLN CB C 13 28.547 0.3 . 1 . . . . 64 GLN CB . 26529 1 288 . 1 1 64 64 GLN N N 15 119.491 0.3 . 1 . . . . 64 GLN N . 26529 1 289 . 1 1 65 65 GLY H H 1 8.053 0.020 . 1 . . . . 65 GLY H . 26529 1 290 . 1 1 65 65 GLY C C 13 176.262 0.3 . 1 . . . . 65 GLY C . 26529 1 291 . 1 1 65 65 GLY CA C 13 47.130 0.3 . 1 . . . . 65 GLY CA . 26529 1 292 . 1 1 65 65 GLY N N 15 106.127 0.3 . 1 . . . . 65 GLY N . 26529 1 293 . 1 1 66 66 TYR H H 1 8.065 0.020 . 1 . . . . 66 TYR H . 26529 1 294 . 1 1 66 66 TYR C C 13 178.142 0.3 . 1 . . . . 66 TYR C . 26529 1 295 . 1 1 66 66 TYR CA C 13 61.431 0.3 . 1 . . . . 66 TYR CA . 26529 1 296 . 1 1 66 66 TYR CB C 13 38.320 0.3 . 1 . . . . 66 TYR CB . 26529 1 297 . 1 1 66 66 TYR N N 15 125.244 0.3 . 1 . . . . 66 TYR N . 26529 1 298 . 1 1 67 67 LEU H H 1 8.606 0.020 . 1 . . . . 67 LEU H . 26529 1 299 . 1 1 67 67 LEU C C 13 179.441 0.3 . 1 . . . . 67 LEU C . 26529 1 300 . 1 1 67 67 LEU CA C 13 57.635 0.3 . 1 . . . . 67 LEU CA . 26529 1 301 . 1 1 67 67 LEU CB C 13 39.875 0.3 . 1 . . . . 67 LEU CB . 26529 1 302 . 1 1 67 67 LEU N N 15 118.756 0.3 . 1 . . . . 67 LEU N . 26529 1 303 . 1 1 68 68 GLN H H 1 8.377 0.020 . 1 . . . . 68 GLN H . 26529 1 304 . 1 1 68 68 GLN C C 13 179.143 0.3 . 1 . . . . 68 GLN C . 26529 1 305 . 1 1 68 68 GLN CA C 13 58.945 0.3 . 1 . . . . 68 GLN CA . 26529 1 306 . 1 1 68 68 GLN CB C 13 27.511 0.3 . 1 . . . . 68 GLN CB . 26529 1 307 . 1 1 68 68 GLN N N 15 117.480 0.3 . 1 . . . . 68 GLN N . 26529 1 308 . 1 1 69 69 LYS H H 1 7.589 0.020 . 1 . . . . 69 LYS H . 26529 1 309 . 1 1 69 69 LYS C C 13 178.249 0.3 . 1 . . . . 69 LYS C . 26529 1 310 . 1 1 69 69 LYS CA C 13 59.831 0.3 . 1 . . . . 69 LYS CA . 26529 1 311 . 1 1 69 69 LYS CB C 13 31.212 0.3 . 1 . . . . 69 LYS CB . 26529 1 312 . 1 1 69 69 LYS N N 15 122.777 0.3 . 1 . . . . 69 LYS N . 26529 1 313 . 1 1 70 70 LYS H H 1 7.292 0.020 . 1 . . . . 70 LYS H . 26529 1 314 . 1 1 70 70 LYS C C 13 178.841 0.3 . 1 . . . . 70 LYS C . 26529 1 315 . 1 1 70 70 LYS CA C 13 57.583 0.3 . 1 . . . . 70 LYS CA . 26529 1 316 . 1 1 70 70 LYS CB C 13 31.286 0.3 . 1 . . . . 70 LYS CB . 26529 1 317 . 1 1 70 70 LYS N N 15 117.836 0.3 . 1 . . . . 70 LYS N . 26529 1 318 . 1 1 71 71 VAL H H 1 8.094 0.020 . 1 . . . . 71 VAL H . 26529 1 319 . 1 1 71 71 VAL C C 13 180.911 0.3 . 1 . . . . 71 VAL C . 26529 1 320 . 1 1 71 71 VAL CA C 13 65.143 0.3 . 1 . . . . 71 VAL CA . 26529 1 321 . 1 1 71 71 VAL CB C 13 31.509 0.3 . 1 . . . . 71 VAL CB . 26529 1 322 . 1 1 71 71 VAL N N 15 121.644 0.3 . 1 . . . . 71 VAL N . 26529 1 323 . 1 1 72 72 ARG H H 1 8.121 0.020 . 1 . . . . 72 ARG H . 26529 1 324 . 1 1 72 72 ARG CA C 13 59.716 0.3 . 1 . . . . 72 ARG CA . 26529 1 325 . 1 1 72 72 ARG CB C 13 29.510 0.3 . 1 . . . . 72 ARG CB . 26529 1 326 . 1 1 72 72 ARG N N 15 124.437 0.3 . 1 . . . . 72 ARG N . 26529 1 327 . 1 1 73 73 ASP H H 1 7.951 0.020 . 1 . . . . 73 ASP H . 26529 1 328 . 1 1 73 73 ASP CA C 13 54.682 0.3 . 1 . . . . 73 ASP CA . 26529 1 329 . 1 1 73 73 ASP CB C 13 40.245 0.3 . 1 . . . . 73 ASP CB . 26529 1 330 . 1 1 73 73 ASP N N 15 118.047 0.3 . 1 . . . . 73 ASP N . 26529 1 331 . 1 1 74 74 GLN H H 1 8.152 0.020 . 1 . . . . 74 GLN H . 26529 1 332 . 1 1 74 74 GLN CA C 13 57.421 0.3 . 1 . . . . 74 GLN CA . 26529 1 333 . 1 1 74 74 GLN CB C 13 25.438 0.3 . 1 . . . . 74 GLN CB . 26529 1 334 . 1 1 74 74 GLN N N 15 113.554 0.3 . 1 . . . . 74 GLN N . 26529 1 335 . 1 1 75 75 GLN H H 1 8.369 0.020 . 1 . . . . 75 GLN H . 26529 1 336 . 1 1 75 75 GLN CA C 13 55.644 0.3 . 1 . . . . 75 GLN CA . 26529 1 337 . 1 1 75 75 GLN CB C 13 30.472 0.3 . 1 . . . . 75 GLN CB . 26529 1 338 . 1 1 75 75 GLN N N 15 115.207 0.3 . 1 . . . . 75 GLN N . 26529 1 339 . 1 1 76 76 LEU H H 1 7.319 0.020 . 1 . . . . 76 LEU H . 26529 1 340 . 1 1 76 76 LEU CA C 13 53.423 0.3 . 1 . . . . 76 LEU CA . 26529 1 341 . 1 1 76 76 LEU CB C 13 48.241 0.3 . 1 . . . . 76 LEU CB . 26529 1 342 . 1 1 76 76 LEU N N 15 117.241 0.3 . 1 . . . . 76 LEU N . 26529 1 343 . 1 1 77 77 VAL H H 1 9.072 0.020 . 1 . . . . 77 VAL H . 26529 1 344 . 1 1 77 77 VAL C C 13 173.855 0.3 . 1 . . . . 77 VAL C . 26529 1 345 . 1 1 77 77 VAL CA C 13 61.641 0.3 . 1 . . . . 77 VAL CA . 26529 1 346 . 1 1 77 77 VAL CB C 13 34.618 0.3 . 1 . . . . 77 VAL CB . 26529 1 347 . 1 1 77 77 VAL N N 15 122.876 0.3 . 1 . . . . 77 VAL N . 26529 1 348 . 1 1 78 78 TYR H H 1 8.501 0.020 . 1 . . . . 78 TYR H . 26529 1 349 . 1 1 78 78 TYR C C 13 174.515 0.3 . 1 . . . . 78 TYR C . 26529 1 350 . 1 1 78 78 TYR CA C 13 55.866 0.3 . 1 . . . . 78 TYR CA . 26529 1 351 . 1 1 78 78 TYR CB C 13 41.207 0.3 . 1 . . . . 78 TYR CB . 26529 1 352 . 1 1 78 78 TYR N N 15 126.680 0.3 . 1 . . . . 78 TYR N . 26529 1 353 . 1 1 79 79 SER H H 1 8.064 0.020 . 1 . . . . 79 SER H . 26529 1 354 . 1 1 79 79 SER C C 13 173.761 0.3 . 1 . . . . 79 SER C . 26529 1 355 . 1 1 79 79 SER CA C 13 57.106 0.3 . 1 . . . . 79 SER CA . 26529 1 356 . 1 1 79 79 SER CB C 13 63.936 0.3 . 1 . . . . 79 SER CB . 26529 1 357 . 1 1 79 79 SER N N 15 120.909 0.3 . 1 . . . . 79 SER N . 26529 1 358 . 1 1 81 81 GLY H H 1 7.090 0.020 . 1 . . . . 81 GLY H . 26529 1 359 . 1 1 81 81 GLY C C 13 174.207 0.3 . 1 . . . . 81 GLY C . 26529 1 360 . 1 1 81 81 GLY CA C 13 45.353 0.3 . 1 . . . . 81 GLY CA . 26529 1 361 . 1 1 81 81 GLY N N 15 101.354 0.3 . 1 . . . . 81 GLY N . 26529 1 362 . 1 1 82 82 VAL H H 1 7.342 0.020 . 1 . . . . 82 VAL H . 26529 1 363 . 1 1 82 82 VAL C C 13 173.045 0.3 . 1 . . . . 82 VAL C . 26529 1 364 . 1 1 82 82 VAL CA C 13 59.642 0.3 . 1 . . . . 82 VAL CA . 26529 1 365 . 1 1 82 82 VAL CB C 13 36.173 0.3 . 1 . . . . 82 VAL CB . 26529 1 366 . 1 1 82 82 VAL N N 15 115.360 0.3 . 1 . . . . 82 VAL N . 26529 1 367 . 1 1 83 83 TYR H H 1 8.634 0.020 . 1 . . . . 83 TYR H . 26529 1 368 . 1 1 83 83 TYR C C 13 175.293 0.3 . 1 . . . . 83 TYR C . 26529 1 369 . 1 1 83 83 TYR CA C 13 57.476 0.3 . 1 . . . . 83 TYR CA . 26529 1 370 . 1 1 83 83 TYR CB C 13 40.615 0.3 . 1 . . . . 83 TYR CB . 26529 1 371 . 1 1 83 83 TYR N N 15 120.885 0.3 . 1 . . . . 83 TYR N . 26529 1 372 . 1 1 84 84 ARG H H 1 8.798 0.020 . 1 . . . . 84 ARG H . 26529 1 373 . 1 1 84 84 ARG C C 13 174.931 0.3 . 1 . . . . 84 ARG C . 26529 1 374 . 1 1 84 84 ARG CA C 13 54.723 0.3 . 1 . . . . 84 ARG CA . 26529 1 375 . 1 1 84 84 ARG CB C 13 34.988 0.3 . 1 . . . . 84 ARG CB . 26529 1 376 . 1 1 84 84 ARG N N 15 115.334 0.3 . 1 . . . . 84 ARG N . 26529 1 377 . 1 1 85 85 LEU H H 1 8.967 0.020 . 1 . . . . 85 LEU H . 26529 1 378 . 1 1 85 85 LEU C C 13 175.540 0.3 . 1 . . . . 85 LEU C . 26529 1 379 . 1 1 85 85 LEU CA C 13 53.395 0.3 . 1 . . . . 85 LEU CA . 26529 1 380 . 1 1 85 85 LEU CB C 13 40.393 0.3 . 1 . . . . 85 LEU CB . 26529 1 381 . 1 1 85 85 LEU N N 15 121.308 0.3 . 1 . . . . 85 LEU N . 26529 1 382 . 1 1 87 87 LYS H H 1 8.248 0.020 . 1 . . . . 87 LYS H . 26529 1 383 . 1 1 87 87 LYS CA C 13 56.494 0.3 . 1 . . . . 87 LYS CA . 26529 1 384 . 1 1 87 87 LYS CB C 13 33.359 0.3 . 1 . . . . 87 LYS CB . 26529 1 385 . 1 1 87 87 LYS N N 15 121.182 0.3 . 1 . . . . 87 LYS N . 26529 1 386 . 1 1 88 88 ASN H H 1 8.487 0.020 . 1 . . . . 88 ASN H . 26529 1 387 . 1 1 88 88 ASN CA C 13 53.497 0.3 . 1 . . . . 88 ASN CA . 26529 1 388 . 1 1 88 88 ASN CB C 13 38.764 0.3 . 1 . . . . 88 ASN CB . 26529 1 389 . 1 1 88 88 ASN N N 15 120.831 0.3 . 1 . . . . 88 ASN N . 26529 1 390 . 1 1 89 89 CYS H H 1 8.164 0.020 . 1 . . . . 89 CYS H . 26529 1 391 . 1 1 89 89 CYS CA C 13 58.383 0.3 . 1 . . . . 89 CYS CA . 26529 1 392 . 1 1 89 89 CYS CB C 13 28.473 0.3 . 1 . . . . 89 CYS CB . 26529 1 393 . 1 1 89 89 CYS N N 15 119.325 0.3 . 1 . . . . 89 CYS N . 26529 1 394 . 1 1 90 90 SER H H 1 7.934 0.020 . 1 . . . . 90 SER H . 26529 1 395 . 1 1 90 90 SER CA C 13 60.086 0.3 . 1 . . . . 90 SER CA . 26529 1 396 . 1 1 90 90 SER CB C 13 64.824 0.3 . 1 . . . . 90 SER CB . 26529 1 397 . 1 1 90 90 SER N N 15 123.354 0.3 . 1 . . . . 90 SER N . 26529 1 stop_ save_