data_12035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12035 _Entry.Title ; Backbone assignment for the segmental-labeled acidic region in the DNA-binding domain of Drosophila melanogaster SSRP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-04 _Entry.Accession_date 2019-10-07 _Entry.Last_release_date 2019-10-07 _Entry.Original_release_date 2019-10-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Daisuke Aoki . . . . 12035 2 Jun-ichi Uewaki . . . . 12035 3 Naoya Tochio . . . . 12035 4 Shin-ichi Tate . . . . 12035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 12035 '15N chemical shifts' 80 12035 '1H chemical shifts' 80 12035 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-07-09 . original BMRB . 12035 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 12036 ; Backbone assignment for the segmental-labeled basic region and HMG-box in the DNA-binding domain of Drosophila melanogaster SSRP1 ; 12035 BMRB 12037 ; Backbone assignment for the segmental-labeled acidic region (L24G mutant) in the DNA-binding domain of Drosophila melanogaster SSRP1 ; 12035 BMRB 12038 ; Backbone assignment for the segmental-labeled acidic region in the phosphorylated DNA-binding domain of Drosophila melanogaster SSRP1 ; 12035 BMRB 12039 ; Backbone assignment for the segmental-labeled basic region and HMG-box in the phosphorylated DNA-binding domain of Drosophila melanogaster SSRP1 ; 12035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12035 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32553729 _Citation.DOI 10.1016/j.jmb.2020.06.011 _Citation.Full_citation . _Citation.Title ; Ultrasensitive Change in Nucleosome Binding by Multiple Phosphorylations to the Intrinsically Disordered Region of the Histone Chaperone FACT. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _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 Daisuke Aoki . . . . 12035 1 2 Akinori Awazu . . . . 12035 1 3 Masashi Fujii . . . . 12035 1 4 Jun-ichi Uewaki . . . . 12035 1 5 Manami Hashimoto . . . . 12035 1 6 Naoya Tochio . . . . 12035 1 7 Takashi Umehara . . . . 12035 1 8 Shin-ichi Tate . . . . 12035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12035 _Assembly.ID 1 _Assembly.Name AID _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 'component 1' 1 $AID A . yes native yes no . . . 12035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AID _Entity.Sf_category entity _Entity.Sf_framecode AID _Entity.Entry_ID 12035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AID _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 ; MGYKDVDFGDSDNENEPDAY LARLKAEAREKEEDDDDGDS DEESTDEDFKPNENESDVAE EYDSNVESDSDDDSDASGGG GDSDGACKKKEKKSEKKEKK EKKHKEKERTKKPSKKKKDS GKPKRATTAFMLWLNDTRES IKRENPGIKVTEIAKKGGEM WKELKDKSKWEDAAAKDKQR YHDEMRNYKPEA ; _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 192 _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 . 12035 1 2 2 GLY . 12035 1 3 3 TYR . 12035 1 4 4 LYS . 12035 1 5 5 ASP . 12035 1 6 6 VAL . 12035 1 7 7 ASP . 12035 1 8 8 PHE . 12035 1 9 9 GLY . 12035 1 10 10 ASP . 12035 1 11 11 SER . 12035 1 12 12 ASP . 12035 1 13 13 ASN . 12035 1 14 14 GLU . 12035 1 15 15 ASN . 12035 1 16 16 GLU . 12035 1 17 17 PRO . 12035 1 18 18 ASP . 12035 1 19 19 ALA . 12035 1 20 20 TYR . 12035 1 21 21 LEU . 12035 1 22 22 ALA . 12035 1 23 23 ARG . 12035 1 24 24 LEU . 12035 1 25 25 LYS . 12035 1 26 26 ALA . 12035 1 27 27 GLU . 12035 1 28 28 ALA . 12035 1 29 29 ARG . 12035 1 30 30 GLU . 12035 1 31 31 LYS . 12035 1 32 32 GLU . 12035 1 33 33 GLU . 12035 1 34 34 ASP . 12035 1 35 35 ASP . 12035 1 36 36 ASP . 12035 1 37 37 ASP . 12035 1 38 38 GLY . 12035 1 39 39 ASP . 12035 1 40 40 SER . 12035 1 41 41 ASP . 12035 1 42 42 GLU . 12035 1 43 43 GLU . 12035 1 44 44 SER . 12035 1 45 45 THR . 12035 1 46 46 ASP . 12035 1 47 47 GLU . 12035 1 48 48 ASP . 12035 1 49 49 PHE . 12035 1 50 50 LYS . 12035 1 51 51 PRO . 12035 1 52 52 ASN . 12035 1 53 53 GLU . 12035 1 54 54 ASN . 12035 1 55 55 GLU . 12035 1 56 56 SER . 12035 1 57 57 ASP . 12035 1 58 58 VAL . 12035 1 59 59 ALA . 12035 1 60 60 GLU . 12035 1 61 61 GLU . 12035 1 62 62 TYR . 12035 1 63 63 ASP . 12035 1 64 64 SER . 12035 1 65 65 ASN . 12035 1 66 66 VAL . 12035 1 67 67 GLU . 12035 1 68 68 SER . 12035 1 69 69 ASP . 12035 1 70 70 SER . 12035 1 71 71 ASP . 12035 1 72 72 ASP . 12035 1 73 73 ASP . 12035 1 74 74 SER . 12035 1 75 75 ASP . 12035 1 76 76 ALA . 12035 1 77 77 SER . 12035 1 78 78 GLY . 12035 1 79 79 GLY . 12035 1 80 80 GLY . 12035 1 81 81 GLY . 12035 1 82 82 ASP . 12035 1 83 83 SER . 12035 1 84 84 ASP . 12035 1 85 85 GLY . 12035 1 86 86 ALA . 12035 1 87 87 CYS . 12035 1 88 88 LYS . 12035 1 89 89 LYS . 12035 1 90 90 LYS . 12035 1 91 91 GLU . 12035 1 92 92 LYS . 12035 1 93 93 LYS . 12035 1 94 94 SER . 12035 1 95 95 GLU . 12035 1 96 96 LYS . 12035 1 97 97 LYS . 12035 1 98 98 GLU . 12035 1 99 99 LYS . 12035 1 100 100 LYS . 12035 1 101 101 GLU . 12035 1 102 102 LYS . 12035 1 103 103 LYS . 12035 1 104 104 HIS . 12035 1 105 105 LYS . 12035 1 106 106 GLU . 12035 1 107 107 LYS . 12035 1 108 108 GLU . 12035 1 109 109 ARG . 12035 1 110 110 THR . 12035 1 111 111 LYS . 12035 1 112 112 LYS . 12035 1 113 113 PRO . 12035 1 114 114 SER . 12035 1 115 115 LYS . 12035 1 116 116 LYS . 12035 1 117 117 LYS . 12035 1 118 118 LYS . 12035 1 119 119 ASP . 12035 1 120 120 SER . 12035 1 121 121 GLY . 12035 1 122 122 LYS . 12035 1 123 123 PRO . 12035 1 124 124 LYS . 12035 1 125 125 ARG . 12035 1 126 126 ALA . 12035 1 127 127 THR . 12035 1 128 128 THR . 12035 1 129 129 ALA . 12035 1 130 130 PHE . 12035 1 131 131 MET . 12035 1 132 132 LEU . 12035 1 133 133 TRP . 12035 1 134 134 LEU . 12035 1 135 135 ASN . 12035 1 136 136 ASP . 12035 1 137 137 THR . 12035 1 138 138 ARG . 12035 1 139 139 GLU . 12035 1 140 140 SER . 12035 1 141 141 ILE . 12035 1 142 142 LYS . 12035 1 143 143 ARG . 12035 1 144 144 GLU . 12035 1 145 145 ASN . 12035 1 146 146 PRO . 12035 1 147 147 GLY . 12035 1 148 148 ILE . 12035 1 149 149 LYS . 12035 1 150 150 VAL . 12035 1 151 151 THR . 12035 1 152 152 GLU . 12035 1 153 153 ILE . 12035 1 154 154 ALA . 12035 1 155 155 LYS . 12035 1 156 156 LYS . 12035 1 157 157 GLY . 12035 1 158 158 GLY . 12035 1 159 159 GLU . 12035 1 160 160 MET . 12035 1 161 161 TRP . 12035 1 162 162 LYS . 12035 1 163 163 GLU . 12035 1 164 164 LEU . 12035 1 165 165 LYS . 12035 1 166 166 ASP . 12035 1 167 167 LYS . 12035 1 168 168 SER . 12035 1 169 169 LYS . 12035 1 170 170 TRP . 12035 1 171 171 GLU . 12035 1 172 172 ASP . 12035 1 173 173 ALA . 12035 1 174 174 ALA . 12035 1 175 175 ALA . 12035 1 176 176 LYS . 12035 1 177 177 ASP . 12035 1 178 178 LYS . 12035 1 179 179 GLN . 12035 1 180 180 ARG . 12035 1 181 181 TYR . 12035 1 182 182 HIS . 12035 1 183 183 ASP . 12035 1 184 184 GLU . 12035 1 185 185 MET . 12035 1 186 186 ARG . 12035 1 187 187 ASN . 12035 1 188 188 TYR . 12035 1 189 189 LYS . 12035 1 190 190 PRO . 12035 1 191 191 GLU . 12035 1 192 192 ALA . 12035 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 12035 1 . GLY 2 2 12035 1 . TYR 3 3 12035 1 . LYS 4 4 12035 1 . ASP 5 5 12035 1 . VAL 6 6 12035 1 . ASP 7 7 12035 1 . PHE 8 8 12035 1 . GLY 9 9 12035 1 . ASP 10 10 12035 1 . SER 11 11 12035 1 . ASP 12 12 12035 1 . ASN 13 13 12035 1 . GLU 14 14 12035 1 . ASN 15 15 12035 1 . GLU 16 16 12035 1 . PRO 17 17 12035 1 . ASP 18 18 12035 1 . ALA 19 19 12035 1 . TYR 20 20 12035 1 . LEU 21 21 12035 1 . ALA 22 22 12035 1 . ARG 23 23 12035 1 . LEU 24 24 12035 1 . LYS 25 25 12035 1 . ALA 26 26 12035 1 . GLU 27 27 12035 1 . ALA 28 28 12035 1 . ARG 29 29 12035 1 . GLU 30 30 12035 1 . LYS 31 31 12035 1 . GLU 32 32 12035 1 . GLU 33 33 12035 1 . ASP 34 34 12035 1 . ASP 35 35 12035 1 . ASP 36 36 12035 1 . ASP 37 37 12035 1 . GLY 38 38 12035 1 . ASP 39 39 12035 1 . SER 40 40 12035 1 . ASP 41 41 12035 1 . GLU 42 42 12035 1 . GLU 43 43 12035 1 . SER 44 44 12035 1 . THR 45 45 12035 1 . ASP 46 46 12035 1 . GLU 47 47 12035 1 . ASP 48 48 12035 1 . PHE 49 49 12035 1 . LYS 50 50 12035 1 . PRO 51 51 12035 1 . ASN 52 52 12035 1 . GLU 53 53 12035 1 . ASN 54 54 12035 1 . GLU 55 55 12035 1 . SER 56 56 12035 1 . ASP 57 57 12035 1 . VAL 58 58 12035 1 . ALA 59 59 12035 1 . GLU 60 60 12035 1 . GLU 61 61 12035 1 . TYR 62 62 12035 1 . ASP 63 63 12035 1 . SER 64 64 12035 1 . ASN 65 65 12035 1 . VAL 66 66 12035 1 . GLU 67 67 12035 1 . SER 68 68 12035 1 . ASP 69 69 12035 1 . SER 70 70 12035 1 . ASP 71 71 12035 1 . ASP 72 72 12035 1 . ASP 73 73 12035 1 . SER 74 74 12035 1 . ASP 75 75 12035 1 . ALA 76 76 12035 1 . SER 77 77 12035 1 . GLY 78 78 12035 1 . GLY 79 79 12035 1 . GLY 80 80 12035 1 . GLY 81 81 12035 1 . ASP 82 82 12035 1 . SER 83 83 12035 1 . ASP 84 84 12035 1 . GLY 85 85 12035 1 . ALA 86 86 12035 1 . CYS 87 87 12035 1 . LYS 88 88 12035 1 . LYS 89 89 12035 1 . LYS 90 90 12035 1 . GLU 91 91 12035 1 . LYS 92 92 12035 1 . LYS 93 93 12035 1 . SER 94 94 12035 1 . GLU 95 95 12035 1 . LYS 96 96 12035 1 . LYS 97 97 12035 1 . GLU 98 98 12035 1 . LYS 99 99 12035 1 . LYS 100 100 12035 1 . GLU 101 101 12035 1 . LYS 102 102 12035 1 . LYS 103 103 12035 1 . HIS 104 104 12035 1 . LYS 105 105 12035 1 . GLU 106 106 12035 1 . LYS 107 107 12035 1 . GLU 108 108 12035 1 . ARG 109 109 12035 1 . THR 110 110 12035 1 . LYS 111 111 12035 1 . LYS 112 112 12035 1 . PRO 113 113 12035 1 . SER 114 114 12035 1 . LYS 115 115 12035 1 . LYS 116 116 12035 1 . LYS 117 117 12035 1 . LYS 118 118 12035 1 . ASP 119 119 12035 1 . SER 120 120 12035 1 . GLY 121 121 12035 1 . LYS 122 122 12035 1 . PRO 123 123 12035 1 . LYS 124 124 12035 1 . ARG 125 125 12035 1 . ALA 126 126 12035 1 . THR 127 127 12035 1 . THR 128 128 12035 1 . ALA 129 129 12035 1 . PHE 130 130 12035 1 . MET 131 131 12035 1 . LEU 132 132 12035 1 . TRP 133 133 12035 1 . LEU 134 134 12035 1 . ASN 135 135 12035 1 . ASP 136 136 12035 1 . THR 137 137 12035 1 . ARG 138 138 12035 1 . GLU 139 139 12035 1 . SER 140 140 12035 1 . ILE 141 141 12035 1 . LYS 142 142 12035 1 . ARG 143 143 12035 1 . GLU 144 144 12035 1 . ASN 145 145 12035 1 . PRO 146 146 12035 1 . GLY 147 147 12035 1 . ILE 148 148 12035 1 . LYS 149 149 12035 1 . VAL 150 150 12035 1 . THR 151 151 12035 1 . GLU 152 152 12035 1 . ILE 153 153 12035 1 . ALA 154 154 12035 1 . LYS 155 155 12035 1 . LYS 156 156 12035 1 . GLY 157 157 12035 1 . GLY 158 158 12035 1 . GLU 159 159 12035 1 . MET 160 160 12035 1 . TRP 161 161 12035 1 . LYS 162 162 12035 1 . GLU 163 163 12035 1 . LEU 164 164 12035 1 . LYS 165 165 12035 1 . ASP 166 166 12035 1 . LYS 167 167 12035 1 . SER 168 168 12035 1 . LYS 169 169 12035 1 . TRP 170 170 12035 1 . GLU 171 171 12035 1 . ASP 172 172 12035 1 . ALA 173 173 12035 1 . ALA 174 174 12035 1 . ALA 175 175 12035 1 . LYS 176 176 12035 1 . ASP 177 177 12035 1 . LYS 178 178 12035 1 . GLN 179 179 12035 1 . ARG 180 180 12035 1 . TYR 181 181 12035 1 . HIS 182 182 12035 1 . ASP 183 183 12035 1 . GLU 184 184 12035 1 . MET 185 185 12035 1 . ARG 186 186 12035 1 . ASN 187 187 12035 1 . TYR 188 188 12035 1 . LYS 189 189 12035 1 . PRO 190 190 12035 1 . GLU 191 191 12035 1 . ALA 192 192 12035 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 12035 _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 $AID . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila . . . . . . . . . . . . . . 12035 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 12035 _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 $AID . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pTWIN1-Chis2 and pET28a' . . . 12035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12035 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '94% H2O/6% 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 AID '[U-13C; U-15N]' 1 $assembly 1 $AID . protein 0.44 . . mM . . . . 12035 1 2 TRIS 'natural abundance' . . . . . buffer 50 . . mM . . . . 12035 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 12035 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 12035 1 5 D2O [U-2H] . . . . . solvent 6 . . % . . . . 12035 1 6 H2O 'natural abundance' . . . . . solvent 94 . . % . . . . 12035 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 12035 _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' 50 . mM 12035 1 pH 6.6 . pH 12035 1 pressure 1 . atm 12035 1 temperature 300 . K 12035 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 12035 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 12035 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 12035 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 12035 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 12035 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 12035 2 stop_ save_ save_Magro _Software.Sf_category software _Software.Sf_framecode Magro _Software.Entry_ID 12035 _Software.ID 3 _Software.Type . _Software.Name Magro _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N' . . 12035 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 12035 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 12035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _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 12035 _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 NMR_spectrometer_1 Bruker Avance . 700 . . . 12035 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 12035 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12035 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 12035 _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 water protons . . . . ppm 4.767 internal indirect 0.251449530 . . . . . 12035 1 H 1 water protons . . . . ppm 4.767 internal direct 1 . . . . . 12035 1 N 15 water protons . . . . ppm 4.767 internal indirect 0.101329118 . . . . . 12035 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 12035 _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' 1 $sample_1 isotropic 12035 1 2 '3D HNCO' 1 $sample_1 isotropic 12035 1 3 '3D HN(CA)CO' 1 $sample_1 isotropic 12035 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 12035 1 5 '3D HNCA' 1 $sample_1 isotropic 12035 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12035 1 7 '3D HNCACB' 1 $sample_1 isotropic 12035 1 8 '3D C(CO)NH' 1 $sample_1 isotropic 12035 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 2 2 GLY H H 1 8.472 0.030 . 1 . . . . . 2 GLY H . 12035 1 2 . 1 . 1 2 2 GLY C C 13 173.953 0.300 . 1 . . . . . 2 GLY C . 12035 1 3 . 1 . 1 2 2 GLY CA C 13 44.925 0.300 . 1 . . . . . 2 GLY CA . 12035 1 4 . 1 . 1 2 2 GLY N N 15 110.375 0.300 . 1 . . . . . 2 GLY N . 12035 1 5 . 1 . 1 3 3 TYR H H 1 8.104 0.030 . 1 . . . . . 3 TYR H . 12035 1 6 . 1 . 1 3 3 TYR C C 13 175.690 0.300 . 1 . . . . . 3 TYR C . 12035 1 7 . 1 . 1 3 3 TYR CA C 13 58.156 0.300 . 1 . . . . . 3 TYR CA . 12035 1 8 . 1 . 1 3 3 TYR CB C 13 38.824 0.300 . 1 . . . . . 3 TYR CB . 12035 1 9 . 1 . 1 3 3 TYR N N 15 120.392 0.300 . 1 . . . . . 3 TYR N . 12035 1 10 . 1 . 1 4 4 LYS H H 1 8.123 0.030 . 1 . . . . . 4 LYS H . 12035 1 11 . 1 . 1 4 4 LYS C C 13 175.702 0.300 . 1 . . . . . 4 LYS C . 12035 1 12 . 1 . 1 4 4 LYS CA C 13 56.151 0.300 . 1 . . . . . 4 LYS CA . 12035 1 13 . 1 . 1 4 4 LYS CB C 13 33.045 0.300 . 1 . . . . . 4 LYS CB . 12035 1 14 . 1 . 1 4 4 LYS N N 15 123.471 0.300 . 1 . . . . . 4 LYS N . 12035 1 15 . 1 . 1 5 5 ASP H H 1 8.179 0.030 . 1 . . . . . 5 ASP H . 12035 1 16 . 1 . 1 5 5 ASP C C 13 176.162 0.300 . 1 . . . . . 5 ASP C . 12035 1 17 . 1 . 1 5 5 ASP CA C 13 54.692 0.300 . 1 . . . . . 5 ASP CA . 12035 1 18 . 1 . 1 5 5 ASP CB C 13 41.413 0.300 . 1 . . . . . 5 ASP CB . 12035 1 19 . 1 . 1 5 5 ASP N N 15 121.235 0.300 . 1 . . . . . 5 ASP N . 12035 1 20 . 1 . 1 6 6 VAL H H 1 7.939 0.030 . 1 . . . . . 6 VAL H . 12035 1 21 . 1 . 1 6 6 VAL C C 13 175.424 0.300 . 1 . . . . . 6 VAL C . 12035 1 22 . 1 . 1 6 6 VAL CA C 13 62.194 0.300 . 1 . . . . . 6 VAL CA . 12035 1 23 . 1 . 1 6 6 VAL CB C 13 32.957 0.300 . 1 . . . . . 6 VAL CB . 12035 1 24 . 1 . 1 6 6 VAL N N 15 118.763 0.300 . 1 . . . . . 6 VAL N . 12035 1 25 . 1 . 1 7 7 ASP H H 1 8.250 0.030 . 1 . . . . . 7 ASP H . 12035 1 26 . 1 . 1 7 7 ASP C C 13 175.966 0.300 . 1 . . . . . 7 ASP C . 12035 1 27 . 1 . 1 7 7 ASP CA C 13 54.177 0.300 . 1 . . . . . 7 ASP CA . 12035 1 28 . 1 . 1 7 7 ASP CB C 13 41.413 0.300 . 1 . . . . . 7 ASP CB . 12035 1 29 . 1 . 1 7 7 ASP N N 15 123.046 0.300 . 1 . . . . . 7 ASP N . 12035 1 30 . 1 . 1 8 8 PHE H H 1 8.176 0.030 . 1 . . . . . 8 PHE H . 12035 1 31 . 1 . 1 8 8 PHE C C 13 176.291 0.300 . 1 . . . . . 8 PHE C . 12035 1 32 . 1 . 1 8 8 PHE CA C 13 58.065 0.300 . 1 . . . . . 8 PHE CA . 12035 1 33 . 1 . 1 8 8 PHE CB C 13 39.386 0.300 . 1 . . . . . 8 PHE CB . 12035 1 34 . 1 . 1 8 8 PHE N N 15 121.075 0.300 . 1 . . . . . 8 PHE N . 12035 1 35 . 1 . 1 9 9 GLY H H 1 8.385 0.030 . 1 . . . . . 9 GLY H . 12035 1 36 . 1 . 1 9 9 GLY C C 13 174.013 0.300 . 1 . . . . . 9 GLY C . 12035 1 37 . 1 . 1 9 9 GLY CA C 13 45.588 0.300 . 1 . . . . . 9 GLY CA . 12035 1 38 . 1 . 1 9 9 GLY N N 15 110.091 0.300 . 1 . . . . . 9 GLY N . 12035 1 39 . 1 . 1 10 10 ASP H H 1 8.281 0.030 . 1 . . . . . 10 ASP H . 12035 1 40 . 1 . 1 10 10 ASP C C 13 176.309 0.300 . 1 . . . . . 10 ASP C . 12035 1 41 . 1 . 1 10 10 ASP CA C 13 54.418 0.300 . 1 . . . . . 10 ASP CA . 12035 1 42 . 1 . 1 10 10 ASP CB C 13 41.456 0.300 . 1 . . . . . 10 ASP CB . 12035 1 43 . 1 . 1 10 10 ASP N N 15 120.534 0.300 . 1 . . . . . 10 ASP N . 12035 1 44 . 1 . 1 11 11 SER H H 1 8.250 0.030 . 1 . . . . . 11 SER H . 12035 1 45 . 1 . 1 11 11 SER C C 13 174.397 0.300 . 1 . . . . . 11 SER C . 12035 1 46 . 1 . 1 11 11 SER CA C 13 58.614 0.300 . 1 . . . . . 11 SER CA . 12035 1 47 . 1 . 1 11 11 SER CB C 13 63.889 0.300 . 1 . . . . . 11 SER CB . 12035 1 48 . 1 . 1 11 11 SER N N 15 115.745 0.300 . 1 . . . . . 11 SER N . 12035 1 49 . 1 . 1 12 12 ASP H H 1 8.401 0.030 . 1 . . . . . 12 ASP H . 12035 1 50 . 1 . 1 12 12 ASP C C 13 176.075 0.300 . 1 . . . . . 12 ASP C . 12035 1 51 . 1 . 1 12 12 ASP CA C 13 54.656 0.300 . 1 . . . . . 12 ASP CA . 12035 1 52 . 1 . 1 12 12 ASP CB C 13 41.111 0.300 . 1 . . . . . 12 ASP CB . 12035 1 53 . 1 . 1 12 12 ASP N N 15 122.110 0.300 . 1 . . . . . 12 ASP N . 12035 1 54 . 1 . 1 13 13 ASN H H 1 8.275 0.030 . 1 . . . . . 13 ASN H . 12035 1 55 . 1 . 1 13 13 ASN C C 13 175.446 0.300 . 1 . . . . . 13 ASN C . 12035 1 56 . 1 . 1 13 13 ASN CA C 13 53.587 0.300 . 1 . . . . . 13 ASN CA . 12035 1 57 . 1 . 1 13 13 ASN CB C 13 39.084 0.300 . 1 . . . . . 13 ASN CB . 12035 1 58 . 1 . 1 13 13 ASN N N 15 118.649 0.300 . 1 . . . . . 13 ASN N . 12035 1 59 . 1 . 1 14 14 GLU H H 1 8.411 0.030 . 1 . . . . . 14 GLU H . 12035 1 60 . 1 . 1 14 14 GLU C C 13 176.249 0.300 . 1 . . . . . 14 GLU C . 12035 1 61 . 1 . 1 14 14 GLU CA C 13 57.107 0.300 . 1 . . . . . 14 GLU CA . 12035 1 62 . 1 . 1 14 14 GLU CB C 13 30.110 0.300 . 1 . . . . . 14 GLU CB . 12035 1 63 . 1 . 1 14 14 GLU N N 15 120.826 0.300 . 1 . . . . . 14 GLU N . 12035 1 64 . 1 . 1 15 15 ASN H H 1 8.344 0.030 . 1 . . . . . 15 ASN H . 12035 1 65 . 1 . 1 15 15 ASN C C 13 174.899 0.300 . 1 . . . . . 15 ASN C . 12035 1 66 . 1 . 1 15 15 ASN CA C 13 53.333 0.300 . 1 . . . . . 15 ASN CA . 12035 1 67 . 1 . 1 15 15 ASN CB C 13 39.213 0.300 . 1 . . . . . 15 ASN CB . 12035 1 68 . 1 . 1 15 15 ASN N N 15 118.507 0.300 . 1 . . . . . 15 ASN N . 12035 1 69 . 1 . 1 16 16 GLU H H 1 8.194 0.030 . 1 . . . . . 16 GLU H . 12035 1 70 . 1 . 1 16 16 GLU C C 13 174.782 0.300 . 1 . . . . . 16 GLU C . 12035 1 71 . 1 . 1 16 16 GLU CA C 13 54.875 0.300 . 1 . . . . . 16 GLU CA . 12035 1 72 . 1 . 1 16 16 GLU CB C 13 29.765 0.300 . 1 . . . . . 16 GLU CB . 12035 1 73 . 1 . 1 16 16 GLU N N 15 122.014 0.300 . 1 . . . . . 16 GLU N . 12035 1 74 . 1 . 1 17 17 PRO C C 13 177.386 0.300 . 1 . . . . . 17 PRO C . 12035 1 75 . 1 . 1 17 17 PRO CA C 13 64.231 0.300 . 1 . . . . . 17 PRO CA . 12035 1 76 . 1 . 1 17 17 PRO CB C 13 31.836 0.300 . 1 . . . . . 17 PRO CB . 12035 1 77 . 1 . 1 18 18 ASP H H 1 8.404 0.030 . 1 . . . . . 18 ASP H . 12035 1 78 . 1 . 1 18 18 ASP C C 13 177.233 0.300 . 1 . . . . . 18 ASP C . 12035 1 79 . 1 . 1 18 18 ASP CA C 13 55.172 0.300 . 1 . . . . . 18 ASP CA . 12035 1 80 . 1 . 1 18 18 ASP CB C 13 41.068 0.300 . 1 . . . . . 18 ASP CB . 12035 1 81 . 1 . 1 18 18 ASP N N 15 119.097 0.300 . 1 . . . . . 18 ASP N . 12035 1 82 . 1 . 1 19 19 ALA H H 1 8.231 0.030 . 1 . . . . . 19 ALA H . 12035 1 83 . 1 . 1 19 19 ALA C C 13 179.294 0.300 . 1 . . . . . 19 ALA C . 12035 1 84 . 1 . 1 19 19 ALA CA C 13 54.324 0.300 . 1 . . . . . 19 ALA CA . 12035 1 85 . 1 . 1 19 19 ALA CB C 13 19.152 0.300 . 1 . . . . . 19 ALA CB . 12035 1 86 . 1 . 1 19 19 ALA N N 15 125.111 0.300 . 1 . . . . . 19 ALA N . 12035 1 87 . 1 . 1 20 20 TYR H H 1 8.180 0.030 . 1 . . . . . 20 TYR H . 12035 1 88 . 1 . 1 20 20 TYR C C 13 177.020 0.300 . 1 . . . . . 20 TYR C . 12035 1 89 . 1 . 1 20 20 TYR CA C 13 60.111 0.300 . 1 . . . . . 20 TYR CA . 12035 1 90 . 1 . 1 20 20 TYR CB C 13 38.005 0.300 . 1 . . . . . 20 TYR CB . 12035 1 91 . 1 . 1 20 20 TYR N N 15 119.138 0.300 . 1 . . . . . 20 TYR N . 12035 1 92 . 1 . 1 21 21 LEU H H 1 7.872 0.030 . 1 . . . . . 21 LEU H . 12035 1 93 . 1 . 1 21 21 LEU C C 13 178.788 0.300 . 1 . . . . . 21 LEU C . 12035 1 94 . 1 . 1 21 21 LEU CA C 13 56.978 0.300 . 1 . . . . . 21 LEU CA . 12035 1 95 . 1 . 1 21 21 LEU CB C 13 41.600 0.300 . 1 . . . . . 21 LEU CB . 12035 1 96 . 1 . 1 21 21 LEU N N 15 120.495 0.300 . 1 . . . . . 21 LEU N . 12035 1 97 . 1 . 1 22 22 ALA H H 1 7.987 0.030 . 1 . . . . . 22 ALA H . 12035 1 98 . 1 . 1 22 22 ALA C C 13 179.716 0.300 . 1 . . . . . 22 ALA C . 12035 1 99 . 1 . 1 22 22 ALA CA C 13 54.361 0.300 . 1 . . . . . 22 ALA CA . 12035 1 100 . 1 . 1 22 22 ALA CB C 13 18.462 0.300 . 1 . . . . . 22 ALA CB . 12035 1 101 . 1 . 1 22 22 ALA N N 15 121.549 0.300 . 1 . . . . . 22 ALA N . 12035 1 102 . 1 . 1 23 23 ARG H H 1 7.815 0.030 . 1 . . . . . 23 ARG H . 12035 1 103 . 1 . 1 23 23 ARG C C 13 177.692 0.300 . 1 . . . . . 23 ARG C . 12035 1 104 . 1 . 1 23 23 ARG CA C 13 58.047 0.300 . 1 . . . . . 23 ARG CA . 12035 1 105 . 1 . 1 23 23 ARG CB C 13 29.981 0.300 . 1 . . . . . 23 ARG CB . 12035 1 106 . 1 . 1 23 23 ARG N N 15 119.323 0.300 . 1 . . . . . 23 ARG N . 12035 1 107 . 1 . 1 24 24 LEU H H 1 7.850 0.030 . 1 . . . . . 24 LEU H . 12035 1 108 . 1 . 1 24 24 LEU C C 13 179.162 0.300 . 1 . . . . . 24 LEU C . 12035 1 109 . 1 . 1 24 24 LEU CA C 13 56.830 0.300 . 1 . . . . . 24 LEU CA . 12035 1 110 . 1 . 1 24 24 LEU CB C 13 41.513 0.300 . 1 . . . . . 24 LEU CB . 12035 1 111 . 1 . 1 24 24 LEU N N 15 120.734 0.300 . 1 . . . . . 24 LEU N . 12035 1 112 . 1 . 1 25 25 LYS H H 1 7.999 0.030 . 1 . . . . . 25 LYS H . 12035 1 113 . 1 . 1 25 25 LYS C C 13 177.651 0.300 . 1 . . . . . 25 LYS C . 12035 1 114 . 1 . 1 25 25 LYS CA C 13 57.844 0.300 . 1 . . . . . 25 LYS CA . 12035 1 115 . 1 . 1 25 25 LYS CB C 13 32.699 0.300 . 1 . . . . . 25 LYS CB . 12035 1 116 . 1 . 1 25 25 LYS N N 15 119.867 0.300 . 1 . . . . . 25 LYS N . 12035 1 117 . 1 . 1 26 26 ALA H H 1 7.937 0.030 . 1 . . . . . 26 ALA H . 12035 1 118 . 1 . 1 26 26 ALA C C 13 178.971 0.300 . 1 . . . . . 26 ALA C . 12035 1 119 . 1 . 1 26 26 ALA CA C 13 53.771 0.300 . 1 . . . . . 26 ALA CA . 12035 1 120 . 1 . 1 26 26 ALA CB C 13 18.980 0.300 . 1 . . . . . 26 ALA CB . 12035 1 121 . 1 . 1 26 26 ALA N N 15 123.246 0.300 . 1 . . . . . 26 ALA N . 12035 1 122 . 1 . 1 27 27 GLU H H 1 8.208 0.030 . 1 . . . . . 27 GLU H . 12035 1 123 . 1 . 1 27 27 GLU C C 13 177.060 0.300 . 1 . . . . . 27 GLU C . 12035 1 124 . 1 . 1 27 27 GLU CA C 13 57.439 0.300 . 1 . . . . . 27 GLU CA . 12035 1 125 . 1 . 1 27 27 GLU CB C 13 30.024 0.300 . 1 . . . . . 27 GLU CB . 12035 1 126 . 1 . 1 27 27 GLU N N 15 118.807 0.300 . 1 . . . . . 27 GLU N . 12035 1 127 . 1 . 1 28 28 ALA H H 1 7.956 0.030 . 1 . . . . . 28 ALA H . 12035 1 128 . 1 . 1 28 28 ALA C C 13 178.109 0.300 . 1 . . . . . 28 ALA C . 12035 1 129 . 1 . 1 28 28 ALA CA C 13 53.145 0.300 . 1 . . . . . 28 ALA CA . 12035 1 130 . 1 . 1 28 28 ALA CB C 13 19.023 0.300 . 1 . . . . . 28 ALA CB . 12035 1 131 . 1 . 1 28 28 ALA N N 15 123.333 0.300 . 1 . . . . . 28 ALA N . 12035 1 132 . 1 . 1 29 29 ARG H H 1 8.021 0.030 . 1 . . . . . 29 ARG H . 12035 1 133 . 1 . 1 29 29 ARG C C 13 176.673 0.300 . 1 . . . . . 29 ARG C . 12035 1 134 . 1 . 1 29 29 ARG CA C 13 56.720 0.300 . 1 . . . . . 29 ARG CA . 12035 1 135 . 1 . 1 29 29 ARG CB C 13 30.646 0.300 . 1 . . . . . 29 ARG CB . 12035 1 136 . 1 . 1 29 29 ARG N N 15 119.470 0.300 . 1 . . . . . 29 ARG N . 12035 1 137 . 1 . 1 30 30 GLU H H 1 8.425 0.030 . 1 . . . . . 30 GLU H . 12035 1 138 . 1 . 1 30 30 GLU C C 13 176.569 0.300 . 1 . . . . . 30 GLU C . 12035 1 139 . 1 . 1 30 30 GLU CA C 13 56.959 0.300 . 1 . . . . . 30 GLU CA . 12035 1 140 . 1 . 1 30 30 GLU CB C 13 30.369 0.300 . 1 . . . . . 30 GLU CB . 12035 1 141 . 1 . 1 30 30 GLU N N 15 121.709 0.300 . 1 . . . . . 30 GLU N . 12035 1 142 . 1 . 1 31 31 LYS H H 1 8.138 0.030 . 1 . . . . . 31 LYS H . 12035 1 143 . 1 . 1 31 31 LYS C C 13 176.447 0.300 . 1 . . . . . 31 LYS C . 12035 1 144 . 1 . 1 31 31 LYS CA C 13 56.406 0.300 . 1 . . . . . 31 LYS CA . 12035 1 145 . 1 . 1 31 31 LYS CB C 13 33.173 0.300 . 1 . . . . . 31 LYS CB . 12035 1 146 . 1 . 1 31 31 LYS N N 15 121.025 0.300 . 1 . . . . . 31 LYS N . 12035 1 147 . 1 . 1 32 32 GLU H H 1 8.546 0.030 . 1 . . . . . 32 GLU H . 12035 1 148 . 1 . 1 32 32 GLU C C 13 176.524 0.300 . 1 . . . . . 32 GLU C . 12035 1 149 . 1 . 1 32 32 GLU CA C 13 56.720 0.300 . 1 . . . . . 32 GLU CA . 12035 1 150 . 1 . 1 32 32 GLU CB C 13 30.326 0.300 . 1 . . . . . 32 GLU CB . 12035 1 151 . 1 . 1 32 32 GLU N N 15 122.503 0.300 . 1 . . . . . 32 GLU N . 12035 1 152 . 1 . 1 33 33 GLU H H 1 8.367 0.030 . 1 . . . . . 33 GLU H . 12035 1 153 . 1 . 1 33 33 GLU C C 13 176.208 0.300 . 1 . . . . . 33 GLU C . 12035 1 154 . 1 . 1 33 33 GLU CA C 13 56.867 0.300 . 1 . . . . . 33 GLU CA . 12035 1 155 . 1 . 1 33 33 GLU CB C 13 30.369 0.300 . 1 . . . . . 33 GLU CB . 12035 1 156 . 1 . 1 33 33 GLU N N 15 121.071 0.300 . 1 . . . . . 33 GLU N . 12035 1 157 . 1 . 1 35 35 ASP C C 13 176.807 0.300 . 1 . . . . . 35 ASP C . 12035 1 158 . 1 . 1 35 35 ASP CA C 13 56.609 0.300 . 1 . . . . . 35 ASP CA . 12035 1 159 . 1 . 1 35 35 ASP CB C 13 41.327 0.300 . 1 . . . . . 35 ASP CB . 12035 1 160 . 1 . 1 36 36 ASP H H 1 8.304 0.030 . 1 . . . . . 36 ASP H . 12035 1 161 . 1 . 1 36 36 ASP C C 13 176.136 0.300 . 1 . . . . . 36 ASP C . 12035 1 162 . 1 . 1 36 36 ASP CA C 13 54.377 0.300 . 1 . . . . . 36 ASP CA . 12035 1 163 . 1 . 1 36 36 ASP CB C 13 41.413 0.300 . 1 . . . . . 36 ASP CB . 12035 1 164 . 1 . 1 36 36 ASP N N 15 121.220 0.300 . 1 . . . . . 36 ASP N . 12035 1 165 . 1 . 1 37 37 ASP H H 1 8.338 0.030 . 1 . . . . . 37 ASP H . 12035 1 166 . 1 . 1 37 37 ASP C C 13 176.807 0.300 . 1 . . . . . 37 ASP C . 12035 1 167 . 1 . 1 37 37 ASP CA C 13 54.492 0.300 . 1 . . . . . 37 ASP CA . 12035 1 168 . 1 . 1 37 37 ASP CB C 13 41.326 0.300 . 1 . . . . . 37 ASP CB . 12035 1 169 . 1 . 1 37 37 ASP N N 15 121.350 0.300 . 1 . . . . . 37 ASP N . 12035 1 170 . 1 . 1 38 38 GLY H H 1 8.379 0.030 . 1 . . . . . 38 GLY H . 12035 1 171 . 1 . 1 38 38 GLY C C 13 174.021 0.300 . 1 . . . . . 38 GLY C . 12035 1 172 . 1 . 1 38 38 GLY CA C 13 45.509 0.300 . 1 . . . . . 38 GLY CA . 12035 1 173 . 1 . 1 38 38 GLY N N 15 108.982 0.300 . 1 . . . . . 38 GLY N . 12035 1 174 . 1 . 1 39 39 ASP H H 1 8.206 0.030 . 1 . . . . . 39 ASP H . 12035 1 175 . 1 . 1 39 39 ASP C C 13 176.495 0.300 . 1 . . . . . 39 ASP C . 12035 1 176 . 1 . 1 39 39 ASP CA C 13 54.361 0.300 . 1 . . . . . 39 ASP CA . 12035 1 177 . 1 . 1 39 39 ASP CB C 13 41.413 0.300 . 1 . . . . . 39 ASP CB . 12035 1 178 . 1 . 1 39 39 ASP N N 15 120.539 0.300 . 1 . . . . . 39 ASP N . 12035 1 179 . 1 . 1 40 40 SER H H 1 8.316 0.030 . 1 . . . . . 40 SER H . 12035 1 180 . 1 . 1 40 40 SER C C 13 174.454 0.300 . 1 . . . . . 40 SER C . 12035 1 181 . 1 . 1 40 40 SER CA C 13 58.499 0.300 . 1 . . . . . 40 SER CA . 12035 1 182 . 1 . 1 40 40 SER CB C 13 63.932 0.300 . 1 . . . . . 40 SER CB . 12035 1 183 . 1 . 1 40 40 SER N N 15 116.038 0.300 . 1 . . . . . 40 SER N . 12035 1 184 . 1 . 1 41 41 ASP H H 1 8.430 0.030 . 1 . . . . . 41 ASP H . 12035 1 185 . 1 . 1 41 41 ASP C C 13 176.147 0.300 . 1 . . . . . 41 ASP C . 12035 1 186 . 1 . 1 41 41 ASP CA C 13 54.471 0.300 . 1 . . . . . 41 ASP CA . 12035 1 187 . 1 . 1 41 41 ASP CB C 13 41.413 0.300 . 1 . . . . . 41 ASP CB . 12035 1 188 . 1 . 1 41 41 ASP N N 15 122.688 0.300 . 1 . . . . . 41 ASP N . 12035 1 189 . 1 . 1 42 42 GLU H H 1 8.255 0.030 . 1 . . . . . 42 GLU H . 12035 1 190 . 1 . 1 42 42 GLU C C 13 176.047 0.300 . 1 . . . . . 42 GLU C . 12035 1 191 . 1 . 1 42 42 GLU CA C 13 54.584 0.300 . 1 . . . . . 42 GLU CA . 12035 1 192 . 1 . 1 42 42 GLU N N 15 120.683 0.300 . 1 . . . . . 42 GLU N . 12035 1 193 . 1 . 1 43 43 GLU H H 1 8.319 0.030 . 1 . . . . . 43 GLU H . 12035 1 194 . 1 . 1 43 43 GLU C C 13 176.482 0.300 . 1 . . . . . 43 GLU C . 12035 1 195 . 1 . 1 43 43 GLU CA C 13 56.573 0.300 . 1 . . . . . 43 GLU CA . 12035 1 196 . 1 . 1 43 43 GLU CB C 13 30.196 0.300 . 1 . . . . . 43 GLU CB . 12035 1 197 . 1 . 1 43 43 GLU N N 15 120.984 0.300 . 1 . . . . . 43 GLU N . 12035 1 198 . 1 . 1 44 44 SER H H 1 8.349 0.030 . 1 . . . . . 44 SER H . 12035 1 199 . 1 . 1 44 44 SER C C 13 174.822 0.300 . 1 . . . . . 44 SER C . 12035 1 200 . 1 . 1 44 44 SER CA C 13 58.323 0.300 . 1 . . . . . 44 SER CA . 12035 1 201 . 1 . 1 44 44 SER CB C 13 63.846 0.300 . 1 . . . . . 44 SER CB . 12035 1 202 . 1 . 1 44 44 SER N N 15 117.102 0.300 . 1 . . . . . 44 SER N . 12035 1 203 . 1 . 1 45 45 THR H H 1 8.298 0.030 . 1 . . . . . 45 THR H . 12035 1 204 . 1 . 1 45 45 THR C C 13 174.360 0.300 . 1 . . . . . 45 THR C . 12035 1 205 . 1 . 1 45 45 THR CA C 13 61.604 0.300 . 1 . . . . . 45 THR CA . 12035 1 206 . 1 . 1 45 45 THR CB C 13 69.799 0.300 . 1 . . . . . 45 THR CB . 12035 1 207 . 1 . 1 45 45 THR N N 15 115.742 0.300 . 1 . . . . . 45 THR N . 12035 1 208 . 1 . 1 46 46 ASP H H 1 8.350 0.030 . 1 . . . . . 46 ASP H . 12035 1 209 . 1 . 1 46 46 ASP C C 13 176.127 0.300 . 1 . . . . . 46 ASP C . 12035 1 210 . 1 . 1 46 46 ASP CA C 13 54.526 0.300 . 1 . . . . . 46 ASP CA . 12035 1 211 . 1 . 1 46 46 ASP CB C 13 41.284 0.300 . 1 . . . . . 46 ASP CB . 12035 1 212 . 1 . 1 46 46 ASP N N 15 122.590 0.300 . 1 . . . . . 46 ASP N . 12035 1 213 . 1 . 1 47 47 GLU H H 1 8.319 0.030 . 1 . . . . . 47 GLU H . 12035 1 214 . 1 . 1 47 47 GLU C C 13 176.312 0.300 . 1 . . . . . 47 GLU C . 12035 1 215 . 1 . 1 47 47 GLU CA C 13 56.831 0.300 . 1 . . . . . 47 GLU CA . 12035 1 216 . 1 . 1 47 47 GLU CB C 13 30.296 0.300 . 1 . . . . . 47 GLU CB . 12035 1 217 . 1 . 1 47 47 GLU N N 15 120.984 0.300 . 1 . . . . . 47 GLU N . 12035 1 218 . 1 . 1 48 48 ASP H H 1 8.273 0.030 . 1 . . . . . 48 ASP H . 12035 1 219 . 1 . 1 48 48 ASP C C 13 175.752 0.300 . 1 . . . . . 48 ASP C . 12035 1 220 . 1 . 1 48 48 ASP CA C 13 54.456 0.300 . 1 . . . . . 48 ASP CA . 12035 1 221 . 1 . 1 48 48 ASP CB C 13 41.327 0.300 . 1 . . . . . 48 ASP CB . 12035 1 222 . 1 . 1 48 48 ASP N N 15 120.622 0.300 . 1 . . . . . 48 ASP N . 12035 1 223 . 1 . 1 49 49 PHE H H 1 8.019 0.030 . 1 . . . . . 49 PHE H . 12035 1 224 . 1 . 1 49 49 PHE C C 13 175.070 0.300 . 1 . . . . . 49 PHE C . 12035 1 225 . 1 . 1 49 49 PHE CA C 13 57.770 0.300 . 1 . . . . . 49 PHE CA . 12035 1 226 . 1 . 1 49 49 PHE CB C 13 39.558 0.300 . 1 . . . . . 49 PHE CB . 12035 1 227 . 1 . 1 49 49 PHE N N 15 120.546 0.300 . 1 . . . . . 49 PHE N . 12035 1 228 . 1 . 1 50 50 LYS H H 1 8.080 0.030 . 1 . . . . . 50 LYS H . 12035 1 229 . 1 . 1 50 50 LYS C C 13 173.884 0.300 . 1 . . . . . 50 LYS C . 12035 1 230 . 1 . 1 50 50 LYS CA C 13 53.731 0.300 . 1 . . . . . 50 LYS CA . 12035 1 231 . 1 . 1 50 50 LYS CB C 13 32.871 0.300 . 1 . . . . . 50 LYS CB . 12035 1 232 . 1 . 1 50 50 LYS N N 15 125.458 0.300 . 1 . . . . . 50 LYS N . 12035 1 233 . 1 . 1 51 51 PRO C C 13 176.653 0.300 . 1 . . . . . 51 PRO C . 12035 1 234 . 1 . 1 51 51 PRO CA C 13 63.126 0.300 . 1 . . . . . 51 PRO CA . 12035 1 235 . 1 . 1 51 51 PRO CB C 13 32.008 0.300 . 1 . . . . . 51 PRO CB . 12035 1 236 . 1 . 1 52 52 ASN H H 1 8.529 0.030 . 1 . . . . . 52 ASN H . 12035 1 237 . 1 . 1 52 52 ASN C C 13 175.446 0.300 . 1 . . . . . 52 ASN C . 12035 1 238 . 1 . 1 52 52 ASN CA C 13 53.365 0.300 . 1 . . . . . 52 ASN CA . 12035 1 239 . 1 . 1 52 52 ASN CB C 13 38.997 0.300 . 1 . . . . . 52 ASN CB . 12035 1 240 . 1 . 1 52 52 ASN N N 15 118.602 0.300 . 1 . . . . . 52 ASN N . 12035 1 241 . 1 . 1 53 53 GLU H H 1 8.443 0.030 . 1 . . . . . 53 GLU H . 12035 1 242 . 1 . 1 53 53 GLU C C 13 176.175 0.300 . 1 . . . . . 53 GLU C . 12035 1 243 . 1 . 1 53 53 GLU CA C 13 56.904 0.300 . 1 . . . . . 53 GLU CA . 12035 1 244 . 1 . 1 53 53 GLU CB C 13 30.282 0.300 . 1 . . . . . 53 GLU CB . 12035 1 245 . 1 . 1 53 53 GLU N N 15 121.638 0.300 . 1 . . . . . 53 GLU N . 12035 1 246 . 1 . 1 54 54 ASN H H 1 8.456 0.030 . 1 . . . . . 54 ASN H . 12035 1 247 . 1 . 1 54 54 ASN C C 13 176.178 0.300 . 1 . . . . . 54 ASN C . 12035 1 248 . 1 . 1 54 54 ASN CA C 13 53.443 0.300 . 1 . . . . . 54 ASN CA . 12035 1 249 . 1 . 1 54 54 ASN CB C 13 39.083 0.300 . 1 . . . . . 54 ASN CB . 12035 1 250 . 1 . 1 54 54 ASN N N 15 118.802 0.300 . 1 . . . . . 54 ASN N . 12035 1 251 . 1 . 1 55 55 GLU H H 1 8.343 0.030 . 1 . . . . . 55 GLU H . 12035 1 252 . 1 . 1 55 55 GLU C C 13 176.533 0.300 . 1 . . . . . 55 GLU C . 12035 1 253 . 1 . 1 55 55 GLU CA C 13 56.849 0.300 . 1 . . . . . 55 GLU CA . 12035 1 254 . 1 . 1 55 55 GLU CB C 13 30.209 0.300 . 1 . . . . . 55 GLU CB . 12035 1 255 . 1 . 1 55 55 GLU N N 15 121.350 0.300 . 1 . . . . . 55 GLU N . 12035 1 256 . 1 . 1 56 56 SER H H 1 8.291 0.030 . 1 . . . . . 56 SER H . 12035 1 257 . 1 . 1 56 56 SER C C 13 174.310 0.300 . 1 . . . . . 56 SER C . 12035 1 258 . 1 . 1 56 56 SER CA C 13 58.544 0.300 . 1 . . . . . 56 SER CA . 12035 1 259 . 1 . 1 56 56 SER CB C 13 63.889 0.300 . 1 . . . . . 56 SER CB . 12035 1 260 . 1 . 1 56 56 SER N N 15 116.094 0.300 . 1 . . . . . 56 SER N . 12035 1 261 . 1 . 1 57 57 ASP H H 1 8.361 0.030 . 1 . . . . . 57 ASP H . 12035 1 262 . 1 . 1 57 57 ASP C C 13 176.166 0.300 . 1 . . . . . 57 ASP C . 12035 1 263 . 1 . 1 57 57 ASP CA C 13 54.471 0.300 . 1 . . . . . 57 ASP CA . 12035 1 264 . 1 . 1 57 57 ASP CB C 13 41.284 0.300 . 1 . . . . . 57 ASP CB . 12035 1 265 . 1 . 1 57 57 ASP N N 15 122.608 0.300 . 1 . . . . . 57 ASP N . 12035 1 266 . 1 . 1 58 58 VAL H H 1 7.976 0.030 . 1 . . . . . 58 VAL H . 12035 1 267 . 1 . 1 58 58 VAL C C 13 175.863 0.300 . 1 . . . . . 58 VAL C . 12035 1 268 . 1 . 1 58 58 VAL CA C 13 62.194 0.300 . 1 . . . . . 58 VAL CA . 12035 1 269 . 1 . 1 58 58 VAL CB C 13 32.742 0.300 . 1 . . . . . 58 VAL CB . 12035 1 270 . 1 . 1 58 58 VAL N N 15 119.679 0.300 . 1 . . . . . 58 VAL N . 12035 1 271 . 1 . 1 59 59 ALA H H 1 8.307 0.030 . 1 . . . . . 59 ALA H . 12035 1 272 . 1 . 1 59 59 ALA C C 13 177.639 0.300 . 1 . . . . . 59 ALA C . 12035 1 273 . 1 . 1 59 59 ALA CA C 13 52.574 0.300 . 1 . . . . . 59 ALA CA . 12035 1 274 . 1 . 1 59 59 ALA CB C 13 19.498 0.300 . 1 . . . . . 59 ALA CB . 12035 1 275 . 1 . 1 59 59 ALA N N 15 127.670 0.300 . 1 . . . . . 59 ALA N . 12035 1 276 . 1 . 1 60 60 GLU H H 1 8.296 0.030 . 1 . . . . . 60 GLU H . 12035 1 277 . 1 . 1 60 60 GLU C C 13 176.245 0.300 . 1 . . . . . 60 GLU C . 12035 1 278 . 1 . 1 60 60 GLU CA C 13 56.627 0.300 . 1 . . . . . 60 GLU CA . 12035 1 279 . 1 . 1 60 60 GLU CB C 13 30.584 0.300 . 1 . . . . . 60 GLU CB . 12035 1 280 . 1 . 1 60 60 GLU N N 15 120.296 0.300 . 1 . . . . . 60 GLU N . 12035 1 281 . 1 . 1 61 61 GLU H H 1 8.338 0.030 . 1 . . . . . 61 GLU H . 12035 1 282 . 1 . 1 61 61 GLU C C 13 176.576 0.300 . 1 . . . . . 61 GLU C . 12035 1 283 . 1 . 1 61 61 GLU CA C 13 56.830 0.300 . 1 . . . . . 61 GLU CA . 12035 1 284 . 1 . 1 61 61 GLU CB C 13 30.455 0.300 . 1 . . . . . 61 GLU CB . 12035 1 285 . 1 . 1 61 61 GLU N N 15 121.326 0.300 . 1 . . . . . 61 GLU N . 12035 1 286 . 1 . 1 62 62 TYR C C 13 175.389 0.300 . 1 . . . . . 62 TYR C . 12035 1 287 . 1 . 1 62 62 TYR CA C 13 57.861 0.300 . 1 . . . . . 62 TYR CA . 12035 1 288 . 1 . 1 62 62 TYR CB C 13 39.083 0.300 . 1 . . . . . 62 TYR CB . 12035 1 289 . 1 . 1 63 63 ASP H H 1 8.271 0.030 . 1 . . . . . 63 ASP H . 12035 1 290 . 1 . 1 63 63 ASP C C 13 176.056 0.300 . 1 . . . . . 63 ASP C . 12035 1 291 . 1 . 1 63 63 ASP CA C 13 54.029 0.300 . 1 . . . . . 63 ASP CA . 12035 1 292 . 1 . 1 63 63 ASP CB C 13 41.542 0.300 . 1 . . . . . 63 ASP CB . 12035 1 293 . 1 . 1 63 63 ASP N N 15 122.624 0.300 . 1 . . . . . 63 ASP N . 12035 1 294 . 1 . 1 64 64 SER H H 1 8.219 0.030 . 1 . . . . . 64 SER H . 12035 1 295 . 1 . 1 64 64 SER C C 13 174.536 0.300 . 1 . . . . . 64 SER C . 12035 1 296 . 1 . 1 64 64 SER CA C 13 58.692 0.300 . 1 . . . . . 64 SER CA . 12035 1 297 . 1 . 1 64 64 SER CB C 13 63.674 0.300 . 1 . . . . . 64 SER CB . 12035 1 298 . 1 . 1 64 64 SER N N 15 116.825 0.300 . 1 . . . . . 64 SER N . 12035 1 299 . 1 . 1 65 65 ASN H H 1 8.509 0.030 . 1 . . . . . 65 ASN H . 12035 1 300 . 1 . 1 65 65 ASN C C 13 175.202 0.300 . 1 . . . . . 65 ASN C . 12035 1 301 . 1 . 1 65 65 ASN CA C 13 53.623 0.300 . 1 . . . . . 65 ASN CA . 12035 1 302 . 1 . 1 65 65 ASN CB C 13 38.911 0.300 . 1 . . . . . 65 ASN CB . 12035 1 303 . 1 . 1 65 65 ASN N N 15 120.878 0.300 . 1 . . . . . 65 ASN N . 12035 1 304 . 1 . 1 66 66 VAL H H 1 7.929 0.030 . 1 . . . . . 66 VAL H . 12035 1 305 . 1 . 1 66 66 VAL C C 13 176.129 0.300 . 1 . . . . . 66 VAL C . 12035 1 306 . 1 . 1 66 66 VAL CA C 13 62.433 0.300 . 1 . . . . . 66 VAL CA . 12035 1 307 . 1 . 1 66 66 VAL CB C 13 32.742 0.300 . 1 . . . . . 66 VAL CB . 12035 1 308 . 1 . 1 66 66 VAL N N 15 119.642 0.300 . 1 . . . . . 66 VAL N . 12035 1 309 . 1 . 1 67 67 GLU H H 1 8.441 0.030 . 1 . . . . . 67 GLU H . 12035 1 310 . 1 . 1 67 67 GLU C C 13 176.461 0.300 . 1 . . . . . 67 GLU C . 12035 1 311 . 1 . 1 67 67 GLU CA C 13 56.517 0.300 . 1 . . . . . 67 GLU CA . 12035 1 312 . 1 . 1 67 67 GLU CB C 13 30.283 0.300 . 1 . . . . . 67 GLU CB . 12035 1 313 . 1 . 1 67 67 GLU N N 15 124.386 0.300 . 1 . . . . . 67 GLU N . 12035 1 314 . 1 . 1 68 68 SER H H 1 8.329 0.030 . 1 . . . . . 68 SER H . 12035 1 315 . 1 . 1 68 68 SER C C 13 174.310 0.300 . 1 . . . . . 68 SER C . 12035 1 316 . 1 . 1 68 68 SER CA C 13 58.323 0.300 . 1 . . . . . 68 SER CA . 12035 1 317 . 1 . 1 68 68 SER CB C 13 63.975 0.300 . 1 . . . . . 68 SER CB . 12035 1 318 . 1 . 1 68 68 SER N N 15 116.916 0.300 . 1 . . . . . 68 SER N . 12035 1 319 . 1 . 1 69 69 ASP H H 1 8.451 0.030 . 1 . . . . . 69 ASP H . 12035 1 320 . 1 . 1 69 69 ASP C C 13 176.369 0.300 . 1 . . . . . 69 ASP C . 12035 1 321 . 1 . 1 69 69 ASP CA C 13 54.380 0.300 . 1 . . . . . 69 ASP CA . 12035 1 322 . 1 . 1 69 69 ASP CB C 13 41.456 0.300 . 1 . . . . . 69 ASP CB . 12035 1 323 . 1 . 1 69 69 ASP N N 15 122.879 0.300 . 1 . . . . . 69 ASP N . 12035 1 324 . 1 . 1 70 70 SER H H 1 8.295 0.030 . 1 . . . . . 70 SER H . 12035 1 325 . 1 . 1 70 70 SER C C 13 174.413 0.300 . 1 . . . . . 70 SER C . 12035 1 326 . 1 . 1 70 70 SER CA C 13 58.471 0.300 . 1 . . . . . 70 SER CA . 12035 1 327 . 1 . 1 70 70 SER CB C 13 63.932 0.300 . 1 . . . . . 70 SER CB . 12035 1 328 . 1 . 1 70 70 SER N N 15 115.879 0.300 . 1 . . . . . 70 SER N . 12035 1 329 . 1 . 1 71 71 ASP H H 1 8.428 0.030 . 1 . . . . . 71 ASP H . 12035 1 330 . 1 . 1 71 71 ASP C C 13 176.082 0.300 . 1 . . . . . 71 ASP C . 12035 1 331 . 1 . 1 71 71 ASP CA C 13 54.456 0.300 . 1 . . . . . 71 ASP CA . 12035 1 332 . 1 . 1 71 71 ASP CB C 13 41.456 0.300 . 1 . . . . . 71 ASP CB . 12035 1 333 . 1 . 1 71 71 ASP N N 15 122.677 0.300 . 1 . . . . . 71 ASP N . 12035 1 334 . 1 . 1 72 72 ASP H H 1 8.270 0.030 . 1 . . . . . 72 ASP H . 12035 1 335 . 1 . 1 72 72 ASP C C 13 175.978 0.300 . 1 . . . . . 72 ASP C . 12035 1 336 . 1 . 1 72 72 ASP CA C 13 54.443 0.300 . 1 . . . . . 72 ASP CA . 12035 1 337 . 1 . 1 72 72 ASP CB C 13 41.468 0.300 . 1 . . . . . 72 ASP CB . 12035 1 338 . 1 . 1 72 72 ASP N N 15 120.923 0.300 . 1 . . . . . 72 ASP N . 12035 1 339 . 1 . 1 73 73 ASP H H 1 8.303 0.030 . 1 . . . . . 73 ASP H . 12035 1 340 . 1 . 1 73 73 ASP C C 13 176.680 0.300 . 1 . . . . . 73 ASP C . 12035 1 341 . 1 . 1 73 73 ASP CA C 13 54.376 0.300 . 1 . . . . . 73 ASP CA . 12035 1 342 . 1 . 1 73 73 ASP CB C 13 41.120 0.300 . 1 . . . . . 73 ASP CB . 12035 1 343 . 1 . 1 73 73 ASP N N 15 121.212 0.300 . 1 . . . . . 73 ASP N . 12035 1 344 . 1 . 1 74 74 SER H H 1 8.262 0.030 . 1 . . . . . 74 SER H . 12035 1 345 . 1 . 1 74 74 SER C C 13 174.747 0.300 . 1 . . . . . 74 SER C . 12035 1 346 . 1 . 1 74 74 SER CA C 13 59.227 0.300 . 1 . . . . . 74 SER CA . 12035 1 347 . 1 . 1 74 74 SER CB C 13 63.816 0.300 . 1 . . . . . 74 SER CB . 12035 1 348 . 1 . 1 74 74 SER N N 15 116.306 0.300 . 1 . . . . . 74 SER N . 12035 1 349 . 1 . 1 75 75 ASP H H 1 8.378 0.030 . 1 . . . . . 75 ASP H . 12035 1 350 . 1 . 1 75 75 ASP C C 13 176.461 0.300 . 1 . . . . . 75 ASP C . 12035 1 351 . 1 . 1 75 75 ASP CA C 13 54.585 0.300 . 1 . . . . . 75 ASP CA . 12035 1 352 . 1 . 1 75 75 ASP CB C 13 41.068 0.300 . 1 . . . . . 75 ASP CB . 12035 1 353 . 1 . 1 75 75 ASP N N 15 122.096 0.300 . 1 . . . . . 75 ASP N . 12035 1 354 . 1 . 1 76 76 ALA H H 1 8.238 0.030 . 1 . . . . . 76 ALA H . 12035 1 355 . 1 . 1 76 76 ALA C C 13 178.279 0.300 . 1 . . . . . 76 ALA C . 12035 1 356 . 1 . 1 76 76 ALA CA C 13 52.979 0.300 . 1 . . . . . 76 ALA CA . 12035 1 357 . 1 . 1 76 76 ALA CB C 13 19.239 0.300 . 1 . . . . . 76 ALA CB . 12035 1 358 . 1 . 1 76 76 ALA N N 15 124.784 0.300 . 1 . . . . . 76 ALA N . 12035 1 359 . 1 . 1 77 77 SER H H 1 8.310 0.030 . 1 . . . . . 77 SER H . 12035 1 360 . 1 . 1 77 77 SER C C 13 175.477 0.300 . 1 . . . . . 77 SER C . 12035 1 361 . 1 . 1 77 77 SER CA C 13 59.042 0.300 . 1 . . . . . 77 SER CA . 12035 1 362 . 1 . 1 77 77 SER CB C 13 63.673 0.300 . 1 . . . . . 77 SER CB . 12035 1 363 . 1 . 1 77 77 SER N N 15 114.712 0.300 . 1 . . . . . 77 SER N . 12035 1 364 . 1 . 1 78 78 GLY H H 1 8.347 0.030 . 1 . . . . . 78 GLY H . 12035 1 365 . 1 . 1 78 78 GLY C C 13 174.933 0.300 . 1 . . . . . 78 GLY C . 12035 1 366 . 1 . 1 78 78 GLY CA C 13 45.570 0.300 . 1 . . . . . 78 GLY CA . 12035 1 367 . 1 . 1 78 78 GLY N N 15 110.701 0.300 . 1 . . . . . 78 GLY N . 12035 1 368 . 1 . 1 79 79 GLY H H 1 8.288 0.030 . 1 . . . . . 79 GLY H . 12035 1 369 . 1 . 1 79 79 GLY C C 13 174.909 0.300 . 1 . . . . . 79 GLY C . 12035 1 370 . 1 . 1 79 79 GLY CA C 13 45.472 0.300 . 1 . . . . . 79 GLY CA . 12035 1 371 . 1 . 1 79 79 GLY N N 15 108.739 0.300 . 1 . . . . . 79 GLY N . 12035 1 372 . 1 . 1 80 80 GLY H H 1 8.392 0.030 . 1 . . . . . 80 GLY H . 12035 1 373 . 1 . 1 80 80 GLY C C 13 174.899 0.300 . 1 . . . . . 80 GLY C . 12035 1 374 . 1 . 1 80 80 GLY CA C 13 45.422 0.300 . 1 . . . . . 80 GLY CA . 12035 1 375 . 1 . 1 80 80 GLY N N 15 108.906 0.300 . 1 . . . . . 80 GLY N . 12035 1 376 . 1 . 1 81 81 GLY H H 1 8.375 0.030 . 1 . . . . . 81 GLY H . 12035 1 377 . 1 . 1 81 81 GLY C C 13 174.145 0.300 . 1 . . . . . 81 GLY C . 12035 1 378 . 1 . 1 81 81 GLY CA C 13 45.441 0.300 . 1 . . . . . 81 GLY CA . 12035 1 379 . 1 . 1 81 81 GLY N N 15 108.977 0.300 . 1 . . . . . 81 GLY N . 12035 1 380 . 1 . 1 82 82 ASP H H 1 8.333 0.030 . 1 . . . . . 82 ASP H . 12035 1 381 . 1 . 1 82 82 ASP C C 13 176.611 0.300 . 1 . . . . . 82 ASP C . 12035 1 382 . 1 . 1 82 82 ASP CA C 13 54.398 0.300 . 1 . . . . . 82 ASP CA . 12035 1 383 . 1 . 1 82 82 ASP CB C 13 41.284 0.300 . 1 . . . . . 82 ASP CB . 12035 1 384 . 1 . 1 82 82 ASP N N 15 120.479 0.300 . 1 . . . . . 82 ASP N . 12035 1 385 . 1 . 1 83 83 SER H H 1 8.307 0.030 . 1 . . . . . 83 SER H . 12035 1 386 . 1 . 1 83 83 SER C C 13 174.584 0.300 . 1 . . . . . 83 SER C . 12035 1 387 . 1 . 1 83 83 SER CA C 13 58.951 0.300 . 1 . . . . . 83 SER CA . 12035 1 388 . 1 . 1 83 83 SER CB C 13 63.673 0.300 . 1 . . . . . 83 SER CB . 12035 1 389 . 1 . 1 83 83 SER N N 15 116.068 0.300 . 1 . . . . . 83 SER N . 12035 1 390 . 1 . 1 84 84 ASP H H 1 8.368 0.030 . 1 . . . . . 84 ASP H . 12035 1 391 . 1 . 1 84 84 ASP C C 13 177.019 0.300 . 1 . . . . . 84 ASP C . 12035 1 392 . 1 . 1 84 84 ASP CA C 13 54.766 0.300 . 1 . . . . . 84 ASP CA . 12035 1 393 . 1 . 1 84 84 ASP CB C 13 41.240 0.300 . 1 . . . . . 84 ASP CB . 12035 1 394 . 1 . 1 84 84 ASP N N 15 122.089 0.300 . 1 . . . . . 84 ASP N . 12035 1 395 . 1 . 1 85 85 GLY H H 1 8.319 0.030 . 1 . . . . . 85 GLY H . 12035 1 396 . 1 . 1 85 85 GLY C C 13 174.542 0.300 . 1 . . . . . 85 GLY C . 12035 1 397 . 1 . 1 85 85 GLY CA C 13 45.864 0.300 . 1 . . . . . 85 GLY CA . 12035 1 398 . 1 . 1 85 85 GLY N N 15 109.215 0.300 . 1 . . . . . 85 GLY N . 12035 1 399 . 1 . 1 86 86 ALA H H 1 8.160 0.030 . 1 . . . . . 86 ALA H . 12035 1 400 . 1 . 1 86 86 ALA C C 13 178.164 0.300 . 1 . . . . . 86 ALA C . 12035 1 401 . 1 . 1 86 86 ALA CA C 13 53.029 0.300 . 1 . . . . . 86 ALA CA . 12035 1 402 . 1 . 1 86 86 ALA CB C 13 19.411 0.300 . 1 . . . . . 86 ALA CB . 12035 1 403 . 1 . 1 86 86 ALA N N 15 123.621 0.300 . 1 . . . . . 86 ALA N . 12035 1 stop_ save_