data_50819 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50819 _Entry.Title ; N-terminal domain of p50 subunit of NF-kappaB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-10 _Entry.Accession_date 2021-03-10 _Entry.Last_release_date 2021-03-10 _Entry.Original_release_date 2021-03-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'N-terminal domain of p50 subunit of NF-kappaB' _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 Nitin Dhaka . . . . 50819 2 David Joseph . . . . 50819 3 'Veera Mohana' Kakita . R. . . 50819 4 Sulakshana Mukherjee . P. . . 50819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 50819 heteronucl_T1_relaxation 1 50819 heteronucl_T2_relaxation 1 50819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 101 50819 'T2 relaxation values' 101 50819 'heteronuclear NOE values' 101 50819 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 . . 2021-06-25 . original BMRB . 50819 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28055 'Backbone resonance assignments of N-terminal domain of p50 NF-kappaB subunit' 50819 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50819 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34056439 _Citation.DOI 10.1021/acsomega.1c01299 _Citation.Full_citation . _Citation.Title ; Insights into the NF-kB-DNA Interaction through NMR Spectroscopy. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Omega' _Citation.Journal_name_full 'ACS omega' _Citation.Journal_volume 6 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2470-1343 _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 12877 _Citation.Page_last 12886 _Citation.Year 2021 _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 Tahseen Raza T. . . . 50819 1 2 Nitin Dhaka N. . . . 50819 1 3 David Joseph D. . . . 50819 1 4 Prikshat Dadhwal P. . . . 50819 1 5 'Veera Mohana Rao' Kakita . . . . 50819 1 6 Hanudatta Atreya H. S. . . 50819 1 7 Sulakshana Mukherjee S. P. . . 50819 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NF-kB 50819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50819 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of p50 subunit of NF-kappaB' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22700 _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 p50NTD 1 $entity_1 . . yes native no no . . . 50819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPYLQILEQPKQRGFRFRYV CEGPSHGGLPGASSEKNKKS YPQVKICNYVGPAKVIVQLV TNGKNIHLHAHSLVGKHCED GVCTVTAGPKDMVVGFANLG ILHVTKKKVFETLEARMTEA CIRGYNPGLLVHSDLAYLQA EGGGDRQLTDREKEIIRQAA VQQTKEMDLSVVRLMFTAFL PDSTGSFTRRLEPVVSDAIY DSKAPNA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '39 to 245' _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 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . GLY . 50819 1 2 . PRO . 50819 1 3 . TYR . 50819 1 4 . LEU . 50819 1 5 . GLN . 50819 1 6 . ILE . 50819 1 7 . LEU . 50819 1 8 . GLU . 50819 1 9 . GLN . 50819 1 10 . PRO . 50819 1 11 . LYS . 50819 1 12 . GLN . 50819 1 13 . ARG . 50819 1 14 . GLY . 50819 1 15 . PHE . 50819 1 16 . ARG . 50819 1 17 . PHE . 50819 1 18 . ARG . 50819 1 19 . TYR . 50819 1 20 . VAL . 50819 1 21 . CYS . 50819 1 22 . GLU . 50819 1 23 . GLY . 50819 1 24 . PRO . 50819 1 25 . SER . 50819 1 26 . HIS . 50819 1 27 . GLY . 50819 1 28 . GLY . 50819 1 29 . LEU . 50819 1 30 . PRO . 50819 1 31 . GLY . 50819 1 32 . ALA . 50819 1 33 . SER . 50819 1 34 . SER . 50819 1 35 . GLU . 50819 1 36 . LYS . 50819 1 37 . ASN . 50819 1 38 . LYS . 50819 1 39 . LYS . 50819 1 40 . SER . 50819 1 41 . TYR . 50819 1 42 . PRO . 50819 1 43 . GLN . 50819 1 44 . VAL . 50819 1 45 . LYS . 50819 1 46 . ILE . 50819 1 47 . CYS . 50819 1 48 . ASN . 50819 1 49 . TYR . 50819 1 50 . VAL . 50819 1 51 . GLY . 50819 1 52 . PRO . 50819 1 53 . ALA . 50819 1 54 . LYS . 50819 1 55 . VAL . 50819 1 56 . ILE . 50819 1 57 . VAL . 50819 1 58 . GLN . 50819 1 59 . LEU . 50819 1 60 . VAL . 50819 1 61 . THR . 50819 1 62 . ASN . 50819 1 63 . GLY . 50819 1 64 . LYS . 50819 1 65 . ASN . 50819 1 66 . ILE . 50819 1 67 . HIS . 50819 1 68 . LEU . 50819 1 69 . HIS . 50819 1 70 . ALA . 50819 1 71 . HIS . 50819 1 72 . SER . 50819 1 73 . LEU . 50819 1 74 . VAL . 50819 1 75 . GLY . 50819 1 76 . LYS . 50819 1 77 . HIS . 50819 1 78 . CYS . 50819 1 79 . GLU . 50819 1 80 . ASP . 50819 1 81 . GLY . 50819 1 82 . VAL . 50819 1 83 . CYS . 50819 1 84 . THR . 50819 1 85 . VAL . 50819 1 86 . THR . 50819 1 87 . ALA . 50819 1 88 . GLY . 50819 1 89 . PRO . 50819 1 90 . LYS . 50819 1 91 . ASP . 50819 1 92 . MET . 50819 1 93 . VAL . 50819 1 94 . VAL . 50819 1 95 . GLY . 50819 1 96 . PHE . 50819 1 97 . ALA . 50819 1 98 . ASN . 50819 1 99 . LEU . 50819 1 100 . GLY . 50819 1 101 . ILE . 50819 1 102 . LEU . 50819 1 103 . HIS . 50819 1 104 . VAL . 50819 1 105 . THR . 50819 1 106 . LYS . 50819 1 107 . LYS . 50819 1 108 . LYS . 50819 1 109 . VAL . 50819 1 110 . PHE . 50819 1 111 . GLU . 50819 1 112 . THR . 50819 1 113 . LEU . 50819 1 114 . GLU . 50819 1 115 . ALA . 50819 1 116 . ARG . 50819 1 117 . MET . 50819 1 118 . THR . 50819 1 119 . GLU . 50819 1 120 . ALA . 50819 1 121 . CYS . 50819 1 122 . ILE . 50819 1 123 . ARG . 50819 1 124 . GLY . 50819 1 125 . TYR . 50819 1 126 . ASN . 50819 1 127 . PRO . 50819 1 128 . GLY . 50819 1 129 . LEU . 50819 1 130 . LEU . 50819 1 131 . VAL . 50819 1 132 . HIS . 50819 1 133 . SER . 50819 1 134 . ASP . 50819 1 135 . LEU . 50819 1 136 . ALA . 50819 1 137 . TYR . 50819 1 138 . LEU . 50819 1 139 . GLN . 50819 1 140 . ALA . 50819 1 141 . GLU . 50819 1 142 . GLY . 50819 1 143 . GLY . 50819 1 144 . GLY . 50819 1 145 . ASP . 50819 1 146 . ARG . 50819 1 147 . GLN . 50819 1 148 . LEU . 50819 1 149 . THR . 50819 1 150 . ASP . 50819 1 151 . ARG . 50819 1 152 . GLU . 50819 1 153 . LYS . 50819 1 154 . GLU . 50819 1 155 . ILE . 50819 1 156 . ILE . 50819 1 157 . ARG . 50819 1 158 . GLN . 50819 1 159 . ALA . 50819 1 160 . ALA . 50819 1 161 . VAL . 50819 1 162 . GLN . 50819 1 163 . GLN . 50819 1 164 . THR . 50819 1 165 . LYS . 50819 1 166 . GLU . 50819 1 167 . MET . 50819 1 168 . ASP . 50819 1 169 . LEU . 50819 1 170 . SER . 50819 1 171 . VAL . 50819 1 172 . VAL . 50819 1 173 . ARG . 50819 1 174 . LEU . 50819 1 175 . MET . 50819 1 176 . PHE . 50819 1 177 . THR . 50819 1 178 . ALA . 50819 1 179 . PHE . 50819 1 180 . LEU . 50819 1 181 . PRO . 50819 1 182 . ASP . 50819 1 183 . SER . 50819 1 184 . THR . 50819 1 185 . GLY . 50819 1 186 . SER . 50819 1 187 . PHE . 50819 1 188 . THR . 50819 1 189 . ARG . 50819 1 190 . ARG . 50819 1 191 . LEU . 50819 1 192 . GLU . 50819 1 193 . PRO . 50819 1 194 . VAL . 50819 1 195 . VAL . 50819 1 196 . SER . 50819 1 197 . ASP . 50819 1 198 . ALA . 50819 1 199 . ILE . 50819 1 200 . TYR . 50819 1 201 . ASP . 50819 1 202 . SER . 50819 1 203 . LYS . 50819 1 204 . ALA . 50819 1 205 . PRO . 50819 1 206 . ASN . 50819 1 207 . ALA . 50819 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 50819 1 . PRO 2 2 50819 1 . TYR 3 3 50819 1 . LEU 4 4 50819 1 . GLN 5 5 50819 1 . ILE 6 6 50819 1 . LEU 7 7 50819 1 . GLU 8 8 50819 1 . GLN 9 9 50819 1 . PRO 10 10 50819 1 . LYS 11 11 50819 1 . GLN 12 12 50819 1 . ARG 13 13 50819 1 . GLY 14 14 50819 1 . PHE 15 15 50819 1 . ARG 16 16 50819 1 . PHE 17 17 50819 1 . ARG 18 18 50819 1 . TYR 19 19 50819 1 . VAL 20 20 50819 1 . CYS 21 21 50819 1 . GLU 22 22 50819 1 . GLY 23 23 50819 1 . PRO 24 24 50819 1 . SER 25 25 50819 1 . HIS 26 26 50819 1 . GLY 27 27 50819 1 . GLY 28 28 50819 1 . LEU 29 29 50819 1 . PRO 30 30 50819 1 . GLY 31 31 50819 1 . ALA 32 32 50819 1 . SER 33 33 50819 1 . SER 34 34 50819 1 . GLU 35 35 50819 1 . LYS 36 36 50819 1 . ASN 37 37 50819 1 . LYS 38 38 50819 1 . LYS 39 39 50819 1 . SER 40 40 50819 1 . TYR 41 41 50819 1 . PRO 42 42 50819 1 . GLN 43 43 50819 1 . VAL 44 44 50819 1 . LYS 45 45 50819 1 . ILE 46 46 50819 1 . CYS 47 47 50819 1 . ASN 48 48 50819 1 . TYR 49 49 50819 1 . VAL 50 50 50819 1 . GLY 51 51 50819 1 . PRO 52 52 50819 1 . ALA 53 53 50819 1 . LYS 54 54 50819 1 . VAL 55 55 50819 1 . ILE 56 56 50819 1 . VAL 57 57 50819 1 . GLN 58 58 50819 1 . LEU 59 59 50819 1 . VAL 60 60 50819 1 . THR 61 61 50819 1 . ASN 62 62 50819 1 . GLY 63 63 50819 1 . LYS 64 64 50819 1 . ASN 65 65 50819 1 . ILE 66 66 50819 1 . HIS 67 67 50819 1 . LEU 68 68 50819 1 . HIS 69 69 50819 1 . ALA 70 70 50819 1 . HIS 71 71 50819 1 . SER 72 72 50819 1 . LEU 73 73 50819 1 . VAL 74 74 50819 1 . GLY 75 75 50819 1 . LYS 76 76 50819 1 . HIS 77 77 50819 1 . CYS 78 78 50819 1 . GLU 79 79 50819 1 . ASP 80 80 50819 1 . GLY 81 81 50819 1 . VAL 82 82 50819 1 . CYS 83 83 50819 1 . THR 84 84 50819 1 . VAL 85 85 50819 1 . THR 86 86 50819 1 . ALA 87 87 50819 1 . GLY 88 88 50819 1 . PRO 89 89 50819 1 . LYS 90 90 50819 1 . ASP 91 91 50819 1 . MET 92 92 50819 1 . VAL 93 93 50819 1 . VAL 94 94 50819 1 . GLY 95 95 50819 1 . PHE 96 96 50819 1 . ALA 97 97 50819 1 . ASN 98 98 50819 1 . LEU 99 99 50819 1 . GLY 100 100 50819 1 . ILE 101 101 50819 1 . LEU 102 102 50819 1 . HIS 103 103 50819 1 . VAL 104 104 50819 1 . THR 105 105 50819 1 . LYS 106 106 50819 1 . LYS 107 107 50819 1 . LYS 108 108 50819 1 . VAL 109 109 50819 1 . PHE 110 110 50819 1 . GLU 111 111 50819 1 . THR 112 112 50819 1 . LEU 113 113 50819 1 . GLU 114 114 50819 1 . ALA 115 115 50819 1 . ARG 116 116 50819 1 . MET 117 117 50819 1 . THR 118 118 50819 1 . GLU 119 119 50819 1 . ALA 120 120 50819 1 . CYS 121 121 50819 1 . ILE 122 122 50819 1 . ARG 123 123 50819 1 . GLY 124 124 50819 1 . TYR 125 125 50819 1 . ASN 126 126 50819 1 . PRO 127 127 50819 1 . GLY 128 128 50819 1 . LEU 129 129 50819 1 . LEU 130 130 50819 1 . VAL 131 131 50819 1 . HIS 132 132 50819 1 . SER 133 133 50819 1 . ASP 134 134 50819 1 . LEU 135 135 50819 1 . ALA 136 136 50819 1 . TYR 137 137 50819 1 . LEU 138 138 50819 1 . GLN 139 139 50819 1 . ALA 140 140 50819 1 . GLU 141 141 50819 1 . GLY 142 142 50819 1 . GLY 143 143 50819 1 . GLY 144 144 50819 1 . ASP 145 145 50819 1 . ARG 146 146 50819 1 . GLN 147 147 50819 1 . LEU 148 148 50819 1 . THR 149 149 50819 1 . ASP 150 150 50819 1 . ARG 151 151 50819 1 . GLU 152 152 50819 1 . LYS 153 153 50819 1 . GLU 154 154 50819 1 . ILE 155 155 50819 1 . ILE 156 156 50819 1 . ARG 157 157 50819 1 . GLN 158 158 50819 1 . ALA 159 159 50819 1 . ALA 160 160 50819 1 . VAL 161 161 50819 1 . GLN 162 162 50819 1 . GLN 163 163 50819 1 . THR 164 164 50819 1 . LYS 165 165 50819 1 . GLU 166 166 50819 1 . MET 167 167 50819 1 . ASP 168 168 50819 1 . LEU 169 169 50819 1 . SER 170 170 50819 1 . VAL 171 171 50819 1 . VAL 172 172 50819 1 . ARG 173 173 50819 1 . LEU 174 174 50819 1 . MET 175 175 50819 1 . PHE 176 176 50819 1 . THR 177 177 50819 1 . ALA 178 178 50819 1 . PHE 179 179 50819 1 . LEU 180 180 50819 1 . PRO 181 181 50819 1 . ASP 182 182 50819 1 . SER 183 183 50819 1 . THR 184 184 50819 1 . GLY 185 185 50819 1 . SER 186 186 50819 1 . PHE 187 187 50819 1 . THR 188 188 50819 1 . ARG 189 189 50819 1 . ARG 190 190 50819 1 . LEU 191 191 50819 1 . GLU 192 192 50819 1 . PRO 193 193 50819 1 . VAL 194 194 50819 1 . VAL 195 195 50819 1 . SER 196 196 50819 1 . ASP 197 197 50819 1 . ALA 198 198 50819 1 . ILE 199 199 50819 1 . TYR 200 200 50819 1 . ASP 201 201 50819 1 . SER 202 202 50819 1 . LYS 203 203 50819 1 . ALA 204 204 50819 1 . PRO 205 205 50819 1 . ASN 206 206 50819 1 . ALA 207 207 50819 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50819 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 50819 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50819 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL-21 (DE-3)' . . plasmid . . pET11a . . . 50819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50819 _Sample.ID 1 _Sample.Name p50NTD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'N-terminal domain of p50 subunit of NF-kappaB' '[U-99% 15N]' . . 1 $entity_1 . . 0.45 . . mM . . . . 50819 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 50819 _Sample_condition_list.ID 1 _Sample_condition_list.Name p50NTD _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' 0.05 . M 50819 1 pH 6.8 . pH 50819 1 pressure 1 . atm 50819 1 temperature 298 . K 50819 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50819 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50819 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50819 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50819 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50819 _Software.ID 3 _Software.Type . _Software.Name Relax _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50819 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 50819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Bruker' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 50819 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50819 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 50819 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hetNOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 50819 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 50819 1 2 $software_2 . . 50819 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.8307 0.0413 . . . . . . . . . . 50819 1 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.8432 0.0705 . . . . . . . . . . 50819 1 3 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.7185 8.15E-03 . . . . . . . . . . 50819 1 4 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.8217 0.0517 . . . . . . . . . . 50819 1 5 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.7853 0.0188 . . . . . . . . . . 50819 1 6 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7994 0.0214 . . . . . . . . . . 50819 1 7 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.6367 0.1315 . . . . . . . . . . 50819 1 8 . 1 1 18 18 ARG N N 15 . 1 1 18 18 ARG H H 1 0.7161 0.1069 . . . . . . . . . . 50819 1 9 . 1 1 21 21 CYS N N 15 . 1 1 21 21 CYS H H 1 0.9303 0.0974 . . . . . . . . . . 50819 1 10 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.5901 0.0302 . . . . . . . . . . 50819 1 11 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.6607 0.0382 . . . . . . . . . . 50819 1 12 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.3358 0.0808 . . . . . . . . . . 50819 1 13 . 1 1 39 39 LYS N N 15 . 1 1 39 39 LYS H H 1 0.3898 0.0614 . . . . . . . . . . 50819 1 14 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.5082 0.0321 . . . . . . . . . . 50819 1 15 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.8772 0.0435 . . . . . . . . . . 50819 1 16 . 1 1 47 47 CYS N N 15 . 1 1 47 47 CYS H H 1 0.8641 0.0319 . . . . . . . . . . 50819 1 17 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.8645 0.0209 . . . . . . . . . . 50819 1 18 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.8305 3.47E-03 . . . . . . . . . . 50819 1 19 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.7777 0.0375 . . . . . . . . . . 50819 1 20 . 1 1 61 61 THR N N 15 . 1 1 61 61 THR H H 1 0.7776 0.0669 . . . . . . . . . . 50819 1 21 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 -0.2973 0.0179 . . . . . . . . . . 50819 1 22 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.4482 0.0141 . . . . . . . . . . 50819 1 23 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.421 2.27E-03 . . . . . . . . . . 50819 1 24 . 1 1 67 67 HIS N N 15 . 1 1 67 67 HIS H H 1 0.8352 0.0517 . . . . . . . . . . 50819 1 25 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.7096 0.0355 . . . . . . . . . . 50819 1 26 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.8787 0.0238 . . . . . . . . . . 50819 1 27 . 1 1 71 71 HIS N N 15 . 1 1 71 71 HIS H H 1 0.8552 0.0349 . . . . . . . . . . 50819 1 28 . 1 1 72 72 SER N N 15 . 1 1 72 72 SER H H 1 0.8648 0.0329 . . . . . . . . . . 50819 1 29 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.8037 0.0932 . . . . . . . . . . 50819 1 30 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.8249 0.0465 . . . . . . . . . . 50819 1 31 . 1 1 78 78 CYS N N 15 . 1 1 78 78 CYS H H 1 0.8846 0.0626 . . . . . . . . . . 50819 1 32 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.8004 0.033 . . . . . . . . . . 50819 1 33 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.7765 0.0223 . . . . . . . . . . 50819 1 34 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY H H 1 0.814 0.0345 . . . . . . . . . . 50819 1 35 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.7637 4.96E-03 . . . . . . . . . . 50819 1 36 . 1 1 83 83 CYS N N 15 . 1 1 83 83 CYS H H 1 0.8255 0.0522 . . . . . . . . . . 50819 1 37 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.8105 0.0283 . . . . . . . . . . 50819 1 38 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.8195 0.0275 . . . . . . . . . . 50819 1 39 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 0.6436 0.0248 . . . . . . . . . . 50819 1 40 . 1 1 87 87 ALA N N 15 . 1 1 87 87 ALA H H 1 0.7692 0.0467 . . . . . . . . . . 50819 1 41 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 0.7215 0.0222 . . . . . . . . . . 50819 1 42 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.7356 0.0159 . . . . . . . . . . 50819 1 43 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.591 0.0644 . . . . . . . . . . 50819 1 44 . 1 1 92 92 MET N N 15 . 1 1 92 92 MET H H 1 0.7969 0.0208 . . . . . . . . . . 50819 1 45 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.8482 0.0509 . . . . . . . . . . 50819 1 46 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.858 0.0926 . . . . . . . . . . 50819 1 47 . 1 1 95 95 GLY N N 15 . 1 1 95 95 GLY H H 1 0.7917 0.0465 . . . . . . . . . . 50819 1 48 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.7256 0.1199 . . . . . . . . . . 50819 1 49 . 1 1 101 101 ILE N N 15 . 1 1 101 101 ILE H H 1 0.8568 0.0366 . . . . . . . . . . 50819 1 50 . 1 1 102 102 LEU N N 15 . 1 1 102 102 LEU H H 1 0.8324 0.0464 . . . . . . . . . . 50819 1 51 . 1 1 110 110 PHE N N 15 . 1 1 110 110 PHE H H 1 0.8754 0.0357 . . . . . . . . . . 50819 1 52 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.825 0.0534 . . . . . . . . . . 50819 1 53 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8478 0.2049 . . . . . . . . . . 50819 1 54 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.8003 0.0583 . . . . . . . . . . 50819 1 55 . 1 1 116 116 ARG N N 15 . 1 1 116 116 ARG H H 1 0.8378 0.0791 . . . . . . . . . . 50819 1 56 . 1 1 117 117 MET N N 15 . 1 1 117 117 MET H H 1 0.8629 0.0653 . . . . . . . . . . 50819 1 57 . 1 1 121 121 CYS N N 15 . 1 1 121 121 CYS H H 1 0.8459 0.0116 . . . . . . . . . . 50819 1 58 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.8216 0.0238 . . . . . . . . . . 50819 1 59 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.8104 0.0103 . . . . . . . . . . 50819 1 60 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.725 0.0265 . . . . . . . . . . 50819 1 61 . 1 1 128 128 GLY N N 15 . 1 1 128 128 GLY H H 1 0.7957 0.055 . . . . . . . . . . 50819 1 62 . 1 1 129 129 LEU N N 15 . 1 1 129 129 LEU H H 1 0.8543 0.051 . . . . . . . . . . 50819 1 63 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 0.8351 0.0366 . . . . . . . . . . 50819 1 64 . 1 1 137 137 TYR N N 15 . 1 1 137 137 TYR H H 1 0.7919 0.0516 . . . . . . . . . . 50819 1 65 . 1 1 138 138 LEU N N 15 . 1 1 138 138 LEU H H 1 0.839 0.0564 . . . . . . . . . . 50819 1 66 . 1 1 139 139 GLN N N 15 . 1 1 139 139 GLN H H 1 0.7408 0.0175 . . . . . . . . . . 50819 1 67 . 1 1 142 142 GLY N N 15 . 1 1 142 142 GLY H H 1 0.4808 9.09E-03 . . . . . . . . . . 50819 1 68 . 1 1 145 145 ASP N N 15 . 1 1 145 145 ASP H H 1 0.5751 4.13E-03 . . . . . . . . . . 50819 1 69 . 1 1 146 146 ARG N N 15 . 1 1 146 146 ARG H H 1 0.4229 0.0327 . . . . . . . . . . 50819 1 70 . 1 1 148 148 LEU N N 15 . 1 1 148 148 LEU H H 1 0.7842 0.0541 . . . . . . . . . . 50819 1 71 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.8047 0.0204 . . . . . . . . . . 50819 1 72 . 1 1 150 150 ASP N N 15 . 1 1 150 150 ASP H H 1 0.8331 0.0162 . . . . . . . . . . 50819 1 73 . 1 1 151 151 ARG N N 15 . 1 1 151 151 ARG H H 1 0.6933 0.02 . . . . . . . . . . 50819 1 74 . 1 1 152 152 GLU N N 15 . 1 1 152 152 GLU H H 1 0.8079 0.0149 . . . . . . . . . . 50819 1 75 . 1 1 153 153 LYS N N 15 . 1 1 153 153 LYS H H 1 0.8492 0.0425 . . . . . . . . . . 50819 1 76 . 1 1 154 154 GLU N N 15 . 1 1 154 154 GLU H H 1 0.7995 0.0328 . . . . . . . . . . 50819 1 77 . 1 1 155 155 ILE N N 15 . 1 1 155 155 ILE H H 1 0.8312 0.1204 . . . . . . . . . . 50819 1 78 . 1 1 157 157 ARG N N 15 . 1 1 157 157 ARG H H 1 0.7508 0.0406 . . . . . . . . . . 50819 1 79 . 1 1 160 160 ALA N N 15 . 1 1 160 160 ALA H H 1 0.8511 0.0147 . . . . . . . . . . 50819 1 80 . 1 1 162 162 GLN N N 15 . 1 1 162 162 GLN H H 1 0.8456 0.0249 . . . . . . . . . . 50819 1 81 . 1 1 165 165 LYS N N 15 . 1 1 165 165 LYS H H 1 0.6481 0.0144 . . . . . . . . . . 50819 1 82 . 1 1 167 167 MET N N 15 . 1 1 167 167 MET H H 1 0.6319 0.0362 . . . . . . . . . . 50819 1 83 . 1 1 168 168 ASP N N 15 . 1 1 168 168 ASP H H 1 0.7101 0.0371 . . . . . . . . . . 50819 1 84 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 0.8421 0.0851 . . . . . . . . . . 50819 1 85 . 1 1 171 171 VAL N N 15 . 1 1 171 171 VAL H H 1 0.8697 0.0713 . . . . . . . . . . 50819 1 86 . 1 1 177 177 THR N N 15 . 1 1 177 177 THR H H 1 0.8188 0.0123 . . . . . . . . . . 50819 1 87 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.7089 0.0592 . . . . . . . . . . 50819 1 88 . 1 1 182 182 ASP N N 15 . 1 1 182 182 ASP H H 1 0.7606 0.0207 . . . . . . . . . . 50819 1 89 . 1 1 184 184 THR N N 15 . 1 1 184 184 THR H H 1 0.6883 0.0303 . . . . . . . . . . 50819 1 90 . 1 1 185 185 GLY N N 15 . 1 1 185 185 GLY H H 1 0.7709 0.0403 . . . . . . . . . . 50819 1 91 . 1 1 186 186 SER N N 15 . 1 1 186 186 SER H H 1 0.7251 0.0644 . . . . . . . . . . 50819 1 92 . 1 1 187 187 PHE N N 15 . 1 1 187 187 PHE H H 1 0.7276 0.0266 . . . . . . . . . . 50819 1 93 . 1 1 189 189 ARG N N 15 . 1 1 189 189 ARG H H 1 0.7541 0.0382 . . . . . . . . . . 50819 1 94 . 1 1 190 190 ARG N N 15 . 1 1 190 190 ARG H H 1 0.7919 0.0128 . . . . . . . . . . 50819 1 95 . 1 1 191 191 LEU N N 15 . 1 1 191 191 LEU H H 1 0.7832 0.0655 . . . . . . . . . . 50819 1 96 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 0.7422 0.0328 . . . . . . . . . . 50819 1 97 . 1 1 197 197 ASP N N 15 . 1 1 197 197 ASP H H 1 0.8246 0.0154 . . . . . . . . . . 50819 1 98 . 1 1 199 199 ILE N N 15 . 1 1 199 199 ILE H H 1 0.8398 0.0238 . . . . . . . . . . 50819 1 99 . 1 1 204 204 ALA N N 15 . 1 1 204 204 ALA H H 1 0.4373 0.0332 . . . . . . . . . . 50819 1 100 . 1 1 206 206 ASN N N 15 . 1 1 206 206 ASN H H 1 0.088 0.0354 . . . . . . . . . . 50819 1 101 . 1 1 207 207 ALA N N 15 . 1 1 207 207 ALA H H 1 -0.4933 0.0362 . . . . . . . . . . 50819 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 50819 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name p50NTD_R1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 50819 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 50819 1 2 $software_2 . . 50819 1 3 $software_3 . . 50819 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 TYR N N 15 0.8987 0.0504 . . . . . 50819 1 2 . 1 1 4 4 LEU N N 15 0.9569 0.0462 . . . . . 50819 1 3 . 1 1 6 6 ILE N N 15 0.7765 0.0389 . . . . . 50819 1 4 . 1 1 7 7 LEU N N 15 0.8222 0.1272 . . . . . 50819 1 5 . 1 1 8 8 GLU N N 15 0.9165 0.1018 . . . . . 50819 1 6 . 1 1 9 9 GLN N N 15 0.6802 0.1097 . . . . . 50819 1 7 . 1 1 11 11 LYS N N 15 1.4562 0.2055 . . . . . 50819 1 8 . 1 1 18 18 ARG N N 15 0.9462 0.1157 . . . . . 50819 1 9 . 1 1 21 21 CYS N N 15 0.8036 0.095 . . . . . 50819 1 10 . 1 1 34 34 SER N N 15 1.4253 0.2792 . . . . . 50819 1 11 . 1 1 37 37 ASN N N 15 1.1386 0.1172 . . . . . 50819 1 12 . 1 1 38 38 LYS N N 15 1.737 0.2259 . . . . . 50819 1 13 . 1 1 39 39 LYS N N 15 1.6802 0.2748 . . . . . 50819 1 14 . 1 1 40 40 SER N N 15 1.3745 0.1725 . . . . . 50819 1 15 . 1 1 46 46 ILE N N 15 0.6554 0.1058 . . . . . 50819 1 16 . 1 1 47 47 CYS N N 15 1.0694 0.2932 . . . . . 50819 1 17 . 1 1 49 49 TYR N N 15 0.9201 0.0327 . . . . . 50819 1 18 . 1 1 50 50 VAL N N 15 0.7133 0.0355 . . . . . 50819 1 19 . 1 1 51 51 GLY N N 15 0.9468 0.0433 . . . . . 50819 1 20 . 1 1 61 61 THR N N 15 0.8407 0.1414 . . . . . 50819 1 21 . 1 1 63 63 GLY N N 15 1.1175 0.0281 . . . . . 50819 1 22 . 1 1 65 65 ASN N N 15 1.0419 0.031 . . . . . 50819 1 23 . 1 1 66 66 ILE N N 15 0.9962 0.0282 . . . . . 50819 1 24 . 1 1 67 67 HIS N N 15 1.1551 0.048 . . . . . 50819 1 25 . 1 1 68 68 LEU N N 15 0.8863 0.2218 . . . . . 50819 1 26 . 1 1 70 70 ALA N N 15 0.9966 0.0735 . . . . . 50819 1 27 . 1 1 71 71 HIS N N 15 1.0329 0.1654 . . . . . 50819 1 28 . 1 1 72 72 SER N N 15 0.9225 0.1165 . . . . . 50819 1 29 . 1 1 73 73 LEU N N 15 0.949 0.076 . . . . . 50819 1 30 . 1 1 75 75 GLY N N 15 0.8617 0.0503 . . . . . 50819 1 31 . 1 1 78 78 CYS N N 15 0.9599 0.0618 . . . . . 50819 1 32 . 1 1 79 79 GLU N N 15 0.8955 0.0322 . . . . . 50819 1 33 . 1 1 80 80 ASP N N 15 1.0392 0.0423 . . . . . 50819 1 34 . 1 1 81 81 GLY N N 15 0.9716 0.0601 . . . . . 50819 1 35 . 1 1 82 82 VAL N N 15 1.0433 0.0359 . . . . . 50819 1 36 . 1 1 83 83 CYS N N 15 0.9765 0.0759 . . . . . 50819 1 37 . 1 1 84 84 THR N N 15 0.9835 0.0464 . . . . . 50819 1 38 . 1 1 85 85 VAL N N 15 0.8619 0.0636 . . . . . 50819 1 39 . 1 1 86 86 THR N N 15 0.8985 0.0326 . . . . . 50819 1 40 . 1 1 87 87 ALA N N 15 0.8594 0.0562 . . . . . 50819 1 41 . 1 1 88 88 GLY N N 15 0.6667 0.0351 . . . . . 50819 1 42 . 1 1 90 90 LYS N N 15 1.0424 0.0319 . . . . . 50819 1 43 . 1 1 91 91 ASP N N 15 1.2401 0.0334 . . . . . 50819 1 44 . 1 1 92 92 MET N N 15 0.7732 0.0211 . . . . . 50819 1 45 . 1 1 93 93 VAL N N 15 0.8591 0.0423 . . . . . 50819 1 46 . 1 1 94 94 VAL N N 15 0.7015 0.0782 . . . . . 50819 1 47 . 1 1 95 95 GLY N N 15 0.6772 0.0484 . . . . . 50819 1 48 . 1 1 100 100 GLY N N 15 0.8663 0.1352 . . . . . 50819 1 49 . 1 1 101 101 ILE N N 15 0.7986 0.0351 . . . . . 50819 1 50 . 1 1 102 102 LEU N N 15 0.8362 0.1413 . . . . . 50819 1 51 . 1 1 110 110 PHE N N 15 0.7874 0.0403 . . . . . 50819 1 52 . 1 1 112 112 THR N N 15 1.0145 0.1212 . . . . . 50819 1 53 . 1 1 113 113 LEU N N 15 1.1457 0.2061 . . . . . 50819 1 54 . 1 1 115 115 ALA N N 15 1.1351 0.119 . . . . . 50819 1 55 . 1 1 116 116 ARG N N 15 1.0083 0.0914 . . . . . 50819 1 56 . 1 1 117 117 MET N N 15 1.0167 0.0933 . . . . . 50819 1 57 . 1 1 121 121 CYS N N 15 0.9167 0.0608 . . . . . 50819 1 58 . 1 1 123 123 ARG N N 15 0.9591 0.1019 . . . . . 50819 1 59 . 1 1 124 124 GLY N N 15 0.9352 0.0601 . . . . . 50819 1 60 . 1 1 126 126 ASN N N 15 0.8362 0.1418 . . . . . 50819 1 61 . 1 1 128 128 GLY N N 15 0.8426 0.0822 . . . . . 50819 1 62 . 1 1 129 129 LEU N N 15 0.8191 0.1043 . . . . . 50819 1 63 . 1 1 136 136 ALA N N 15 0.9896 0.0438 . . . . . 50819 1 64 . 1 1 137 137 TYR N N 15 0.9345 0.171 . . . . . 50819 1 65 . 1 1 138 138 LEU N N 15 0.9732 0.0592 . . . . . 50819 1 66 . 1 1 139 139 GLN N N 15 1.0827 0.0933 . . . . . 50819 1 67 . 1 1 142 142 GLY N N 15 1.4136 0.0436 . . . . . 50819 1 68 . 1 1 145 145 ASP N N 15 1.2708 0.0248 . . . . . 50819 1 69 . 1 1 146 146 ARG N N 15 1.1615 0.0667 . . . . . 50819 1 70 . 1 1 148 148 LEU N N 15 0.7321 0.0168 . . . . . 50819 1 71 . 1 1 149 149 THR N N 15 0.9836 0.0403 . . . . . 50819 1 72 . 1 1 150 150 ASP N N 15 1.1001 0.0407 . . . . . 50819 1 73 . 1 1 151 151 ARG N N 15 1.1339 0.0403 . . . . . 50819 1 74 . 1 1 152 152 GLU N N 15 0.9608 0.0481 . . . . . 50819 1 75 . 1 1 153 153 LYS N N 15 1.0635 0.1363 . . . . . 50819 1 76 . 1 1 154 154 GLU N N 15 0.9098 0.0321 . . . . . 50819 1 77 . 1 1 155 155 ILE N N 15 1.0273 0.0709 . . . . . 50819 1 78 . 1 1 157 157 ARG N N 15 0.9072 0.076 . . . . . 50819 1 79 . 1 1 160 160 ALA N N 15 0.8221 0.0747 . . . . . 50819 1 80 . 1 1 162 162 GLN N N 15 0.7543 0.0595 . . . . . 50819 1 81 . 1 1 165 165 LYS N N 15 0.8244 0.0594 . . . . . 50819 1 82 . 1 1 167 167 MET N N 15 0.9212 0.0592 . . . . . 50819 1 83 . 1 1 168 168 ASP N N 15 1.1274 0.0749 . . . . . 50819 1 84 . 1 1 169 169 LEU N N 15 1.041 0.0562 . . . . . 50819 1 85 . 1 1 171 171 VAL N N 15 1.1772 0.0709 . . . . . 50819 1 86 . 1 1 177 177 THR N N 15 0.7453 0.0458 . . . . . 50819 1 87 . 1 1 180 180 LEU N N 15 1.0282 0.0442 . . . . . 50819 1 88 . 1 1 182 182 ASP N N 15 1.0649 0.0385 . . . . . 50819 1 89 . 1 1 184 184 THR N N 15 1.0307 0.0642 . . . . . 50819 1 90 . 1 1 185 185 GLY N N 15 1.1307 0.0463 . . . . . 50819 1 91 . 1 1 186 186 SER N N 15 0.8888 0.0391 . . . . . 50819 1 92 . 1 1 187 187 PHE N N 15 1.0264 0.0685 . . . . . 50819 1 93 . 1 1 189 189 ARG N N 15 1.1613 0.0716 . . . . . 50819 1 94 . 1 1 190 190 ARG N N 15 0.7006 0.0423 . . . . . 50819 1 95 . 1 1 191 191 LEU N N 15 1.0238 0.1382 . . . . . 50819 1 96 . 1 1 195 195 VAL N N 15 0.6633 0.0232 . . . . . 50819 1 97 . 1 1 197 197 ASP N N 15 0.7483 0.043 . . . . . 50819 1 98 . 1 1 199 199 ILE N N 15 0.7657 0.0341 . . . . . 50819 1 99 . 1 1 204 204 ALA N N 15 1.725 0.0498 . . . . . 50819 1 100 . 1 1 206 206 ASN N N 15 1.6691 0.0507 . . . . . 50819 1 101 . 1 1 207 207 ALA N N 15 1.0427 0.0218 . . . . . 50819 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 50819 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name p50NTD_R2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 50819 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 50819 1 2 $software_2 . . 50819 1 3 $software_3 . . 50819 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 TYR N N 15 29.4749 1.2186 . . . . . . . 50819 1 2 . 1 1 4 4 LEU N N 15 26.8053 1.1436 . . . . . . . 50819 1 3 . 1 1 6 6 ILE N N 15 25.7578 1.1273 . . . . . . . 50819 1 4 . 1 1 7 7 LEU N N 15 18.6594 3.1399 . . . . . . . 50819 1 5 . 1 1 8 8 GLU N N 15 32.04 3.1722 . . . . . . . 50819 1 6 . 1 1 9 9 GLN N N 15 29.8929 3.2322 . . . . . . . 50819 1 7 . 1 1 11 11 LYS N N 15 24.3787 3.4154 . . . . . . . 50819 1 8 . 1 1 18 18 ARG N N 15 27.1581 3.772 . . . . . . . 50819 1 9 . 1 1 21 21 CYS N N 15 22.9342 2.9304 . . . . . . . 50819 1 10 . 1 1 34 34 SER N N 15 29.818 6.2998 . . . . . . . 50819 1 11 . 1 1 37 37 ASN N N 15 25.2413 2.8904 . . . . . . . 50819 1 12 . 1 1 38 38 LYS N N 15 17.7453 4.2539 . . . . . . . 50819 1 13 . 1 1 39 39 LYS N N 15 37.9329 6.269 . . . . . . . 50819 1 14 . 1 1 40 40 SER N N 15 27.3017 3.2753 . . . . . . . 50819 1 15 . 1 1 46 46 ILE N N 15 21.3953 1.7639 . . . . . . . 50819 1 16 . 1 1 47 47 CYS N N 15 33.5903 2.9926 . . . . . . . 50819 1 17 . 1 1 49 49 TYR N N 15 27.2765 0.9287 . . . . . . . 50819 1 18 . 1 1 50 50 VAL N N 15 19.0139 0.9277 . . . . . . . 50819 1 19 . 1 1 51 51 GLY N N 15 25.5698 0.9275 . . . . . . . 50819 1 20 . 1 1 61 61 THR N N 15 23.7461 1.2547 . . . . . . . 50819 1 21 . 1 1 63 63 GLY N N 15 9.7759 0.3334 . . . . . . . 50819 1 22 . 1 1 65 65 ASN N N 15 21.984 0.7454 . . . . . . . 50819 1 23 . 1 1 66 66 ILE N N 15 17.7792 0.5274 . . . . . . . 50819 1 24 . 1 1 67 67 HIS N N 15 28.2657 1.5902 . . . . . . . 50819 1 25 . 1 1 68 68 LEU N N 15 33.6372 5.8975 . . . . . . . 50819 1 26 . 1 1 70 70 ALA N N 15 22.78 1.6595 . . . . . . . 50819 1 27 . 1 1 71 71 HIS N N 15 26.7953 3.9205 . . . . . . . 50819 1 28 . 1 1 72 72 SER N N 15 25.1635 2.4012 . . . . . . . 50819 1 29 . 1 1 73 73 LEU N N 15 26.2308 2.2374 . . . . . . . 50819 1 30 . 1 1 75 75 GLY N N 15 21.5749 1.3254 . . . . . . . 50819 1 31 . 1 1 78 78 CYS N N 15 32.8579 2.3195 . . . . . . . 50819 1 32 . 1 1 79 79 GLU N N 15 21.0363 0.8391 . . . . . . . 50819 1 33 . 1 1 80 80 ASP N N 15 23.0356 0.9226 . . . . . . . 50819 1 34 . 1 1 81 81 GLY N N 15 24.5008 1.7387 . . . . . . . 50819 1 35 . 1 1 82 82 VAL N N 15 25.7723 0.8648 . . . . . . . 50819 1 36 . 1 1 83 83 CYS N N 15 20.6665 1.8032 . . . . . . . 50819 1 37 . 1 1 84 84 THR N N 15 20.6087 1.1474 . . . . . . . 50819 1 38 . 1 1 85 85 VAL N N 15 26.495 1.6718 . . . . . . . 50819 1 39 . 1 1 86 86 THR N N 15 22.7727 0.9605 . . . . . . . 50819 1 40 . 1 1 87 87 ALA N N 15 27.7833 1.3479 . . . . . . . 50819 1 41 . 1 1 88 88 GLY N N 15 15.1348 1.1917 . . . . . . . 50819 1 42 . 1 1 90 90 LYS N N 15 26.3684 0.6798 . . . . . . . 50819 1 43 . 1 1 91 91 ASP N N 15 26.6124 1.6205 . . . . . . . 50819 1 44 . 1 1 92 92 MET N N 15 17.87 0.4847 . . . . . . . 50819 1 45 . 1 1 93 93 VAL N N 15 26.4393 1.1521 . . . . . . . 50819 1 46 . 1 1 94 94 VAL N N 15 17.5864 1.6541 . . . . . . . 50819 1 47 . 1 1 95 95 GLY N N 15 17.8115 1.1439 . . . . . . . 50819 1 48 . 1 1 100 100 GLY N N 15 28.5653 4.3004 . . . . . . . 50819 1 49 . 1 1 101 101 ILE N N 15 29.5837 0.9384 . . . . . . . 50819 1 50 . 1 1 102 102 LEU N N 15 32.2027 3.8462 . . . . . . . 50819 1 51 . 1 1 110 110 PHE N N 15 29.5624 1.1057 . . . . . . . 50819 1 52 . 1 1 112 112 THR N N 15 33.4324 3.3255 . . . . . . . 50819 1 53 . 1 1 113 113 LEU N N 15 27.6646 4.3621 . . . . . . . 50819 1 54 . 1 1 115 115 ALA N N 15 29.2303 3.2692 . . . . . . . 50819 1 55 . 1 1 116 116 ARG N N 15 27.27 2.1605 . . . . . . . 50819 1 56 . 1 1 117 117 MET N N 15 31.3295 2.4093 . . . . . . . 50819 1 57 . 1 1 121 121 CYS N N 15 30.0331 2.3231 . . . . . . . 50819 1 58 . 1 1 123 123 ARG N N 15 30.9297 2.5552 . . . . . . . 50819 1 59 . 1 1 124 124 GLY N N 15 18.7162 1.6435 . . . . . . . 50819 1 60 . 1 1 126 126 ASN N N 15 34.652 4.9947 . . . . . . . 50819 1 61 . 1 1 128 128 GLY N N 15 24.1705 2.2517 . . . . . . . 50819 1 62 . 1 1 129 129 LEU N N 15 27.6145 2.954 . . . . . . . 50819 1 63 . 1 1 136 136 ALA N N 15 27.805 1.631 . . . . . . . 50819 1 64 . 1 1 137 137 TYR N N 15 38.8984 4.5646 . . . . . . . 50819 1 65 . 1 1 138 138 LEU N N 15 25.4028 1.5393 . . . . . . . 50819 1 66 . 1 1 139 139 GLN N N 15 30.0884 2.2558 . . . . . . . 50819 1 67 . 1 1 142 142 GLY N N 15 22.2021 0.8853 . . . . . . . 50819 1 68 . 1 1 145 145 ASP N N 15 17.8777 0.3397 . . . . . . . 50819 1 69 . 1 1 146 146 ARG N N 15 18.4416 1.1233 . . . . . . . 50819 1 70 . 1 1 148 148 LEU N N 15 15.9729 0.3745 . . . . . . . 50819 1 71 . 1 1 149 149 THR N N 15 23.6975 0.9419 . . . . . . . 50819 1 72 . 1 1 150 150 ASP N N 15 29.2269 1.0087 . . . . . . . 50819 1 73 . 1 1 151 151 ARG N N 15 26.7218 0.7742 . . . . . . . 50819 1 74 . 1 1 152 152 GLU N N 15 28.3746 0.965 . . . . . . . 50819 1 75 . 1 1 153 153 LYS N N 15 30.2761 1.7273 . . . . . . . 50819 1 76 . 1 1 154 154 GLU N N 15 25.5402 0.7328 . . . . . . . 50819 1 77 . 1 1 155 155 ILE N N 15 25.1528 1.4899 . . . . . . . 50819 1 78 . 1 1 157 157 ARG N N 15 27.7865 1.4466 . . . . . . . 50819 1 79 . 1 1 160 160 ALA N N 15 27.2332 1.5019 . . . . . . . 50819 1 80 . 1 1 162 162 GLN N N 15 29.8553 2.0349 . . . . . . . 50819 1 81 . 1 1 165 165 LYS N N 15 28.0587 0.8749 . . . . . . . 50819 1 82 . 1 1 167 167 MET N N 15 23.7183 1.4763 . . . . . . . 50819 1 83 . 1 1 168 168 ASP N N 15 20.9436 1.5261 . . . . . . . 50819 1 84 . 1 1 169 169 LEU N N 15 24.232 1.2057 . . . . . . . 50819 1 85 . 1 1 171 171 VAL N N 15 32.7478 2.399 . . . . . . . 50819 1 86 . 1 1 177 177 THR N N 15 27.7355 1.4174 . . . . . . . 50819 1 87 . 1 1 180 180 LEU N N 15 24.0268 0.9869 . . . . . . . 50819 1 88 . 1 1 182 182 ASP N N 15 23.327 0.7805 . . . . . . . 50819 1 89 . 1 1 184 184 THR N N 15 22.1679 1.0338 . . . . . . . 50819 1 90 . 1 1 185 185 GLY N N 15 25.62 1.2136 . . . . . . . 50819 1 91 . 1 1 186 186 SER N N 15 27.1965 0.718 . . . . . . . 50819 1 92 . 1 1 187 187 PHE N N 15 25.5226 1.293 . . . . . . . 50819 1 93 . 1 1 189 189 ARG N N 15 26.004 1.6035 . . . . . . . 50819 1 94 . 1 1 190 190 ARG N N 15 19.8867 1.0018 . . . . . . . 50819 1 95 . 1 1 191 191 LEU N N 15 21.7982 1.4601 . . . . . . . 50819 1 96 . 1 1 195 195 VAL N N 15 17.409 0.6634 . . . . . . . 50819 1 97 . 1 1 197 197 ASP N N 15 28.0868 1.5111 . . . . . . . 50819 1 98 . 1 1 199 199 ILE N N 15 28.6802 0.9155 . . . . . . . 50819 1 99 . 1 1 204 204 ALA N N 15 17.2266 0.5566 . . . . . . . 50819 1 100 . 1 1 206 206 ASN N N 15 11.8224 0.409 . . . . . . . 50819 1 101 . 1 1 207 207 ALA N N 15 4.2742 0.2514 . . . . . . . 50819 1 stop_ save_