data_51161 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51161 _Entry.Title ; Backbone assignments of p65 DNA binding domain in complex with DNA. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-29 _Entry.Accession_date 2021-10-29 _Entry.Last_release_date 2021-10-31 _Entry.Original_release_date 2021-10-31 _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 1 _Entry.Generated_software_label $software_1 _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 Amrinder Singh . . . . 51161 2 Maria Martinez-Yamout . . . . 51161 3 Peter Wright . . . . 51161 4 Jane Dyson . . . . 51161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 134 51161 '1H chemical shifts' 134 51161 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-04 2021-10-29 update BMRB 'update entry citation' 51161 1 . . 2021-11-04 2021-10-29 original author 'original release' 51161 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51161 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35171557 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interactions of a Long Noncoding RNA with Domains of NF-kB and IkBa: Implications for the Inhibition of Non-Signal-Related Phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 367 _Citation.Page_last 376 _Citation.Year 2022 _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 Amrinder Singh . . . . 51161 1 2 Maria Martinez-Yamout . . . . 51161 1 3 Peter Wright . . . . 51161 1 4 Jane Dyson . . . . 51161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51161 _Assembly.ID 1 _Assembly.Name 'p65 DNA binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . _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 'p65 DBD' 1 $entity_1 . . yes native no no . . . 51161 1 2 'DNA chain 1' 2 $entity_2 . . no native no no . . . 51161 1 3 'DNA chain 2' 2 $entity_2 . . no native no no . . . 51161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51161 _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 ; AYVEIIEQPKQRGMRFRYKC EGRSAGSIPGERSTDTTKTH PTIKINGYTGPGTVRISLVT KDPPHRPHPHELVGKDCRDG YYEADLCPDRSIHSFQNLGI QCVKKRDLEQAISQRIQTNN NPFHVPIEEQRGDYDLNAVR LCFQVTVRDPAGRPLLLTPV LSHPIFDNRAPNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 19-191 _Entity.Polymer_author_seq_details 'The sequence starts from 19.' _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 173 _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 19 ALA . 51161 1 2 20 TYR . 51161 1 3 21 VAL . 51161 1 4 22 GLU . 51161 1 5 23 ILE . 51161 1 6 24 ILE . 51161 1 7 25 GLU . 51161 1 8 26 GLN . 51161 1 9 27 PRO . 51161 1 10 28 LYS . 51161 1 11 29 GLN . 51161 1 12 30 ARG . 51161 1 13 31 GLY . 51161 1 14 32 MET . 51161 1 15 33 ARG . 51161 1 16 34 PHE . 51161 1 17 35 ARG . 51161 1 18 36 TYR . 51161 1 19 37 LYS . 51161 1 20 38 CYS . 51161 1 21 39 GLU . 51161 1 22 40 GLY . 51161 1 23 41 ARG . 51161 1 24 42 SER . 51161 1 25 43 ALA . 51161 1 26 44 GLY . 51161 1 27 45 SER . 51161 1 28 46 ILE . 51161 1 29 47 PRO . 51161 1 30 48 GLY . 51161 1 31 49 GLU . 51161 1 32 50 ARG . 51161 1 33 51 SER . 51161 1 34 52 THR . 51161 1 35 53 ASP . 51161 1 36 54 THR . 51161 1 37 55 THR . 51161 1 38 56 LYS . 51161 1 39 57 THR . 51161 1 40 58 HIS . 51161 1 41 59 PRO . 51161 1 42 60 THR . 51161 1 43 61 ILE . 51161 1 44 62 LYS . 51161 1 45 63 ILE . 51161 1 46 64 ASN . 51161 1 47 65 GLY . 51161 1 48 66 TYR . 51161 1 49 67 THR . 51161 1 50 68 GLY . 51161 1 51 69 PRO . 51161 1 52 70 GLY . 51161 1 53 71 THR . 51161 1 54 72 VAL . 51161 1 55 73 ARG . 51161 1 56 74 ILE . 51161 1 57 75 SER . 51161 1 58 76 LEU . 51161 1 59 77 VAL . 51161 1 60 78 THR . 51161 1 61 79 LYS . 51161 1 62 80 ASP . 51161 1 63 81 PRO . 51161 1 64 82 PRO . 51161 1 65 83 HIS . 51161 1 66 84 ARG . 51161 1 67 85 PRO . 51161 1 68 86 HIS . 51161 1 69 87 PRO . 51161 1 70 88 HIS . 51161 1 71 89 GLU . 51161 1 72 90 LEU . 51161 1 73 91 VAL . 51161 1 74 92 GLY . 51161 1 75 93 LYS . 51161 1 76 94 ASP . 51161 1 77 95 CYS . 51161 1 78 96 ARG . 51161 1 79 97 ASP . 51161 1 80 98 GLY . 51161 1 81 99 TYR . 51161 1 82 100 TYR . 51161 1 83 101 GLU . 51161 1 84 102 ALA . 51161 1 85 103 ASP . 51161 1 86 104 LEU . 51161 1 87 105 CYS . 51161 1 88 106 PRO . 51161 1 89 107 ASP . 51161 1 90 108 ARG . 51161 1 91 109 SER . 51161 1 92 110 ILE . 51161 1 93 111 HIS . 51161 1 94 112 SER . 51161 1 95 113 PHE . 51161 1 96 114 GLN . 51161 1 97 115 ASN . 51161 1 98 116 LEU . 51161 1 99 117 GLY . 51161 1 100 118 ILE . 51161 1 101 119 GLN . 51161 1 102 120 CYS . 51161 1 103 121 VAL . 51161 1 104 122 LYS . 51161 1 105 123 LYS . 51161 1 106 124 ARG . 51161 1 107 125 ASP . 51161 1 108 126 LEU . 51161 1 109 127 GLU . 51161 1 110 128 GLN . 51161 1 111 129 ALA . 51161 1 112 130 ILE . 51161 1 113 131 SER . 51161 1 114 132 GLN . 51161 1 115 133 ARG . 51161 1 116 134 ILE . 51161 1 117 135 GLN . 51161 1 118 136 THR . 51161 1 119 137 ASN . 51161 1 120 138 ASN . 51161 1 121 139 ASN . 51161 1 122 140 PRO . 51161 1 123 141 PHE . 51161 1 124 142 HIS . 51161 1 125 143 VAL . 51161 1 126 144 PRO . 51161 1 127 145 ILE . 51161 1 128 146 GLU . 51161 1 129 147 GLU . 51161 1 130 148 GLN . 51161 1 131 149 ARG . 51161 1 132 150 GLY . 51161 1 133 151 ASP . 51161 1 134 152 TYR . 51161 1 135 153 ASP . 51161 1 136 154 LEU . 51161 1 137 155 ASN . 51161 1 138 156 ALA . 51161 1 139 157 VAL . 51161 1 140 158 ARG . 51161 1 141 159 LEU . 51161 1 142 160 CYS . 51161 1 143 161 PHE . 51161 1 144 162 GLN . 51161 1 145 163 VAL . 51161 1 146 164 THR . 51161 1 147 165 VAL . 51161 1 148 166 ARG . 51161 1 149 167 ASP . 51161 1 150 168 PRO . 51161 1 151 169 ALA . 51161 1 152 170 GLY . 51161 1 153 171 ARG . 51161 1 154 172 PRO . 51161 1 155 173 LEU . 51161 1 156 174 LEU . 51161 1 157 175 LEU . 51161 1 158 176 THR . 51161 1 159 177 PRO . 51161 1 160 178 VAL . 51161 1 161 179 LEU . 51161 1 162 180 SER . 51161 1 163 181 HIS . 51161 1 164 182 PRO . 51161 1 165 183 ILE . 51161 1 166 184 PHE . 51161 1 167 185 ASP . 51161 1 168 186 ASN . 51161 1 169 187 ARG . 51161 1 170 188 ALA . 51161 1 171 189 PRO . 51161 1 172 190 ASN . 51161 1 173 191 THR . 51161 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 . ALA 1 1 51161 1 . TYR 2 2 51161 1 . VAL 3 3 51161 1 . GLU 4 4 51161 1 . ILE 5 5 51161 1 . ILE 6 6 51161 1 . GLU 7 7 51161 1 . GLN 8 8 51161 1 . PRO 9 9 51161 1 . LYS 10 10 51161 1 . GLN 11 11 51161 1 . ARG 12 12 51161 1 . GLY 13 13 51161 1 . MET 14 14 51161 1 . ARG 15 15 51161 1 . PHE 16 16 51161 1 . ARG 17 17 51161 1 . TYR 18 18 51161 1 . LYS 19 19 51161 1 . CYS 20 20 51161 1 . GLU 21 21 51161 1 . GLY 22 22 51161 1 . ARG 23 23 51161 1 . SER 24 24 51161 1 . ALA 25 25 51161 1 . GLY 26 26 51161 1 . SER 27 27 51161 1 . ILE 28 28 51161 1 . PRO 29 29 51161 1 . GLY 30 30 51161 1 . GLU 31 31 51161 1 . ARG 32 32 51161 1 . SER 33 33 51161 1 . THR 34 34 51161 1 . ASP 35 35 51161 1 . THR 36 36 51161 1 . THR 37 37 51161 1 . LYS 38 38 51161 1 . THR 39 39 51161 1 . HIS 40 40 51161 1 . PRO 41 41 51161 1 . THR 42 42 51161 1 . ILE 43 43 51161 1 . LYS 44 44 51161 1 . ILE 45 45 51161 1 . ASN 46 46 51161 1 . GLY 47 47 51161 1 . TYR 48 48 51161 1 . THR 49 49 51161 1 . GLY 50 50 51161 1 . PRO 51 51 51161 1 . GLY 52 52 51161 1 . THR 53 53 51161 1 . VAL 54 54 51161 1 . ARG 55 55 51161 1 . ILE 56 56 51161 1 . SER 57 57 51161 1 . LEU 58 58 51161 1 . VAL 59 59 51161 1 . THR 60 60 51161 1 . LYS 61 61 51161 1 . ASP 62 62 51161 1 . PRO 63 63 51161 1 . PRO 64 64 51161 1 . HIS 65 65 51161 1 . ARG 66 66 51161 1 . PRO 67 67 51161 1 . HIS 68 68 51161 1 . PRO 69 69 51161 1 . HIS 70 70 51161 1 . GLU 71 71 51161 1 . LEU 72 72 51161 1 . VAL 73 73 51161 1 . GLY 74 74 51161 1 . LYS 75 75 51161 1 . ASP 76 76 51161 1 . CYS 77 77 51161 1 . ARG 78 78 51161 1 . ASP 79 79 51161 1 . GLY 80 80 51161 1 . TYR 81 81 51161 1 . TYR 82 82 51161 1 . GLU 83 83 51161 1 . ALA 84 84 51161 1 . ASP 85 85 51161 1 . LEU 86 86 51161 1 . CYS 87 87 51161 1 . PRO 88 88 51161 1 . ASP 89 89 51161 1 . ARG 90 90 51161 1 . SER 91 91 51161 1 . ILE 92 92 51161 1 . HIS 93 93 51161 1 . SER 94 94 51161 1 . PHE 95 95 51161 1 . GLN 96 96 51161 1 . ASN 97 97 51161 1 . LEU 98 98 51161 1 . GLY 99 99 51161 1 . ILE 100 100 51161 1 . GLN 101 101 51161 1 . CYS 102 102 51161 1 . VAL 103 103 51161 1 . LYS 104 104 51161 1 . LYS 105 105 51161 1 . ARG 106 106 51161 1 . ASP 107 107 51161 1 . LEU 108 108 51161 1 . GLU 109 109 51161 1 . GLN 110 110 51161 1 . ALA 111 111 51161 1 . ILE 112 112 51161 1 . SER 113 113 51161 1 . GLN 114 114 51161 1 . ARG 115 115 51161 1 . ILE 116 116 51161 1 . GLN 117 117 51161 1 . THR 118 118 51161 1 . ASN 119 119 51161 1 . ASN 120 120 51161 1 . ASN 121 121 51161 1 . PRO 122 122 51161 1 . PHE 123 123 51161 1 . HIS 124 124 51161 1 . VAL 125 125 51161 1 . PRO 126 126 51161 1 . ILE 127 127 51161 1 . GLU 128 128 51161 1 . GLU 129 129 51161 1 . GLN 130 130 51161 1 . ARG 131 131 51161 1 . GLY 132 132 51161 1 . ASP 133 133 51161 1 . TYR 134 134 51161 1 . ASP 135 135 51161 1 . LEU 136 136 51161 1 . ASN 137 137 51161 1 . ALA 138 138 51161 1 . VAL 139 139 51161 1 . ARG 140 140 51161 1 . LEU 141 141 51161 1 . CYS 142 142 51161 1 . PHE 143 143 51161 1 . GLN 144 144 51161 1 . VAL 145 145 51161 1 . THR 146 146 51161 1 . VAL 147 147 51161 1 . ARG 148 148 51161 1 . ASP 149 149 51161 1 . PRO 150 150 51161 1 . ALA 151 151 51161 1 . GLY 152 152 51161 1 . ARG 153 153 51161 1 . PRO 154 154 51161 1 . LEU 155 155 51161 1 . LEU 156 156 51161 1 . LEU 157 157 51161 1 . THR 158 158 51161 1 . PRO 159 159 51161 1 . VAL 160 160 51161 1 . LEU 161 161 51161 1 . SER 162 162 51161 1 . HIS 163 163 51161 1 . PRO 164 164 51161 1 . ILE 165 165 51161 1 . PHE 166 166 51161 1 . ASP 167 167 51161 1 . ASN 168 168 51161 1 . ARG 169 169 51161 1 . ALA 170 170 51161 1 . PRO 171 171 51161 1 . ASN 172 172 51161 1 . THR 173 173 51161 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51161 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATCTGGGAATTCCCAGAT ; _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 'It is palindromic.' _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 . DA . 51161 2 2 . DT . 51161 2 3 . DC . 51161 2 4 . DT . 51161 2 5 . DG . 51161 2 6 . DG . 51161 2 7 . DG . 51161 2 8 . DA . 51161 2 9 . DA . 51161 2 10 . DT . 51161 2 11 . DT . 51161 2 12 . DC . 51161 2 13 . DC . 51161 2 14 . DC . 51161 2 15 . DA . 51161 2 16 . DG . 51161 2 17 . DA . 51161 2 18 . DT . 51161 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DA 1 1 51161 2 . DT 2 2 51161 2 . DC 3 3 51161 2 . DT 4 4 51161 2 . DG 5 5 51161 2 . DG 6 6 51161 2 . DG 7 7 51161 2 . DA 8 8 51161 2 . DA 9 9 51161 2 . DT 10 10 51161 2 . DT 11 11 51161 2 . DC 12 12 51161 2 . DC 13 13 51161 2 . DC 14 14 51161 2 . DA 15 15 51161 2 . DG 16 16 51161 2 . DA 17 17 51161 2 . DT 18 18 51161 2 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 51161 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51161 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 51161 _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 . . . plasmid . . pET22b . . . 51161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51161 _Sample.ID 1 _Sample.Name p65DBD:DNA _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 p65DBD '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 350 . . uM . . . . 51161 1 2 DNA 'natural abundance' . . 2 $entity_2 . . 350 . . uM . . . . 51161 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51161 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 51161 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 51161 1 pH 6.8 . pH 51161 1 temperature 300 . K 51161 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51161 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51161 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51161 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51161 1 2 '3D HNCA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51161 1 3 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51161 1 4 '3D HN(CO)CA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51161 1 5 '3D HN(CO)CACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51161 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' ref_HSQC_drx800.zip . 'Time-domain (raw spectral data)' . . 51161 1 2 '3D HNCA' 3D_data_p65DBD_DNA.zip . 'Time-domain (raw spectral data)' . . 51161 1 3 '3D HNCACB' 3D_data_p65DBD_DNA.zip . 'Time-domain (raw spectral data)' . . 51161 1 4 '3D HN(CO)CA' 3D_data_p65DBD_DNA.zip . 'Time-domain (raw spectral data)' . . 51161 1 5 '3D HN(CO)CACB' 3D_data_p65DBD_DNA.zip . 'Time-domain (raw spectral data)' . . 51161 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51161 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'p65DBD:DNA assignments' _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 H 1 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 51161 1 N 15 water protons . . . . ppm 4.7 internal direct . . . . . . 51161 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name p65DBD:DNA _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 $chem_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 2 '3D HNCA' . . . 51161 1 3 '3D HNCACB' . . . 51161 1 4 '3D HN(CO)CA' . . . 51161 1 5 '3D HN(CO)CACB' . . . 51161 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51161 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 GLU H H 1 8.95 0.01 . 1 . . . . . 22 GLU HN . 51161 1 2 . 1 . 1 4 4 GLU N N 15 124.92 0.01 . 1 . . . . . 22 GLU N . 51161 1 3 . 1 . 1 5 5 ILE H H 1 9.15 0.01 . 1 . . . . . 23 ILE HN . 51161 1 4 . 1 . 1 5 5 ILE N N 15 124.62 0.01 . 1 . . . . . 23 ILE N . 51161 1 5 . 1 . 1 6 6 ILE H H 1 7.90 0.01 . 1 . . . . . 24 ILE HN . 51161 1 6 . 1 . 1 6 6 ILE N N 15 124.32 0.01 . 1 . . . . . 24 ILE N . 51161 1 7 . 1 . 1 7 7 GLU H H 1 7.62 0.01 . 1 . . . . . 25 GLU HN . 51161 1 8 . 1 . 1 7 7 GLU N N 15 122.73 0.01 . 1 . . . . . 25 GLU N . 51161 1 9 . 1 . 1 8 8 GLN H H 1 9.11 0.01 . 1 . . . . . 26 GLN HN . 51161 1 10 . 1 . 1 8 8 GLN N N 15 126.82 0.01 . 1 . . . . . 26 GLN N . 51161 1 11 . 1 . 1 10 10 LYS H H 1 8.55 0.01 . 1 . . . . . 28 LYS HN . 51161 1 12 . 1 . 1 10 10 LYS N N 15 123.85 0.01 . 1 . . . . . 28 LYS N . 51161 1 13 . 1 . 1 11 11 GLN H H 1 8.77 0.01 . 1 . . . . . 29 GLN HN . 51161 1 14 . 1 . 1 11 11 GLN N N 15 124.05 0.01 . 1 . . . . . 29 GLN N . 51161 1 15 . 1 . 1 12 12 ARG H H 1 7.90 0.01 . 1 . . . . . 30 ARG HN . 51161 1 16 . 1 . 1 12 12 ARG N N 15 115.22 0.01 . 1 . . . . . 30 ARG N . 51161 1 17 . 1 . 1 13 13 GLY H H 1 8.72 0.01 . 1 . . . . . 31 GLY HN . 51161 1 18 . 1 . 1 13 13 GLY N N 15 108.87 0.01 . 1 . . . . . 31 GLY N . 51161 1 19 . 1 . 1 14 14 MET H H 1 8.42 0.01 . 1 . . . . . 32 MET HN . 51161 1 20 . 1 . 1 14 14 MET N N 15 121.76 0.01 . 1 . . . . . 32 MET N . 51161 1 21 . 1 . 1 15 15 ARG H H 1 8.47 0.01 . 1 . . . . . 33 ARG HN . 51161 1 22 . 1 . 1 15 15 ARG N N 15 124.31 0.01 . 1 . . . . . 33 ARG N . 51161 1 23 . 1 . 1 16 16 PHE H H 1 9.12 0.01 . 1 . . . . . 34 PHE HN . 51161 1 24 . 1 . 1 16 16 PHE N N 15 128.11 0.01 . 1 . . . . . 34 PHE N . 51161 1 25 . 1 . 1 17 17 ARG H H 1 7.93 0.01 . 1 . . . . . 35 ARG HN . 51161 1 26 . 1 . 1 17 17 ARG N N 15 121.65 0.01 . 1 . . . . . 35 ARG N . 51161 1 27 . 1 . 1 24 24 SER H H 1 8.52 0.01 . 1 . . . . . 42 SER HN . 51161 1 28 . 1 . 1 24 24 SER N N 15 117.28 0.01 . 1 . . . . . 42 SER N . 51161 1 29 . 1 . 1 25 25 ALA H H 1 8.22 0.01 . 1 . . . . . 43 ALA HN . 51161 1 30 . 1 . 1 25 25 ALA N N 15 124.61 0.01 . 1 . . . . . 43 ALA N . 51161 1 31 . 1 . 1 26 26 GLY H H 1 7.96 0.01 . 1 . . . . . 44 GLY HN . 51161 1 32 . 1 . 1 26 26 GLY N N 15 107.33 0.01 . 1 . . . . . 44 GLY N . 51161 1 33 . 1 . 1 27 27 SER H H 1 8.09 0.01 . 1 . . . . . 45 SER HN . 51161 1 34 . 1 . 1 27 27 SER N N 15 114.08 0.01 . 1 . . . . . 45 SER N . 51161 1 35 . 1 . 1 30 30 GLY H H 1 7.82 0.01 . 1 . . . . . 48 GLY HN . 51161 1 36 . 1 . 1 30 30 GLY N N 15 106.89 0.01 . 1 . . . . . 48 GLY N . 51161 1 37 . 1 . 1 31 31 GLU H H 1 8.62 0.01 . 1 . . . . . 49 GLU HN . 51161 1 38 . 1 . 1 31 31 GLU N N 15 121.49 0.01 . 1 . . . . . 49 GLU N . 51161 1 39 . 1 . 1 32 32 ARG H H 1 9.38 0.01 . 1 . . . . . 50 ARG HN . 51161 1 40 . 1 . 1 32 32 ARG N N 15 118.75 0.01 . 1 . . . . . 50 ARG N . 51161 1 41 . 1 . 1 33 33 SER H H 1 7.47 0.01 . 1 . . . . . 51 SER HN . 51161 1 42 . 1 . 1 33 33 SER N N 15 117.02 0.01 . 1 . . . . . 51 SER N . 51161 1 43 . 1 . 1 34 34 THR H H 1 8.63 0.01 . 1 . . . . . 52 THR HN . 51161 1 44 . 1 . 1 34 34 THR N N 15 117.99 0.01 . 1 . . . . . 52 THR N . 51161 1 45 . 1 . 1 35 35 ASP H H 1 8.62 0.01 . 1 . . . . . 53 ASP HN . 51161 1 46 . 1 . 1 35 35 ASP N N 15 116.77 0.01 . 1 . . . . . 53 ASP N . 51161 1 47 . 1 . 1 36 36 THR H H 1 7.75 0.01 . 1 . . . . . 54 THR HN . 51161 1 48 . 1 . 1 36 36 THR N N 15 107.55 0.01 . 1 . . . . . 54 THR N . 51161 1 49 . 1 . 1 37 37 THR H H 1 7.50 0.01 . 1 . . . . . 55 THR HN . 51161 1 50 . 1 . 1 37 37 THR N N 15 119.85 0.01 . 1 . . . . . 55 THR N . 51161 1 51 . 1 . 1 38 38 LYS H H 1 8.70 0.01 . 1 . . . . . 56 LYS HN . 51161 1 52 . 1 . 1 38 38 LYS N N 15 128.46 0.01 . 1 . . . . . 56 LYS N . 51161 1 53 . 1 . 1 39 39 THR H H 1 7.95 0.01 . 1 . . . . . 57 THR HN . 51161 1 54 . 1 . 1 39 39 THR N N 15 114.88 0.01 . 1 . . . . . 57 THR N . 51161 1 55 . 1 . 1 40 40 HIS H H 1 8.20 0.01 . 1 . . . . . 58 HIS HN . 51161 1 56 . 1 . 1 40 40 HIS N N 15 117.17 0.01 . 1 . . . . . 58 HIS N . 51161 1 57 . 1 . 1 42 42 THR H H 1 8.87 0.01 . 1 . . . . . 60 THR HN . 51161 1 58 . 1 . 1 42 42 THR N N 15 119.20 0.01 . 1 . . . . . 60 THR N . 51161 1 59 . 1 . 1 43 43 ILE H H 1 9.18 0.01 . 1 . . . . . 61 ILE HN . 51161 1 60 . 1 . 1 43 43 ILE N N 15 119.27 0.01 . 1 . . . . . 61 ILE N . 51161 1 61 . 1 . 1 44 44 LYS H H 1 9.22 0.01 . 1 . . . . . 62 LYS HN . 51161 1 62 . 1 . 1 44 44 LYS N N 15 121.88 0.01 . 1 . . . . . 62 LYS N . 51161 1 63 . 1 . 1 45 45 ILE H H 1 8.83 0.01 . 1 . . . . . 63 ILE HN . 51161 1 64 . 1 . 1 45 45 ILE N N 15 125.77 0.01 . 1 . . . . . 63 ILE N . 51161 1 65 . 1 . 1 46 46 ASN H H 1 8.69 0.01 . 1 . . . . . 64 ASN HN . 51161 1 66 . 1 . 1 46 46 ASN N N 15 126.11 0.01 . 1 . . . . . 64 ASN N . 51161 1 67 . 1 . 1 48 48 TYR H H 1 7.35 0.01 . 1 . . . . . 66 TYR HN . 51161 1 68 . 1 . 1 48 48 TYR N N 15 118.28 0.01 . 1 . . . . . 66 TYR N . 51161 1 69 . 1 . 1 49 49 THR H H 1 7.23 0.01 . 1 . . . . . 67 THR HN . 51161 1 70 . 1 . 1 49 49 THR N N 15 122.83 0.01 . 1 . . . . . 67 THR N . 51161 1 71 . 1 . 1 50 50 GLY H H 1 8.14 0.01 . 1 . . . . . 68 GLY HN . 51161 1 72 . 1 . 1 50 50 GLY N N 15 113.04 0.01 . 1 . . . . . 68 GLY N . 51161 1 73 . 1 . 1 52 52 GLY H H 1 8.39 0.01 . 1 . . . . . 70 GLY HN . 51161 1 74 . 1 . 1 52 52 GLY N N 15 106.30 0.01 . 1 . . . . . 70 GLY N . 51161 1 75 . 1 . 1 53 53 THR H H 1 9.20 0.01 . 1 . . . . . 71 THR HN . 51161 1 76 . 1 . 1 53 53 THR N N 15 116.01 0.01 . 1 . . . . . 71 THR N . 51161 1 77 . 1 . 1 54 54 VAL H H 1 9.11 0.01 . 1 . . . . . 72 VAL HN . 51161 1 78 . 1 . 1 54 54 VAL N N 15 122.00 0.01 . 1 . . . . . 72 VAL N . 51161 1 79 . 1 . 1 55 55 ARG H H 1 8.78 0.01 . 1 . . . . . 73 ARG HN . 51161 1 80 . 1 . 1 55 55 ARG N N 15 127.23 0.01 . 1 . . . . . 73 ARG N . 51161 1 81 . 1 . 1 56 56 ILE H H 1 9.43 0.01 . 1 . . . . . 74 ILE HN . 51161 1 82 . 1 . 1 56 56 ILE N N 15 126.54 0.01 . 1 . . . . . 74 ILE N . 51161 1 83 . 1 . 1 57 57 SER H H 1 8.23 0.01 . 1 . . . . . 75 SER HN . 51161 1 84 . 1 . 1 57 57 SER N N 15 119.63 0.01 . 1 . . . . . 75 SER N . 51161 1 85 . 1 . 1 58 58 LEU H H 1 8.82 0.01 . 1 . . . . . 76 LEU HN . 51161 1 86 . 1 . 1 58 58 LEU N N 15 118.77 0.01 . 1 . . . . . 76 LEU N . 51161 1 87 . 1 . 1 59 59 VAL H H 1 8.65 0.01 . 1 . . . . . 77 VAL HN . 51161 1 88 . 1 . 1 59 59 VAL N N 15 114.70 0.01 . 1 . . . . . 77 VAL N . 51161 1 89 . 1 . 1 60 60 THR H H 1 8.58 0.01 . 1 . . . . . 78 THR HN . 51161 1 90 . 1 . 1 60 60 THR N N 15 108.77 0.01 . 1 . . . . . 78 THR N . 51161 1 91 . 1 . 1 62 62 ASP H H 1 8.37 0.01 . 1 . . . . . 80 ASP HN . 51161 1 92 . 1 . 1 62 62 ASP N N 15 117.62 0.01 . 1 . . . . . 80 ASP N . 51161 1 93 . 1 . 1 65 65 HIS H H 1 8.71 0.01 . 1 . . . . . 83 HIS HN . 51161 1 94 . 1 . 1 65 65 HIS N N 15 120.79 0.01 . 1 . . . . . 83 HIS N . 51161 1 95 . 1 . 1 68 68 HIS H H 1 8.22 0.01 . 1 . . . . . 86 HIS HN . 51161 1 96 . 1 . 1 68 68 HIS N N 15 114.05 0.01 . 1 . . . . . 86 HIS N . 51161 1 97 . 1 . 1 70 70 HIS H H 1 10.18 0.01 . 1 . . . . . 88 HIS HN . 51161 1 98 . 1 . 1 70 70 HIS N N 15 119.21 0.01 . 1 . . . . . 88 HIS N . 51161 1 99 . 1 . 1 71 71 GLU H H 1 8.29 0.01 . 1 . . . . . 89 GLU HN . 51161 1 100 . 1 . 1 71 71 GLU N N 15 114.13 0.01 . 1 . . . . . 89 GLU N . 51161 1 101 . 1 . 1 72 72 LEU H H 1 7.49 0.01 . 1 . . . . . 90 LEU HN . 51161 1 102 . 1 . 1 72 72 LEU N N 15 121.84 0.01 . 1 . . . . . 90 LEU N . 51161 1 103 . 1 . 1 73 73 VAL H H 1 8.29 0.01 . 1 . . . . . 91 VAL HN . 51161 1 104 . 1 . 1 73 73 VAL N N 15 115.06 0.01 . 1 . . . . . 91 VAL N . 51161 1 105 . 1 . 1 74 74 GLY H H 1 7.89 0.01 . 1 . . . . . 92 GLY HN . 51161 1 106 . 1 . 1 74 74 GLY N N 15 106.04 0.01 . 1 . . . . . 92 GLY N . 51161 1 107 . 1 . 1 75 75 LYS H H 1 8.09 0.01 . 1 . . . . . 93 LYS HN . 51161 1 108 . 1 . 1 75 75 LYS N N 15 121.56 0.01 . 1 . . . . . 93 LYS N . 51161 1 109 . 1 . 1 77 77 CYS H H 1 7.57 0.01 . 1 . . . . . 95 CYS HN . 51161 1 110 . 1 . 1 77 77 CYS N N 15 113.17 0.01 . 1 . . . . . 95 CYS N . 51161 1 111 . 1 . 1 78 78 ARG H H 1 8.87 0.01 . 1 . . . . . 96 ARG HN . 51161 1 112 . 1 . 1 78 78 ARG N N 15 122.82 0.01 . 1 . . . . . 96 ARG N . 51161 1 113 . 1 . 1 79 79 ASP H H 1 8.71 0.01 . 1 . . . . . 97 ASP HN . 51161 1 114 . 1 . 1 79 79 ASP N N 15 116.18 0.01 . 1 . . . . . 97 ASP N . 51161 1 115 . 1 . 1 80 80 GLY H H 1 8.47 0.01 . 1 . . . . . 98 GLY HN . 51161 1 116 . 1 . 1 80 80 GLY N N 15 101.95 0.01 . 1 . . . . . 98 GLY N . 51161 1 117 . 1 . 1 81 81 TYR H H 1 8.04 0.01 . 1 . . . . . 99 TYR HN . 51161 1 118 . 1 . 1 81 81 TYR N N 15 120.06 0.01 . 1 . . . . . 99 TYR N . 51161 1 119 . 1 . 1 82 82 TYR H H 1 8.80 0.01 . 1 . . . . . 100 TYR HN . 51161 1 120 . 1 . 1 82 82 TYR N N 15 120.94 0.01 . 1 . . . . . 100 TYR N . 51161 1 121 . 1 . 1 83 83 GLU H H 1 7.83 0.01 . 1 . . . . . 101 GLU HN . 51161 1 122 . 1 . 1 83 83 GLU N N 15 127.71 0.01 . 1 . . . . . 101 GLU N . 51161 1 123 . 1 . 1 84 84 ALA H H 1 8.50 0.01 . 1 . . . . . 102 ALA HN . 51161 1 124 . 1 . 1 84 84 ALA N N 15 126.54 0.01 . 1 . . . . . 102 ALA N . 51161 1 125 . 1 . 1 85 85 ASP H H 1 8.27 0.01 . 1 . . . . . 103 ASP HN . 51161 1 126 . 1 . 1 85 85 ASP N N 15 118.03 0.01 . 1 . . . . . 103 ASP N . 51161 1 127 . 1 . 1 86 86 LEU H H 1 8.26 0.01 . 1 . . . . . 104 LEU HN . 51161 1 128 . 1 . 1 86 86 LEU N N 15 121.90 0.01 . 1 . . . . . 104 LEU N . 51161 1 129 . 1 . 1 89 89 ASP H H 1 7.77 0.01 . 1 . . . . . 107 ASP HN . 51161 1 130 . 1 . 1 89 89 ASP N N 15 115.76 0.01 . 1 . . . . . 107 ASP N . 51161 1 131 . 1 . 1 90 90 ARG H H 1 7.32 0.01 . 1 . . . . . 108 ARG HN . 51161 1 132 . 1 . 1 90 90 ARG N N 15 115.92 0.01 . 1 . . . . . 108 ARG N . 51161 1 133 . 1 . 1 91 91 SER H H 1 8.39 0.01 . 1 . . . . . 109 SER HN . 51161 1 134 . 1 . 1 91 91 SER N N 15 111.80 0.01 . 1 . . . . . 109 SER N . 51161 1 135 . 1 . 1 93 93 HIS H H 1 8.61 0.01 . 1 . . . . . 111 HIS HN . 51161 1 136 . 1 . 1 93 93 HIS N N 15 124.95 0.01 . 1 . . . . . 111 HIS N . 51161 1 137 . 1 . 1 94 94 SER H H 1 8.49 0.01 . 1 . . . . . 112 SER HN . 51161 1 138 . 1 . 1 94 94 SER N N 15 119.00 0.01 . 1 . . . . . 112 SER N . 51161 1 139 . 1 . 1 95 95 PHE H H 1 7.70 0.01 . 1 . . . . . 113 PHE HN . 51161 1 140 . 1 . 1 95 95 PHE N N 15 120.78 0.01 . 1 . . . . . 113 PHE N . 51161 1 141 . 1 . 1 96 96 GLN H H 1 8.21 0.01 . 1 . . . . . 114 GLN HN . 51161 1 142 . 1 . 1 96 96 GLN N N 15 120.63 0.01 . 1 . . . . . 114 GLN N . 51161 1 143 . 1 . 1 99 99 GLY H H 1 8.46 0.01 . 1 . . . . . 117 GLY HN . 51161 1 144 . 1 . 1 99 99 GLY N N 15 108.60 0.01 . 1 . . . . . 117 GLY N . 51161 1 145 . 1 . 1 100 100 ILE H H 1 7.65 0.01 . 1 . . . . . 118 ILE HN . 51161 1 146 . 1 . 1 100 100 ILE N N 15 117.63 0.01 . 1 . . . . . 118 ILE N . 51161 1 147 . 1 . 1 101 101 GLN H H 1 9.24 0.01 . 1 . . . . . 119 GLN HN . 51161 1 148 . 1 . 1 101 101 GLN N N 15 130.46 0.01 . 1 . . . . . 119 GLN N . 51161 1 149 . 1 . 1 102 102 CYS H H 1 8.15 0.01 . 1 . . . . . 120 CYS HN . 51161 1 150 . 1 . 1 102 102 CYS N N 15 123.17 0.01 . 1 . . . . . 120 CYS N . 51161 1 151 . 1 . 1 103 103 VAL H H 1 8.75 0.01 . 1 . . . . . 121 VAL HN . 51161 1 152 . 1 . 1 103 103 VAL N N 15 123.83 0.01 . 1 . . . . . 121 VAL N . 51161 1 153 . 1 . 1 104 104 LYS H H 1 8.37 0.01 . 1 . . . . . 122 LYS HN . 51161 1 154 . 1 . 1 104 104 LYS N N 15 121.67 0.01 . 1 . . . . . 122 LYS N . 51161 1 155 . 1 . 1 105 105 LYS H H 1 8.55 0.01 . 1 . . . . . 123 LYS HN . 51161 1 156 . 1 . 1 105 105 LYS N N 15 122.27 0.01 . 1 . . . . . 123 LYS N . 51161 1 157 . 1 . 1 106 106 ARG H H 1 7.83 0.01 . 1 . . . . . 124 ARG HN . 51161 1 158 . 1 . 1 106 106 ARG N N 15 120.74 0.01 . 1 . . . . . 124 ARG N . 51161 1 159 . 1 . 1 107 107 ASP H H 1 7.69 0.01 . 1 . . . . . 125 ASP HN . 51161 1 160 . 1 . 1 107 107 ASP N N 15 118.30 0.01 . 1 . . . . . 125 ASP N . 51161 1 161 . 1 . 1 108 108 LEU H H 1 7.38 0.01 . 1 . . . . . 126 LEU HN . 51161 1 162 . 1 . 1 108 108 LEU N N 15 122.18 0.01 . 1 . . . . . 126 LEU N . 51161 1 163 . 1 . 1 109 109 GLU H H 1 8.67 0.01 . 1 . . . . . 127 GLU HN . 51161 1 164 . 1 . 1 109 109 GLU N N 15 116.93 0.01 . 1 . . . . . 127 GLU N . 51161 1 165 . 1 . 1 110 110 GLN H H 1 8.01 0.01 . 1 . . . . . 128 GLN HN . 51161 1 166 . 1 . 1 110 110 GLN N N 15 119.46 0.01 . 1 . . . . . 128 GLN N . 51161 1 167 . 1 . 1 111 111 ALA H H 1 7.95 0.01 . 1 . . . . . 129 ALA HN . 51161 1 168 . 1 . 1 111 111 ALA N N 15 124.04 0.01 . 1 . . . . . 129 ALA N . 51161 1 169 . 1 . 1 112 112 ILE H H 1 8.37 0.01 . 1 . . . . . 130 ILE HN . 51161 1 170 . 1 . 1 112 112 ILE N N 15 117.23 0.01 . 1 . . . . . 130 ILE N . 51161 1 171 . 1 . 1 113 113 SER H H 1 8.00 0.01 . 1 . . . . . 131 SER HN . 51161 1 172 . 1 . 1 113 113 SER N N 15 114.36 0.01 . 1 . . . . . 131 SER N . 51161 1 173 . 1 . 1 114 114 GLN H H 1 8.02 0.01 . 1 . . . . . 132 GLN HN . 51161 1 174 . 1 . 1 114 114 GLN N N 15 121.38 0.01 . 1 . . . . . 132 GLN N . 51161 1 175 . 1 . 1 115 115 ARG H H 1 8.37 0.01 . 1 . . . . . 133 ARG HN . 51161 1 176 . 1 . 1 115 115 ARG N N 15 120.86 0.01 . 1 . . . . . 133 ARG N . 51161 1 177 . 1 . 1 117 117 GLN H H 1 8.73 0.01 . 1 . . . . . 135 GLN HN . 51161 1 178 . 1 . 1 117 117 GLN N N 15 122.41 0.01 . 1 . . . . . 135 GLN N . 51161 1 179 . 1 . 1 118 118 THR H H 1 7.55 0.01 . 1 . . . . . 136 THR HN . 51161 1 180 . 1 . 1 118 118 THR N N 15 118.06 0.01 . 1 . . . . . 136 THR N . 51161 1 181 . 1 . 1 124 124 HIS H H 1 7.90 0.01 . 1 . . . . . 142 HIS HN . 51161 1 182 . 1 . 1 124 124 HIS N N 15 116.99 0.01 . 1 . . . . . 142 HIS N . 51161 1 183 . 1 . 1 125 125 VAL H H 1 7.92 0.01 . 1 . . . . . 143 VAL HN . 51161 1 184 . 1 . 1 125 125 VAL N N 15 119.32 0.01 . 1 . . . . . 143 VAL N . 51161 1 185 . 1 . 1 127 127 ILE H H 1 8.51 0.01 . 1 . . . . . 145 ILE HN . 51161 1 186 . 1 . 1 127 127 ILE N N 15 123.42 0.01 . 1 . . . . . 145 ILE N . 51161 1 187 . 1 . 1 128 128 GLU H H 1 9.13 0.01 . 1 . . . . . 146 GLU HN . 51161 1 188 . 1 . 1 128 128 GLU N N 15 120.90 0.01 . 1 . . . . . 146 GLU N . 51161 1 189 . 1 . 1 129 129 GLU H H 1 7.79 0.01 . 1 . . . . . 147 GLU HN . 51161 1 190 . 1 . 1 129 129 GLU N N 15 117.45 0.01 . 1 . . . . . 147 GLU N . 51161 1 191 . 1 . 1 130 130 GLN H H 1 7.74 0.01 . 1 . . . . . 148 GLN HN . 51161 1 192 . 1 . 1 130 130 GLN N N 15 119.86 0.01 . 1 . . . . . 148 GLN N . 51161 1 193 . 1 . 1 131 131 ARG H H 1 7.73 0.01 . 1 . . . . . 149 ARG HN . 51161 1 194 . 1 . 1 131 131 ARG N N 15 118.53 0.01 . 1 . . . . . 149 ARG N . 51161 1 195 . 1 . 1 132 132 GLY H H 1 8.24 0.01 . 1 . . . . . 150 GLY HN . 51161 1 196 . 1 . 1 132 132 GLY N N 15 109.00 0.01 . 1 . . . . . 150 GLY N . 51161 1 197 . 1 . 1 133 133 ASP H H 1 8.26 0.01 . 1 . . . . . 151 ASP HN . 51161 1 198 . 1 . 1 133 133 ASP N N 15 119.90 0.01 . 1 . . . . . 151 ASP N . 51161 1 199 . 1 . 1 134 134 TYR H H 1 8.62 0.01 . 1 . . . . . 152 TYR HN . 51161 1 200 . 1 . 1 134 134 TYR N N 15 120.78 0.01 . 1 . . . . . 152 TYR N . 51161 1 201 . 1 . 1 135 135 ASP H H 1 8.83 0.01 . 1 . . . . . 153 ASP HN . 51161 1 202 . 1 . 1 135 135 ASP N N 15 120.06 0.01 . 1 . . . . . 153 ASP N . 51161 1 203 . 1 . 1 136 136 LEU H H 1 9.19 0.01 . 1 . . . . . 154 LEU HN . 51161 1 204 . 1 . 1 136 136 LEU N N 15 124.66 0.01 . 1 . . . . . 154 LEU N . 51161 1 205 . 1 . 1 137 137 ASN H H 1 9.00 0.01 . 1 . . . . . 155 ASN HN . 51161 1 206 . 1 . 1 137 137 ASN N N 15 117.14 0.01 . 1 . . . . . 155 ASN N . 51161 1 207 . 1 . 1 138 138 ALA H H 1 7.13 0.01 . 1 . . . . . 156 ALA HN . 51161 1 208 . 1 . 1 138 138 ALA N N 15 119.25 0.01 . 1 . . . . . 156 ALA N . 51161 1 209 . 1 . 1 139 139 VAL H H 1 8.46 0.01 . 1 . . . . . 157 VAL HN . 51161 1 210 . 1 . 1 139 139 VAL N N 15 110.32 0.01 . 1 . . . . . 157 VAL N . 51161 1 211 . 1 . 1 140 140 ARG H H 1 8.24 0.01 . 1 . . . . . 158 ARG HN . 51161 1 212 . 1 . 1 140 140 ARG N N 15 114.89 0.01 . 1 . . . . . 158 ARG N . 51161 1 213 . 1 . 1 141 141 LEU H H 1 8.06 0.01 . 1 . . . . . 159 LEU HN . 51161 1 214 . 1 . 1 141 141 LEU N N 15 117.05 0.01 . 1 . . . . . 159 LEU N . 51161 1 215 . 1 . 1 142 142 CYS H H 1 8.93 0.01 . 1 . . . . . 160 CYS HN . 51161 1 216 . 1 . 1 142 142 CYS N N 15 120.98 0.01 . 1 . . . . . 160 CYS N . 51161 1 217 . 1 . 1 143 143 PHE H H 1 9.46 0.01 . 1 . . . . . 161 PHE HN . 51161 1 218 . 1 . 1 143 143 PHE N N 15 128.53 0.01 . 1 . . . . . 161 PHE N . 51161 1 219 . 1 . 1 144 144 GLN H H 1 9.51 0.01 . 1 . . . . . 162 GLN HN . 51161 1 220 . 1 . 1 144 144 GLN N N 15 125.24 0.01 . 1 . . . . . 162 GLN N . 51161 1 221 . 1 . 1 145 145 VAL H H 1 9.24 0.01 . 1 . . . . . 163 VAL HN . 51161 1 222 . 1 . 1 145 145 VAL N N 15 129.58 0.01 . 1 . . . . . 163 VAL N . 51161 1 223 . 1 . 1 146 146 THR H H 1 9.11 0.01 . 1 . . . . . 164 THR HN . 51161 1 224 . 1 . 1 146 146 THR N N 15 125.15 0.01 . 1 . . . . . 164 THR N . 51161 1 225 . 1 . 1 147 147 VAL H H 1 8.63 0.01 . 1 . . . . . 165 VAL HN . 51161 1 226 . 1 . 1 147 147 VAL N N 15 118.33 0.01 . 1 . . . . . 165 VAL N . 51161 1 227 . 1 . 1 148 148 ARG H H 1 6.48 0.01 . 1 . . . . . 166 ARG HN . 51161 1 228 . 1 . 1 148 148 ARG N N 15 119.79 0.01 . 1 . . . . . 166 ARG N . 51161 1 229 . 1 . 1 149 149 ASP H H 1 8.89 0.01 . 1 . . . . . 167 ASP HN . 51161 1 230 . 1 . 1 149 149 ASP N N 15 123.21 0.01 . 1 . . . . . 167 ASP N . 51161 1 231 . 1 . 1 151 151 ALA H H 1 7.79 0.01 . 1 . . . . . 169 ALA HN . 51161 1 232 . 1 . 1 151 151 ALA N N 15 118.26 0.01 . 1 . . . . . 169 ALA N . 51161 1 233 . 1 . 1 152 152 GLY H H 1 8.49 0.01 . 1 . . . . . 170 GLY HN . 51161 1 234 . 1 . 1 152 152 GLY N N 15 108.26 0.01 . 1 . . . . . 170 GLY N . 51161 1 235 . 1 . 1 153 153 ARG H H 1 8.46 0.01 . 1 . . . . . 171 ARG HN . 51161 1 236 . 1 . 1 153 153 ARG N N 15 123.20 0.01 . 1 . . . . . 171 ARG N . 51161 1 237 . 1 . 1 155 155 LEU H H 1 7.78 0.01 . 1 . . . . . 173 LEU HN . 51161 1 238 . 1 . 1 155 155 LEU N N 15 126.68 0.01 . 1 . . . . . 173 LEU N . 51161 1 239 . 1 . 1 156 156 LEU H H 1 8.62 0.01 . 1 . . . . . 174 LEU HN . 51161 1 240 . 1 . 1 156 156 LEU N N 15 130.05 0.01 . 1 . . . . . 174 LEU N . 51161 1 241 . 1 . 1 157 157 LEU H H 1 8.55 0.01 . 1 . . . . . 175 LEU HN . 51161 1 242 . 1 . 1 157 157 LEU N N 15 125.27 0.01 . 1 . . . . . 175 LEU N . 51161 1 243 . 1 . 1 158 158 THR H H 1 8.04 0.01 . 1 . . . . . 176 THR HN . 51161 1 244 . 1 . 1 158 158 THR N N 15 118.80 0.01 . 1 . . . . . 176 THR N . 51161 1 245 . 1 . 1 160 160 VAL H H 1 7.93 0.01 . 1 . . . . . 178 VAL HN . 51161 1 246 . 1 . 1 160 160 VAL N N 15 116.07 0.01 . 1 . . . . . 178 VAL N . 51161 1 247 . 1 . 1 161 161 LEU H H 1 8.76 0.01 . 1 . . . . . 179 LEU HN . 51161 1 248 . 1 . 1 161 161 LEU N N 15 124.84 0.01 . 1 . . . . . 179 LEU N . 51161 1 249 . 1 . 1 162 162 SER H H 1 9.04 0.01 . 1 . . . . . 180 SER HN . 51161 1 250 . 1 . 1 162 162 SER N N 15 116.29 0.01 . 1 . . . . . 180 SER N . 51161 1 251 . 1 . 1 163 163 HIS H H 1 8.48 0.01 . 1 . . . . . 181 HIS HN . 51161 1 252 . 1 . 1 163 163 HIS N N 15 117.71 0.01 . 1 . . . . . 181 HIS N . 51161 1 253 . 1 . 1 165 165 ILE H H 1 8.72 0.01 . 1 . . . . . 183 ILE HN . 51161 1 254 . 1 . 1 165 165 ILE N N 15 119.66 0.01 . 1 . . . . . 183 ILE N . 51161 1 255 . 1 . 1 166 166 PHE H H 1 9.04 0.01 . 1 . . . . . 184 PHE HN . 51161 1 256 . 1 . 1 166 166 PHE N N 15 123.18 0.01 . 1 . . . . . 184 PHE N . 51161 1 257 . 1 . 1 167 167 ASP H H 1 8.09 0.01 . 1 . . . . . 185 ASP HN . 51161 1 258 . 1 . 1 167 167 ASP N N 15 121.90 0.01 . 1 . . . . . 185 ASP N . 51161 1 259 . 1 . 1 168 168 ASN H H 1 8.00 0.01 . 1 . . . . . 186 ASN HN . 51161 1 260 . 1 . 1 168 168 ASN N N 15 123.90 0.01 . 1 . . . . . 186 ASN N . 51161 1 261 . 1 . 1 169 169 ARG H H 1 7.86 0.01 . 1 . . . . . 187 ARG HN . 51161 1 262 . 1 . 1 169 169 ARG N N 15 119.27 0.01 . 1 . . . . . 187 ARG N . 51161 1 263 . 1 . 1 170 170 ALA H H 1 7.74 0.01 . 1 . . . . . 188 ALA HN . 51161 1 264 . 1 . 1 170 170 ALA N N 15 123.50 0.01 . 1 . . . . . 188 ALA N . 51161 1 265 . 1 . 1 172 172 ASN H H 1 8.60 0.01 . 1 . . . . . 190 ASN HN . 51161 1 266 . 1 . 1 172 172 ASN N N 15 119.28 0.01 . 1 . . . . . 190 ASN N . 51161 1 267 . 1 . 1 173 173 THR H H 1 7.52 0.01 . 1 . . . . . 191 THR HN . 51161 1 268 . 1 . 1 173 173 THR N N 15 118.77 0.01 . 1 . . . . . 191 THR N . 51161 1 stop_ save_