data_53442 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53442 _Entry.Title ; 7SK Site1 RNA bound HEXIM1 central region BR-L-AR protein assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-24 _Entry.Accession_date 2025-11-24 _Entry.Last_release_date 2025-11-24 _Entry.Original_release_date 2025-11-24 _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 '7SK SL1-dI-deltaU bound BR-L-AR protein assignments.' _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 Yuan Yang . . . 0000-0002-9538-6369 53442 2 Juli Feigon . . . 0000-0003-3376-435X 53442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 53442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 53442 '15N chemical shifts' 108 53442 '1H chemical shifts' 109 53442 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 . . 2025-12-16 . original BMRB . 53442 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53441 'HEXIM1 central region BR-L-AR protein assignments' 53442 BMRB 53443 '7SK Site1 RNA SL1-dI' 53442 BMRB 53444 '7SK Site1 RNA SL1-dI' 53442 BMRB 53445 '7SK Site1 RNA SL1-dI-deltaU' 53442 BMRB 53446 'Hexim1 central region BR-L' 53442 BMRB 53447 'Hexim1 RNA-binding motif basic region BR' 53442 BMRB 53448 '7SK Site4 SL1-dII RNA' 53442 BMRB 53449 '7SK Sites1,4 SL1-d RNA' 53442 BMRB 53450 '7SK Sites2,4 SL1-dIIm RNA' 53442 BMRB 53451 '7SK Site5 SL1-p RNA' 53442 BMRB 53452 '7SK Sites2,5 SL1-mp RNA' 53442 BMRB 53453 '7SK SL1-pII RNA' 53442 BMRB 53454 '7SK SL1alt-UUCG RNA' 53442 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53442 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; HEXIM1 inter-monomer autoinhibition governs 7SK RNA binding specificity and P-TEFb inactivation ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Comm.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2025 _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 Yuan Yang . . . . 53442 1 2 Maria Murrali . G. . . 53442 1 3 Sabrina Galvan . . . . 53442 1 4 Yaqiang Wang . . . . 53442 1 5 Christine Stephen . . . . 53442 1 6 Neha Ajjampore . . . . 53442 1 7 Xiaoyu Wang . . . . 53442 1 8 Juli Feigon . . . . 53442 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Hexim1, RNA-binding protein, IDP, 7SK RNP, P-TEFb, Pol II pause release' 53442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53442 _Assembly.ID 1 _Assembly.Name 'Hexim1 BR-L-AR' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _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 ; Free protein assigned in the monomeric form (BMRB 53441), but exists as dimer, trimer and higher-order soluble oligomers in solution. Once RNA-bound, protein is in monomeric form, where minor conformational species are observed around the proline199 to proline202 segment, potentially due to proline cis-trans isomerization events. Details of the two alternate conformations of RNA bound BR-L-AR preceding 202-PYNT-205 motif are as follows: Minor species (1): G197' -- Q198' -- P199' -- V200' -- A201' Minor species (2): Q198'' The assignments of the minor species (1) stretch is based on intensity (population), not by connectivity (disrupted walk at P199'). ; _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 BR-L-AR 1 $entity_1 . . yes native yes no . . . 53442 1 2 '7SK SL1-dI-deltaU' 2 $entity_2 . . no native no no . . . 53442 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Intermediate exchange' 53442 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Hexim1 BR-L-AR is the central monomeric region of the homodimeric Hexim1 protein. When BR is bound to 7SK RNA Site1, the auto-inhibited conformations that exist in the free protein is released. ; 53442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53442 _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 ; GGQQQRQLGKKKHRRRPSKK KRHWKPYYKLTWEEKKKFDE KQSLRASRIRAEMFAKGQPV APYNTTQFLMDDHDQEEPDL KTGLYSKRAAAKSDDTSDDD FMEEGGEEDGGSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 141, G 142, G ; _Entity.Polymer_author_seq_details ; Amino acids 142 through 253 from human Hexim1. A non-native glycine remains at the N-terminus of the final BR-L-AR after TEV protease cleavage. ; _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 113 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI NP_006451.1 . Hexim1 . . . . . . . . . . . . . . 53442 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Hexim1 is a dynamic protein component of 7SK ribonucleoprotein complex (RNP), and it inhibits the kinase activity of positive transcription elongation factor b (P-TEFb) by sequestering P-TEFb in 7SK RNP by simultaneously binding 7SK RNA and the two subunits of P-TEFb (Cdk9 and CycT1). 7SK RNA binding is a prerequisite for Hexim1 to become a P-TEFb inhibitor. ; 53442 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 141 GLY . 53442 1 2 142 GLY . 53442 1 3 143 GLN . 53442 1 4 144 GLN . 53442 1 5 145 GLN . 53442 1 6 146 ARG . 53442 1 7 147 GLN . 53442 1 8 148 LEU . 53442 1 9 149 GLY . 53442 1 10 150 LYS . 53442 1 11 151 LYS . 53442 1 12 152 LYS . 53442 1 13 153 HIS . 53442 1 14 154 ARG . 53442 1 15 155 ARG . 53442 1 16 156 ARG . 53442 1 17 157 PRO . 53442 1 18 158 SER . 53442 1 19 159 LYS . 53442 1 20 160 LYS . 53442 1 21 161 LYS . 53442 1 22 162 ARG . 53442 1 23 163 HIS . 53442 1 24 164 TRP . 53442 1 25 165 LYS . 53442 1 26 166 PRO . 53442 1 27 167 TYR . 53442 1 28 168 TYR . 53442 1 29 169 LYS . 53442 1 30 170 LEU . 53442 1 31 171 THR . 53442 1 32 172 TRP . 53442 1 33 173 GLU . 53442 1 34 174 GLU . 53442 1 35 175 LYS . 53442 1 36 176 LYS . 53442 1 37 177 LYS . 53442 1 38 178 PHE . 53442 1 39 179 ASP . 53442 1 40 180 GLU . 53442 1 41 181 LYS . 53442 1 42 182 GLN . 53442 1 43 183 SER . 53442 1 44 184 LEU . 53442 1 45 185 ARG . 53442 1 46 186 ALA . 53442 1 47 187 SER . 53442 1 48 188 ARG . 53442 1 49 189 ILE . 53442 1 50 190 ARG . 53442 1 51 191 ALA . 53442 1 52 192 GLU . 53442 1 53 193 MET . 53442 1 54 194 PHE . 53442 1 55 195 ALA . 53442 1 56 196 LYS . 53442 1 57 197 GLY . 53442 1 58 198 GLN . 53442 1 59 199 PRO . 53442 1 60 200 VAL . 53442 1 61 201 ALA . 53442 1 62 202 PRO . 53442 1 63 203 TYR . 53442 1 64 204 ASN . 53442 1 65 205 THR . 53442 1 66 206 THR . 53442 1 67 207 GLN . 53442 1 68 208 PHE . 53442 1 69 209 LEU . 53442 1 70 210 MET . 53442 1 71 211 ASP . 53442 1 72 212 ASP . 53442 1 73 213 HIS . 53442 1 74 214 ASP . 53442 1 75 215 GLN . 53442 1 76 216 GLU . 53442 1 77 217 GLU . 53442 1 78 218 PRO . 53442 1 79 219 ASP . 53442 1 80 220 LEU . 53442 1 81 221 LYS . 53442 1 82 222 THR . 53442 1 83 223 GLY . 53442 1 84 224 LEU . 53442 1 85 225 TYR . 53442 1 86 226 SER . 53442 1 87 227 LYS . 53442 1 88 228 ARG . 53442 1 89 229 ALA . 53442 1 90 230 ALA . 53442 1 91 231 ALA . 53442 1 92 232 LYS . 53442 1 93 233 SER . 53442 1 94 234 ASP . 53442 1 95 235 ASP . 53442 1 96 236 THR . 53442 1 97 237 SER . 53442 1 98 238 ASP . 53442 1 99 239 ASP . 53442 1 100 240 ASP . 53442 1 101 241 PHE . 53442 1 102 242 MET . 53442 1 103 243 GLU . 53442 1 104 244 GLU . 53442 1 105 245 GLY . 53442 1 106 246 GLY . 53442 1 107 247 GLU . 53442 1 108 248 GLU . 53442 1 109 249 ASP . 53442 1 110 250 GLY . 53442 1 111 251 GLY . 53442 1 112 252 SER . 53442 1 113 253 ASP . 53442 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 53442 1 . GLY 2 2 53442 1 . GLN 3 3 53442 1 . GLN 4 4 53442 1 . GLN 5 5 53442 1 . ARG 6 6 53442 1 . GLN 7 7 53442 1 . LEU 8 8 53442 1 . GLY 9 9 53442 1 . LYS 10 10 53442 1 . LYS 11 11 53442 1 . LYS 12 12 53442 1 . HIS 13 13 53442 1 . ARG 14 14 53442 1 . ARG 15 15 53442 1 . ARG 16 16 53442 1 . PRO 17 17 53442 1 . SER 18 18 53442 1 . LYS 19 19 53442 1 . LYS 20 20 53442 1 . LYS 21 21 53442 1 . ARG 22 22 53442 1 . HIS 23 23 53442 1 . TRP 24 24 53442 1 . LYS 25 25 53442 1 . PRO 26 26 53442 1 . TYR 27 27 53442 1 . TYR 28 28 53442 1 . LYS 29 29 53442 1 . LEU 30 30 53442 1 . THR 31 31 53442 1 . TRP 32 32 53442 1 . GLU 33 33 53442 1 . GLU 34 34 53442 1 . LYS 35 35 53442 1 . LYS 36 36 53442 1 . LYS 37 37 53442 1 . PHE 38 38 53442 1 . ASP 39 39 53442 1 . GLU 40 40 53442 1 . LYS 41 41 53442 1 . GLN 42 42 53442 1 . SER 43 43 53442 1 . LEU 44 44 53442 1 . ARG 45 45 53442 1 . ALA 46 46 53442 1 . SER 47 47 53442 1 . ARG 48 48 53442 1 . ILE 49 49 53442 1 . ARG 50 50 53442 1 . ALA 51 51 53442 1 . GLU 52 52 53442 1 . MET 53 53 53442 1 . PHE 54 54 53442 1 . ALA 55 55 53442 1 . LYS 56 56 53442 1 . GLY 57 57 53442 1 . GLN 58 58 53442 1 . PRO 59 59 53442 1 . VAL 60 60 53442 1 . ALA 61 61 53442 1 . PRO 62 62 53442 1 . TYR 63 63 53442 1 . ASN 64 64 53442 1 . THR 65 65 53442 1 . THR 66 66 53442 1 . GLN 67 67 53442 1 . PHE 68 68 53442 1 . LEU 69 69 53442 1 . MET 70 70 53442 1 . ASP 71 71 53442 1 . ASP 72 72 53442 1 . HIS 73 73 53442 1 . ASP 74 74 53442 1 . GLN 75 75 53442 1 . GLU 76 76 53442 1 . GLU 77 77 53442 1 . PRO 78 78 53442 1 . ASP 79 79 53442 1 . LEU 80 80 53442 1 . LYS 81 81 53442 1 . THR 82 82 53442 1 . GLY 83 83 53442 1 . LEU 84 84 53442 1 . TYR 85 85 53442 1 . SER 86 86 53442 1 . LYS 87 87 53442 1 . ARG 88 88 53442 1 . ALA 89 89 53442 1 . ALA 90 90 53442 1 . ALA 91 91 53442 1 . LYS 92 92 53442 1 . SER 93 93 53442 1 . ASP 94 94 53442 1 . ASP 95 95 53442 1 . THR 96 96 53442 1 . SER 97 97 53442 1 . ASP 98 98 53442 1 . ASP 99 99 53442 1 . ASP 100 100 53442 1 . PHE 101 101 53442 1 . MET 102 102 53442 1 . GLU 103 103 53442 1 . GLU 104 104 53442 1 . GLY 105 105 53442 1 . GLY 106 106 53442 1 . GLU 107 107 53442 1 . GLU 108 108 53442 1 . ASP 109 109 53442 1 . GLY 110 110 53442 1 . GLY 111 111 53442 1 . SER 112 112 53442 1 . ASP 113 113 53442 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53442 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCCAUUGAUCGCUUCGGCG AUCUGGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 35 GUA 36 GUA 37 CYT 38 CYT 39 ADE 40 URA 41 URA 42 GUA 43 ADE 44 URA 45 CYT 46 GUA 47 CYT 48 URA 49 URA 50 CYT 51 GUA 61 GUA 62 CYT 64 GUA 65 ADE 66 URA 67 CYT 68 URA 69 GUA 70 GUA 71 CYT 72 CYT ; _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 28 _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Site1 RNA segment of linear 7SK RNA with U63 deleted, serves as the high affinity binding site for Hexim1 RNA binding motif (BR, basic region) and HIV-1 Tat RNA binding motif (ARM, arginine-rich motif). ; 53442 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 35 G . 53442 2 2 36 G . 53442 2 3 37 C . 53442 2 4 38 C . 53442 2 5 39 A . 53442 2 6 40 U . 53442 2 7 41 U . 53442 2 8 42 G . 53442 2 9 43 A . 53442 2 10 44 U . 53442 2 11 45 C . 53442 2 12 46 G . 53442 2 13 47 C . 53442 2 14 48 U . 53442 2 15 49 U . 53442 2 16 50 C . 53442 2 17 51 G . 53442 2 18 61 G . 53442 2 19 62 C . 53442 2 20 64 G . 53442 2 21 65 A . 53442 2 22 66 U . 53442 2 23 67 C . 53442 2 24 68 U . 53442 2 25 69 G . 53442 2 26 70 G . 53442 2 27 71 C . 53442 2 28 72 C . 53442 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 . G 1 1 53442 2 . G 2 2 53442 2 . C 3 3 53442 2 . C 4 4 53442 2 . A 5 5 53442 2 . U 6 6 53442 2 . U 7 7 53442 2 . G 8 8 53442 2 . A 9 9 53442 2 . U 10 10 53442 2 . C 11 11 53442 2 . G 12 12 53442 2 . C 13 13 53442 2 . U 14 14 53442 2 . U 15 15 53442 2 . C 16 16 53442 2 . G 17 17 53442 2 . G 18 18 53442 2 . C 19 19 53442 2 . G 20 20 53442 2 . A 21 21 53442 2 . U 22 22 53442 2 . C 23 23 53442 2 . U 24 24 53442 2 . G 25 25 53442 2 . G 26 26 53442 2 . C 27 27 53442 2 . C 28 28 53442 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 53442 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53442 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 53442 _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 BL21-GOLD(DE3) . . plasmid . . pETDuet-1 . . . 53442 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53442 _Sample.ID 1 _Sample.Name 'BR-L-AR bound to 7SK SL1-dI-deltaU RNA' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Hexim1 BR-L-AR' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.22 . . mM . . . . 53442 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53442 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 53442 1 4 D2O 'natural abundance' . . . . . . 5 . . '% v/v' . . . . 53442 1 5 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53442 1 6 '7SK SL1-dI-deltaU RNA' 'natural abundance' . . 1 $entity_1 . . 0.25 . . mM . . . . 53442 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 53442 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'BR-L-AR only sample conditions' _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' 200 . mM 53442 1 pH 6.2 . pH 53442 1 pressure 1 . atm 53442 1 temperature 298.15 . K 53442 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53442 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53442 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53442 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53442 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53442 _Software.ID 3 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53442 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53442 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53442 4 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 53442 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD 600MHz spectrometer equipped with QCI HCNP cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 53442 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53442 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53442 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53442 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53442 1 5 '3D C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53442 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 53442 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Water reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53442 1 H 1 H2O protons . . . . ppm 4.7546 internal direct 1.000000000 . . . . . 53442 1 N 15 H2O protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53442 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 53442 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '7SK Site1 RNA bound Hexim1 BR-L-AR backbone and sidechain assignments' _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 1 '2D 1H-15N HSQC' . . . 53442 1 2 '3D CBCA(CO)NH' . . . 53442 1 3 '3D HNCA' . . . 53442 1 4 '3D HNCACB' . . . 53442 1 5 '3D C(CO)NH' . . . 53442 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 4 $software_4 . . 53442 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 3 3 GLN CA C 13 56.118 0.00 . . . . . . . 143 GLN CA . 53442 1 2 . 1 . 1 3 3 GLN CG C 13 33.904 0.00 . . . . . . . 143 GLN CG . 53442 1 3 . 1 . 1 4 4 GLN H H 1 8.438 0.04 . . . . . . . 144 GLN HN . 53442 1 4 . 1 . 1 4 4 GLN CA C 13 56.175 0.09 . . . . . . . 144 GLN CA . 53442 1 5 . 1 . 1 4 4 GLN CB C 13 29.376 0.03 . . . . . . . 144 GLN CB . 53442 1 6 . 1 . 1 4 4 GLN CG C 13 33.891 0.00 . . . . . . . 144 GLN CG . 53442 1 7 . 1 . 1 4 4 GLN N N 15 121.705 0.19 . . . . . . . 144 GLN N . 53442 1 8 . 1 . 1 5 5 GLN H H 1 8.503 0.01 . . . . . . . 145 GLN HN . 53442 1 9 . 1 . 1 5 5 GLN CA C 13 56.151 0.07 . . . . . . . 145 GLN CA . 53442 1 10 . 1 . 1 5 5 GLN CB C 13 29.330 0.00 . . . . . . . 145 GLN CB . 53442 1 11 . 1 . 1 5 5 GLN N N 15 121.568 0.24 . . . . . . . 145 GLN N . 53442 1 12 . 1 . 1 6 6 ARG H H 1 8.367 0.01 . . . . . . . 146 ARG HN . 53442 1 13 . 1 . 1 6 6 ARG CA C 13 56.369 0.00 . . . . . . . 146 ARG CA . 53442 1 14 . 1 . 1 6 6 ARG CB C 13 30.993 0.09 . . . . . . . 146 ARG CB . 53442 1 15 . 1 . 1 6 6 ARG N N 15 122.494 0.16 . . . . . . . 146 ARG N . 53442 1 16 . 1 . 1 7 7 GLN H H 1 8.461 0.02 . . . . . . . 147 GLN HN . 53442 1 17 . 1 . 1 7 7 GLN CA C 13 55.866 0.03 . . . . . . . 147 GLN CA . 53442 1 18 . 1 . 1 7 7 GLN CB C 13 29.274 0.06 . . . . . . . 147 GLN CB . 53442 1 19 . 1 . 1 7 7 GLN CG C 13 33.851 0.00 . . . . . . . 147 GLN CG . 53442 1 20 . 1 . 1 7 7 GLN N N 15 121.813 0.22 . . . . . . . 147 GLN N . 53442 1 21 . 1 . 1 8 8 LEU H H 1 8.296 0.02 . . . . . . . 148 LEU HN . 53442 1 22 . 1 . 1 8 8 LEU CA C 13 55.557 0.10 . . . . . . . 148 LEU CA . 53442 1 23 . 1 . 1 8 8 LEU CB C 13 42.417 0.04 . . . . . . . 148 LEU CB . 53442 1 24 . 1 . 1 8 8 LEU CD1 C 13 24.873 0.00 . . . . . . . 148 LEU CD# . 53442 1 25 . 1 . 1 8 8 LEU CD2 C 13 24.873 0.00 . . . . . . . 148 LEU CD# . 53442 1 26 . 1 . 1 8 8 LEU N N 15 123.739 0.28 . . . . . . . 148 LEU N . 53442 1 27 . 1 . 1 9 9 GLY H H 1 8.415 0.01 . . . . . . . 149 GLY HN . 53442 1 28 . 1 . 1 9 9 GLY CA C 13 45.326 0.08 . . . . . . . 149 GLY CA . 53442 1 29 . 1 . 1 9 9 GLY N N 15 109.859 0.12 . . . . . . . 149 GLY N . 53442 1 30 . 1 . 1 10 10 LYS H H 1 8.080 0.03 . . . . . . . 150 LYS HN . 53442 1 31 . 1 . 1 10 10 LYS CA C 13 56.132 0.00 . . . . . . . 150 LYS CA . 53442 1 32 . 1 . 1 10 10 LYS CB C 13 33.353 0.00 . . . . . . . 150 LYS CB . 53442 1 33 . 1 . 1 10 10 LYS N N 15 121.128 0.14 . . . . . . . 150 LYS N . 53442 1 34 . 1 . 1 11 11 LYS H H 1 8.488 0.00 . . . . . . . 151 LYS HN . 53442 1 35 . 1 . 1 11 11 LYS CB C 13 33.335 0.00 . . . . . . . 151 LYS CB . 53442 1 36 . 1 . 1 11 11 LYS N N 15 120.635 0.00 . . . . . . . 151 LYS N . 53442 1 37 . 1 . 1 12 12 LYS H H 1 8.413 0.02 . . . . . . . 152 LYS HN . 53442 1 38 . 1 . 1 12 12 LYS CA C 13 56.243 0.03 . . . . . . . 152 LYS CA . 53442 1 39 . 1 . 1 12 12 LYS CB C 13 33.275 0.00 . . . . . . . 152 LYS CB . 53442 1 40 . 1 . 1 12 12 LYS N N 15 123.617 0.51 . . . . . . . 152 LYS N . 53442 1 41 . 1 . 1 14 14 ARG H H 1 8.538 0.00 . . . . . . . 154 ARG HN . 53442 1 42 . 1 . 1 14 14 ARG N N 15 123.379 0.00 . . . . . . . 154 ARG N . 53442 1 43 . 1 . 1 15 15 ARG H H 1 8.550 0.00 . . . . . . . 155 ARG HN . 53442 1 44 . 1 . 1 15 15 ARG N N 15 123.295 0.00 . . . . . . . 155 ARG N . 53442 1 45 . 1 . 1 16 16 ARG H H 1 8.521 0.00 . . . . . . . 156 ARG HN . 53442 1 46 . 1 . 1 16 16 ARG N N 15 124.139 0.00 . . . . . . . 156 ARG N . 53442 1 47 . 1 . 1 18 18 SER H H 1 8.522 0.03 . . . . . . . 158 SER HN . 53442 1 48 . 1 . 1 18 18 SER N N 15 117.070 0.24 . . . . . . . 158 SER N . 53442 1 49 . 1 . 1 19 19 LYS H H 1 8.470 0.00 . . . . . . . 159 LYS HN . 53442 1 50 . 1 . 1 19 19 LYS N N 15 123.683 0.00 . . . . . . . 159 LYS N . 53442 1 51 . 1 . 1 20 20 LYS H H 1 8.306 0.00 . . . . . . . 160 LYS HN . 53442 1 52 . 1 . 1 20 20 LYS N N 15 122.942 0.00 . . . . . . . 160 LYS N . 53442 1 53 . 1 . 1 21 21 LYS H H 1 8.291 0.00 . . . . . . . 161 LYS HN . 53442 1 54 . 1 . 1 21 21 LYS N N 15 122.240 0.00 . . . . . . . 161 LYS N . 53442 1 55 . 1 . 1 22 22 ARG H H 1 8.348 0.00 . . . . . . . 162 ARG HN . 53442 1 56 . 1 . 1 22 22 ARG N N 15 122.753 0.00 . . . . . . . 162 ARG N . 53442 1 57 . 1 . 1 24 24 TRP H H 1 8.240 0.00 . . . . . . . 164 TRP HN . 53442 1 58 . 1 . 1 24 24 TRP N N 15 123.228 0.00 . . . . . . . 164 TRP N . 53442 1 59 . 1 . 1 25 25 LYS H H 1 7.763 0.08 . . . . . . . 165 LYS HN . 53442 1 60 . 1 . 1 25 25 LYS CA C 13 54.121 0.00 . . . . . . . 165 LYS CA . 53442 1 61 . 1 . 1 25 25 LYS N N 15 124.669 0.04 . . . . . . . 165 LYS N . 53442 1 62 . 1 . 1 27 27 TYR H H 1 8.065 0.00 . . . . . . . 167 TYR HN . 53442 1 63 . 1 . 1 27 27 TYR N N 15 120.378 0.00 . . . . . . . 167 TYR N . 53442 1 64 . 1 . 1 28 28 TYR H H 1 7.628 0.00 . . . . . . . 168 TYR HN . 53442 1 65 . 1 . 1 28 28 TYR CA C 13 57.994 0.08 . . . . . . . 168 TYR CA . 53442 1 66 . 1 . 1 28 28 TYR CB C 13 37.729 0.00 . . . . . . . 168 TYR CB . 53442 1 67 . 1 . 1 28 28 TYR N N 15 116.122 0.00 . . . . . . . 168 TYR N . 53442 1 68 . 1 . 1 29 29 LYS H H 1 7.581 0.04 . . . . . . . 169 LYS HN . 53442 1 69 . 1 . 1 29 29 LYS CA C 13 55.858 0.03 . . . . . . . 169 LYS CA . 53442 1 70 . 1 . 1 29 29 LYS CB C 13 33.094 0.00 . . . . . . . 169 LYS CB . 53442 1 71 . 1 . 1 29 29 LYS N N 15 120.850 0.18 . . . . . . . 169 LYS N . 53442 1 72 . 1 . 1 30 30 LEU H H 1 7.507 0.04 . . . . . . . 170 LEU HN . 53442 1 73 . 1 . 1 30 30 LEU CA C 13 54.961 0.02 . . . . . . . 170 LEU CA . 53442 1 74 . 1 . 1 30 30 LEU CB C 13 42.058 0.00 . . . . . . . 170 LEU CB . 53442 1 75 . 1 . 1 30 30 LEU N N 15 121.874 0.12 . . . . . . . 170 LEU N . 53442 1 76 . 1 . 1 31 31 THR H H 1 8.515 0.04 . . . . . . . 171 THR HN . 53442 1 77 . 1 . 1 31 31 THR CA C 13 61.549 0.03 . . . . . . . 171 THR CA . 53442 1 78 . 1 . 1 31 31 THR CB C 13 70.771 0.00 . . . . . . . 171 THR CB . 53442 1 79 . 1 . 1 31 31 THR N N 15 113.712 0.15 . . . . . . . 171 THR N . 53442 1 80 . 1 . 1 32 32 TRP H H 1 8.631 0.03 . . . . . . . 172 TRP HN . 53442 1 81 . 1 . 1 32 32 TRP CA C 13 60.334 0.00 . . . . . . . 172 TRP CA . 53442 1 82 . 1 . 1 32 32 TRP CB C 13 37.923 0.00 . . . . . . . 172 TRP CB . 53442 1 83 . 1 . 1 32 32 TRP N N 15 122.134 0.07 . . . . . . . 172 TRP N . 53442 1 84 . 1 . 1 33 33 GLU H H 1 8.393 0.02 . . . . . . . 173 GLU HN . 53442 1 85 . 1 . 1 33 33 GLU CA C 13 59.137 0.06 . . . . . . . 173 GLU CA . 53442 1 86 . 1 . 1 33 33 GLU CB C 13 29.743 0.00 . . . . . . . 173 GLU CB . 53442 1 87 . 1 . 1 33 33 GLU N N 15 119.043 0.21 . . . . . . . 173 GLU N . 53442 1 88 . 1 . 1 34 34 GLU H H 1 7.702 0.02 . . . . . . . 174 GLU HN . 53442 1 89 . 1 . 1 34 34 GLU CA C 13 58.432 0.11 . . . . . . . 174 GLU CA . 53442 1 90 . 1 . 1 34 34 GLU CB C 13 30.770 0.00 . . . . . . . 174 GLU CB . 53442 1 91 . 1 . 1 34 34 GLU N N 15 120.154 0.11 . . . . . . . 174 GLU N . 53442 1 92 . 1 . 1 35 35 LYS H H 1 8.613 0.00 . . . . . . . 175 LYS HN . 53442 1 93 . 1 . 1 35 35 LYS CA C 13 59.108 0.00 . . . . . . . 175 LYS CA . 53442 1 94 . 1 . 1 35 35 LYS CB C 13 32.554 0.00 . . . . . . . 175 LYS CB . 53442 1 95 . 1 . 1 35 35 LYS N N 15 122.033 0.00 . . . . . . . 175 LYS N . 53442 1 96 . 1 . 1 36 36 LYS H H 1 7.774 0.03 . . . . . . . 176 LYS HN . 53442 1 97 . 1 . 1 36 36 LYS CA C 13 58.512 0.03 . . . . . . . 176 LYS CA . 53442 1 98 . 1 . 1 36 36 LYS CB C 13 32.187 0.07 . . . . . . . 176 LYS CB . 53442 1 99 . 1 . 1 36 36 LYS N N 15 119.332 0.16 . . . . . . . 176 LYS N . 53442 1 100 . 1 . 1 37 37 LYS H H 1 7.575 0.03 . . . . . . . 177 LYS HN . 53442 1 101 . 1 . 1 37 37 LYS CA C 13 58.130 0.04 . . . . . . . 177 LYS CA . 53442 1 102 . 1 . 1 37 37 LYS CB C 13 32.919 0.00 . . . . . . . 177 LYS CB . 53442 1 103 . 1 . 1 37 37 LYS N N 15 119.106 0.13 . . . . . . . 177 LYS N . 53442 1 104 . 1 . 1 38 38 PHE H H 1 8.192 0.01 . . . . . . . 178 PHE HN . 53442 1 105 . 1 . 1 38 38 PHE CA C 13 60.277 0.01 . . . . . . . 178 PHE CA . 53442 1 106 . 1 . 1 38 38 PHE CB C 13 39.499 0.00 . . . . . . . 178 PHE CB . 53442 1 107 . 1 . 1 38 38 PHE N N 15 121.685 0.18 . . . . . . . 178 PHE N . 53442 1 108 . 1 . 1 39 39 ASP H H 1 8.662 0.01 . . . . . . . 179 ASP HN . 53442 1 109 . 1 . 1 39 39 ASP CA C 13 56.151 0.00 . . . . . . . 179 ASP CA . 53442 1 110 . 1 . 1 39 39 ASP CB C 13 40.557 0.00 . . . . . . . 179 ASP CB . 53442 1 111 . 1 . 1 39 39 ASP N N 15 121.404 0.10 . . . . . . . 179 ASP N . 53442 1 112 . 1 . 1 40 40 GLU H H 1 8.176 0.02 . . . . . . . 180 GLU HN . 53442 1 113 . 1 . 1 40 40 GLU CA C 13 58.477 0.08 . . . . . . . 180 GLU CA . 53442 1 114 . 1 . 1 40 40 GLU CB C 13 29.872 0.00 . . . . . . . 180 GLU CB . 53442 1 115 . 1 . 1 40 40 GLU N N 15 121.447 0.15 . . . . . . . 180 GLU N . 53442 1 116 . 1 . 1 41 41 LYS H H 1 7.985 0.02 . . . . . . . 181 LYS HN . 53442 1 117 . 1 . 1 41 41 LYS CA C 13 58.289 0.00 . . . . . . . 181 LYS CA . 53442 1 118 . 1 . 1 41 41 LYS CB C 13 31.933 0.09 . . . . . . . 181 LYS CB . 53442 1 119 . 1 . 1 41 41 LYS N N 15 120.305 0.11 . . . . . . . 181 LYS N . 53442 1 120 . 1 . 1 42 42 GLN H H 1 8.170 0.01 . . . . . . . 182 GLN HN . 53442 1 121 . 1 . 1 42 42 GLN CA C 13 57.449 0.01 . . . . . . . 182 GLN CA . 53442 1 122 . 1 . 1 42 42 GLN CB C 13 28.577 0.04 . . . . . . . 182 GLN CB . 53442 1 123 . 1 . 1 42 42 GLN N N 15 119.411 0.16 . . . . . . . 182 GLN N . 53442 1 124 . 1 . 1 43 43 SER H H 1 8.132 0.02 . . . . . . . 183 SER HN . 53442 1 125 . 1 . 1 43 43 SER CA C 13 60.120 0.03 . . . . . . . 183 SER CA . 53442 1 126 . 1 . 1 43 43 SER CB C 13 63.197 0.00 . . . . . . . 183 SER CB . 53442 1 127 . 1 . 1 43 43 SER N N 15 116.140 0.11 . . . . . . . 183 SER N . 53442 1 128 . 1 . 1 44 44 LEU H H 1 8.009 0.01 . . . . . . . 184 LEU HN . 53442 1 129 . 1 . 1 44 44 LEU CA C 13 56.723 0.04 . . . . . . . 184 LEU CA . 53442 1 130 . 1 . 1 44 44 LEU CB C 13 42.047 0.13 . . . . . . . 184 LEU CB . 53442 1 131 . 1 . 1 44 44 LEU N N 15 123.621 0.12 . . . . . . . 184 LEU N . 53442 1 132 . 1 . 1 45 45 ARG H H 1 7.978 0.02 . . . . . . . 185 ARG HN . 53442 1 133 . 1 . 1 45 45 ARG CA C 13 58.110 0.00 . . . . . . . 185 ARG CA . 53442 1 134 . 1 . 1 45 45 ARG N N 15 120.537 0.11 . . . . . . . 185 ARG N . 53442 1 135 . 1 . 1 46 46 ALA H H 1 8.118 0.00 . . . . . . . 186 ALA HN . 53442 1 136 . 1 . 1 46 46 ALA CA C 13 53.538 0.00 . . . . . . . 186 ALA CA . 53442 1 137 . 1 . 1 46 46 ALA CB C 13 18.604 0.00 . . . . . . . 186 ALA CB . 53442 1 138 . 1 . 1 46 46 ALA N N 15 123.053 0.00 . . . . . . . 186 ALA N . 53442 1 139 . 1 . 1 47 47 SER H H 1 8.106 0.01 . . . . . . . 187 SER HN . 53442 1 140 . 1 . 1 47 47 SER CA C 13 59.988 0.06 . . . . . . . 187 SER CA . 53442 1 141 . 1 . 1 47 47 SER CB C 13 62.721 0.00 . . . . . . . 187 SER CB . 53442 1 142 . 1 . 1 47 47 SER N N 15 114.165 0.07 . . . . . . . 187 SER N . 53442 1 143 . 1 . 1 48 48 ARG H H 1 8.074 0.02 . . . . . . . 188 ARG HN . 53442 1 144 . 1 . 1 48 48 ARG CA C 13 57.745 0.04 . . . . . . . 188 ARG CA . 53442 1 145 . 1 . 1 48 48 ARG CB C 13 30.250 0.00 . . . . . . . 188 ARG CB . 53442 1 146 . 1 . 1 48 48 ARG N N 15 123.450 0.14 . . . . . . . 188 ARG N . 53442 1 147 . 1 . 1 49 49 ILE H H 1 8.002 0.01 . . . . . . . 189 ILE HN . 53442 1 148 . 1 . 1 49 49 ILE CA C 13 62.799 0.05 . . . . . . . 189 ILE CA . 53442 1 149 . 1 . 1 49 49 ILE CB C 13 38.400 0.00 . . . . . . . 189 ILE CB . 53442 1 150 . 1 . 1 49 49 ILE N N 15 120.775 0.10 . . . . . . . 189 ILE N . 53442 1 151 . 1 . 1 50 50 ARG H H 1 8.126 0.00 . . . . . . . 190 ARG HN . 53442 1 152 . 1 . 1 50 50 ARG CA C 13 57.922 0.00 . . . . . . . 190 ARG CA . 53442 1 153 . 1 . 1 50 50 ARG CB C 13 30.257 0.00 . . . . . . . 190 ARG CB . 53442 1 154 . 1 . 1 50 50 ARG N N 15 122.523 0.00 . . . . . . . 190 ARG N . 53442 1 155 . 1 . 1 51 51 ALA H H 1 8.123 0.02 . . . . . . . 191 ALA HN . 53442 1 156 . 1 . 1 51 51 ALA CA C 13 54.122 0.07 . . . . . . . 191 ALA CA . 53442 1 157 . 1 . 1 51 51 ALA CB C 13 18.824 0.07 . . . . . . . 191 ALA CB . 53442 1 158 . 1 . 1 51 51 ALA N N 15 122.424 0.15 . . . . . . . 191 ALA N . 53442 1 159 . 1 . 1 52 52 GLU H H 1 8.278 0.01 . . . . . . . 192 GLU HN . 53442 1 160 . 1 . 1 52 52 GLU CA C 13 57.767 0.07 . . . . . . . 192 GLU CA . 53442 1 161 . 1 . 1 52 52 GLU CB C 13 29.822 0.17 . . . . . . . 192 GLU CB . 53442 1 162 . 1 . 1 52 52 GLU N N 15 119.128 0.09 . . . . . . . 192 GLU N . 53442 1 163 . 1 . 1 53 53 MET H H 1 8.100 0.01 . . . . . . . 193 MET HN . 53442 1 164 . 1 . 1 53 53 MET CA C 13 56.838 0.06 . . . . . . . 193 MET CA . 53442 1 165 . 1 . 1 53 53 MET CB C 13 32.332 0.04 . . . . . . . 193 MET CB . 53442 1 166 . 1 . 1 53 53 MET N N 15 119.355 0.10 . . . . . . . 193 MET N . 53442 1 167 . 1 . 1 54 54 PHE H H 1 8.043 0.01 . . . . . . . 194 PHE HN . 53442 1 168 . 1 . 1 54 54 PHE CA C 13 58.408 0.05 . . . . . . . 194 PHE CA . 53442 1 169 . 1 . 1 54 54 PHE CB C 13 39.368 0.05 . . . . . . . 194 PHE CB . 53442 1 170 . 1 . 1 54 54 PHE N N 15 119.747 0.13 . . . . . . . 194 PHE N . 53442 1 171 . 1 . 1 55 55 ALA H H 1 8.035 0.01 . . . . . . . 195 ALA HN . 53442 1 172 . 1 . 1 55 55 ALA CA C 13 53.091 0.03 . . . . . . . 195 ALA CA . 53442 1 173 . 1 . 1 55 55 ALA CB C 13 19.113 0.02 . . . . . . . 195 ALA CB . 53442 1 174 . 1 . 1 55 55 ALA N N 15 123.940 0.17 . . . . . . . 195 ALA N . 53442 1 175 . 1 . 1 56 56 LYS H H 1 8.085 0.01 . . . . . . . 196 LYS HN . 53442 1 176 . 1 . 1 56 56 LYS CA C 13 56.712 0.06 . . . . . . . 196 LYS CA . 53442 1 177 . 1 . 1 56 56 LYS CB C 13 32.829 0.01 . . . . . . . 196 LYS CB . 53442 1 178 . 1 . 1 56 56 LYS N N 15 119.261 0.13 . . . . . . . 196 LYS N . 53442 1 179 . 1 . 1 57 57 GLY H H 1 8.222 0.02 . . . . . . . 197 GLY HN . 53442 1 180 . 1 . 1 57 57 GLY CA C 13 45.270 0.07 . . . . . . . 197 GLY CA . 53442 1 181 . 1 . 1 57 57 GLY N N 15 109.328 0.11 . . . . . . . 197 GLY N . 53442 1 182 . 1 . 1 58 58 GLN H H 1 8.517 0.01 . . . . . . . 198 GLN HN . 53442 1 183 . 1 . 1 58 58 GLN CA C 13 56.177 0.01 . . . . . . . 198 GLN CA . 53442 1 184 . 1 . 1 58 58 GLN CB C 13 29.420 0.00 . . . . . . . 198 GLN CB . 53442 1 185 . 1 . 1 58 58 GLN N N 15 120.303 0.10 . . . . . . . 198 GLN N . 53442 1 186 . 1 . 1 59 59 PRO CA C 13 63.053 0.10 . . . . . . . 199 PRO CA . 53442 1 187 . 1 . 1 59 59 PRO CB C 13 32.024 0.04 . . . . . . . 199 PRO CB . 53442 1 188 . 1 . 1 59 59 PRO CG C 13 27.521 0.00 . . . . . . . 199 PRO CG . 53442 1 189 . 1 . 1 60 60 VAL H H 1 8.145 0.01 . . . . . . . 200 VAL HN . 53442 1 190 . 1 . 1 60 60 VAL CA C 13 61.934 0.03 . . . . . . . 200 VAL CA . 53442 1 191 . 1 . 1 60 60 VAL CB C 13 32.966 0.04 . . . . . . . 200 VAL CB . 53442 1 192 . 1 . 1 60 60 VAL CG1 C 13 21.086 0.00 . . . . . . . 200 VAL CG# . 53442 1 193 . 1 . 1 60 60 VAL CG2 C 13 21.086 0.00 . . . . . . . 200 VAL CG# . 53442 1 194 . 1 . 1 60 60 VAL N N 15 120.410 0.11 . . . . . . . 200 VAL N . 53442 1 195 . 1 . 1 61 61 ALA H H 1 8.283 0.01 . . . . . . . 201 ALA HN . 53442 1 196 . 1 . 1 61 61 ALA CA C 13 50.319 0.06 . . . . . . . 201 ALA CA . 53442 1 197 . 1 . 1 61 61 ALA CB C 13 18.535 0.00 . . . . . . . 201 ALA CB . 53442 1 198 . 1 . 1 61 61 ALA N N 15 129.026 0.10 . . . . . . . 201 ALA N . 53442 1 199 . 1 . 1 62 62 PRO CA C 13 63.169 0.05 . . . . . . . 202 PRO CA . 53442 1 200 . 1 . 1 62 62 PRO CB C 13 31.828 0.05 . . . . . . . 202 PRO CB . 53442 1 201 . 1 . 1 62 62 PRO CG C 13 27.368 0.00 . . . . . . . 202 PRO CG . 53442 1 202 . 1 . 1 63 63 TYR H H 1 7.953 0.01 . . . . . . . 203 TYR HN . 53442 1 203 . 1 . 1 63 63 TYR CA C 13 57.624 0.12 . . . . . . . 203 TYR CA . 53442 1 204 . 1 . 1 63 63 TYR CB C 13 38.622 0.01 . . . . . . . 203 TYR CB . 53442 1 205 . 1 . 1 63 63 TYR N N 15 119.434 0.11 . . . . . . . 203 TYR N . 53442 1 206 . 1 . 1 64 64 ASN H H 1 8.248 0.01 . . . . . . . 204 ASN HN . 53442 1 207 . 1 . 1 64 64 ASN HD21 H 1 7.569 0.00 . . . . . . . 204 ASN HD21 . 53442 1 208 . 1 . 1 64 64 ASN HD22 H 1 6.889 0.00 . . . . . . . 204 ASN HD22 . 53442 1 209 . 1 . 1 64 64 ASN CA C 13 53.162 0.12 . . . . . . . 204 ASN CA . 53442 1 210 . 1 . 1 64 64 ASN CB C 13 39.009 0.03 . . . . . . . 204 ASN CB . 53442 1 211 . 1 . 1 64 64 ASN N N 15 120.427 0.21 . . . . . . . 204 ASN N . 53442 1 212 . 1 . 1 64 64 ASN ND2 N 15 112.405 0.03 . . . . . . . 204 ASN ND2 . 53442 1 213 . 1 . 1 65 65 THR H H 1 8.085 0.00 . . . . . . . 205 THR HN . 53442 1 214 . 1 . 1 65 65 THR CA C 13 62.254 0.07 . . . . . . . 205 THR CA . 53442 1 215 . 1 . 1 65 65 THR CB C 13 69.502 0.11 . . . . . . . 205 THR CB . 53442 1 216 . 1 . 1 65 65 THR CG2 C 13 21.660 0.00 . . . . . . . 205 THR CG2 . 53442 1 217 . 1 . 1 65 65 THR N N 15 114.155 0.11 . . . . . . . 205 THR N . 53442 1 218 . 1 . 1 66 66 THR H H 1 8.110 0.01 . . . . . . . 206 THR HN . 53442 1 219 . 1 . 1 66 66 THR CA C 13 62.499 0.04 . . . . . . . 206 THR CA . 53442 1 220 . 1 . 1 66 66 THR CB C 13 69.512 0.02 . . . . . . . 206 THR CB . 53442 1 221 . 1 . 1 66 66 THR N N 15 115.846 0.14 . . . . . . . 206 THR N . 53442 1 222 . 1 . 1 67 67 GLN H H 1 8.182 0.00 . . . . . . . 207 GLN HN . 53442 1 223 . 1 . 1 67 67 GLN CA C 13 56.171 0.04 . . . . . . . 207 GLN CA . 53442 1 224 . 1 . 1 67 67 GLN CB C 13 29.459 0.04 . . . . . . . 207 GLN CB . 53442 1 225 . 1 . 1 67 67 GLN CG C 13 33.652 0.00 . . . . . . . 207 GLN CG . 53442 1 226 . 1 . 1 67 67 GLN N N 15 122.318 0.12 . . . . . . . 207 GLN N . 53442 1 227 . 1 . 1 68 68 PHE H H 1 8.105 0.01 . . . . . . . 208 PHE HN . 53442 1 228 . 1 . 1 68 68 PHE CA C 13 57.704 0.04 . . . . . . . 208 PHE CA . 53442 1 229 . 1 . 1 68 68 PHE CB C 13 39.480 0.02 . . . . . . . 208 PHE CB . 53442 1 230 . 1 . 1 68 68 PHE N N 15 120.819 0.15 . . . . . . . 208 PHE N . 53442 1 231 . 1 . 1 69 69 LEU H H 1 8.096 0.01 . . . . . . . 209 LEU HN . 53442 1 232 . 1 . 1 69 69 LEU CA C 13 55.174 0.08 . . . . . . . 209 LEU CA . 53442 1 233 . 1 . 1 69 69 LEU CB C 13 42.499 0.03 . . . . . . . 209 LEU CB . 53442 1 234 . 1 . 1 69 69 LEU CD2 C 13 23.589 0.00 . . . . . . . 209 LEU CD2 . 53442 1 235 . 1 . 1 69 69 LEU N N 15 123.322 0.14 . . . . . . . 209 LEU N . 53442 1 236 . 1 . 1 70 70 MET H H 1 8.243 0.01 . . . . . . . 210 MET HN . 53442 1 237 . 1 . 1 70 70 MET CA C 13 55.530 0.03 . . . . . . . 210 MET CA . 53442 1 238 . 1 . 1 70 70 MET CB C 13 33.043 0.04 . . . . . . . 210 MET CB . 53442 1 239 . 1 . 1 70 70 MET CG C 13 32.144 0.00 . . . . . . . 210 MET CG . 53442 1 240 . 1 . 1 70 70 MET N N 15 121.020 0.11 . . . . . . . 210 MET N . 53442 1 241 . 1 . 1 71 71 ASP H H 1 8.279 0.01 . . . . . . . 211 ASP HN . 53442 1 242 . 1 . 1 71 71 ASP CA C 13 54.256 0.02 . . . . . . . 211 ASP CA . 53442 1 243 . 1 . 1 71 71 ASP CB C 13 41.389 0.00 . . . . . . . 211 ASP CB . 53442 1 244 . 1 . 1 71 71 ASP N N 15 121.643 0.12 . . . . . . . 211 ASP N . 53442 1 245 . 1 . 1 72 72 ASP H H 1 8.257 0.01 . . . . . . . 212 ASP HN . 53442 1 246 . 1 . 1 72 72 ASP CA C 13 54.317 0.07 . . . . . . . 212 ASP CA . 53442 1 247 . 1 . 1 72 72 ASP CB C 13 41.017 0.01 . . . . . . . 212 ASP CB . 53442 1 248 . 1 . 1 72 72 ASP N N 15 120.891 0.12 . . . . . . . 212 ASP N . 53442 1 249 . 1 . 1 73 73 HIS H H 1 8.380 0.01 . . . . . . . 213 HIS HN . 53442 1 250 . 1 . 1 73 73 HIS CA C 13 55.831 0.04 . . . . . . . 213 HIS CA . 53442 1 251 . 1 . 1 73 73 HIS CB C 13 29.119 0.06 . . . . . . . 213 HIS CB . 53442 1 252 . 1 . 1 73 73 HIS N N 15 118.649 0.12 . . . . . . . 213 HIS N . 53442 1 253 . 1 . 1 74 74 ASP H H 1 8.428 0.01 . . . . . . . 214 ASP HN . 53442 1 254 . 1 . 1 74 74 ASP CA C 13 54.653 0.15 . . . . . . . 214 ASP CA . 53442 1 255 . 1 . 1 74 74 ASP CB C 13 41.113 0.04 . . . . . . . 214 ASP CB . 53442 1 256 . 1 . 1 74 74 ASP N N 15 121.272 0.13 . . . . . . . 214 ASP N . 53442 1 257 . 1 . 1 75 75 GLN H H 1 8.268 0.01 . . . . . . . 215 GLN HN . 53442 1 258 . 1 . 1 75 75 GLN CA C 13 55.802 0.09 . . . . . . . 215 GLN CA . 53442 1 259 . 1 . 1 75 75 GLN CB C 13 29.618 0.09 . . . . . . . 215 GLN CB . 53442 1 260 . 1 . 1 75 75 GLN CG C 13 33.855 0.00 . . . . . . . 215 GLN CG . 53442 1 261 . 1 . 1 75 75 GLN N N 15 120.028 0.12 . . . . . . . 215 GLN N . 53442 1 262 . 1 . 1 76 76 GLU H H 1 8.351 0.00 . . . . . . . 216 GLU HN . 53442 1 263 . 1 . 1 76 76 GLU CA C 13 56.418 0.07 . . . . . . . 216 GLU CA . 53442 1 264 . 1 . 1 76 76 GLU CB C 13 30.541 0.05 . . . . . . . 216 GLU CB . 53442 1 265 . 1 . 1 76 76 GLU CG C 13 36.276 0.00 . . . . . . . 216 GLU CG . 53442 1 266 . 1 . 1 76 76 GLU N N 15 122.006 0.16 . . . . . . . 216 GLU N . 53442 1 267 . 1 . 1 77 77 GLU H H 1 8.414 0.00 . . . . . . . 217 GLU HN . 53442 1 268 . 1 . 1 77 77 GLU CB C 13 29.921 0.00 . . . . . . . 217 GLU CB . 53442 1 269 . 1 . 1 77 77 GLU N N 15 123.235 0.14 . . . . . . . 217 GLU N . 53442 1 270 . 1 . 1 78 78 PRO CA C 13 63.346 0.06 . . . . . . . 218 PRO CA . 53442 1 271 . 1 . 1 78 78 PRO CB C 13 32.080 0.07 . . . . . . . 218 PRO CB . 53442 1 272 . 1 . 1 78 78 PRO CG C 13 27.277 0.00 . . . . . . . 218 PRO CG . 53442 1 273 . 1 . 1 79 79 ASP H H 1 8.400 0.00 . . . . . . . 219 ASP HN . 53442 1 274 . 1 . 1 79 79 ASP CA C 13 54.276 0.03 . . . . . . . 219 ASP CA . 53442 1 275 . 1 . 1 79 79 ASP CB C 13 41.071 0.08 . . . . . . . 219 ASP CB . 53442 1 276 . 1 . 1 79 79 ASP N N 15 119.993 0.12 . . . . . . . 219 ASP N . 53442 1 277 . 1 . 1 80 80 LEU H H 1 8.161 0.01 . . . . . . . 220 LEU HN . 53442 1 278 . 1 . 1 80 80 LEU CA C 13 55.684 0.07 . . . . . . . 220 LEU CA . 53442 1 279 . 1 . 1 80 80 LEU CB C 13 42.182 0.03 . . . . . . . 220 LEU CB . 53442 1 280 . 1 . 1 80 80 LEU CG C 13 26.987 0.00 . . . . . . . 220 LEU CG . 53442 1 281 . 1 . 1 80 80 LEU CD1 C 13 25.011 0.00 . . . . . . . 220 LEU CD1 . 53442 1 282 . 1 . 1 80 80 LEU CD2 C 13 23.498 0.00 . . . . . . . 220 LEU CD2 . 53442 1 283 . 1 . 1 80 80 LEU N N 15 123.292 0.08 . . . . . . . 220 LEU N . 53442 1 284 . 1 . 1 81 81 LYS H H 1 8.338 0.01 . . . . . . . 221 LYS HN . 53442 1 285 . 1 . 1 81 81 LYS CA C 13 56.985 0.03 . . . . . . . 221 LYS CA . 53442 1 286 . 1 . 1 81 81 LYS CB C 13 32.561 0.03 . . . . . . . 221 LYS CB . 53442 1 287 . 1 . 1 81 81 LYS CG C 13 24.967 0.00 . . . . . . . 221 LYS CG . 53442 1 288 . 1 . 1 81 81 LYS CD C 13 29.328 0.00 . . . . . . . 221 LYS CD . 53442 1 289 . 1 . 1 81 81 LYS N N 15 120.617 0.16 . . . . . . . 221 LYS N . 53442 1 290 . 1 . 1 82 82 THR H H 1 7.979 0.00 . . . . . . . 222 THR HN . 53442 1 291 . 1 . 1 82 82 THR CA C 13 62.294 0.06 . . . . . . . 222 THR CA . 53442 1 292 . 1 . 1 82 82 THR CB C 13 69.691 0.17 . . . . . . . 222 THR CB . 53442 1 293 . 1 . 1 82 82 THR CG2 C 13 21.627 0.00 . . . . . . . 222 THR CG2 . 53442 1 294 . 1 . 1 82 82 THR N N 15 112.905 0.18 . . . . . . . 222 THR N . 53442 1 295 . 1 . 1 83 83 GLY H H 1 8.319 0.00 . . . . . . . 223 GLY HN . 53442 1 296 . 1 . 1 83 83 GLY CA C 13 45.605 0.04 . . . . . . . 223 GLY CA . 53442 1 297 . 1 . 1 83 83 GLY N N 15 110.706 0.15 . . . . . . . 223 GLY N . 53442 1 298 . 1 . 1 84 84 LEU H H 1 7.969 0.01 . . . . . . . 224 LEU HN . 53442 1 299 . 1 . 1 84 84 LEU CA C 13 55.550 0.08 . . . . . . . 224 LEU CA . 53442 1 300 . 1 . 1 84 84 LEU CB C 13 42.434 0.03 . . . . . . . 224 LEU CB . 53442 1 301 . 1 . 1 84 84 LEU CD1 C 13 24.766 0.00 . . . . . . . 224 LEU CD# . 53442 1 302 . 1 . 1 84 84 LEU CD2 C 13 24.766 0.00 . . . . . . . 224 LEU CD# . 53442 1 303 . 1 . 1 84 84 LEU N N 15 121.624 0.11 . . . . . . . 224 LEU N . 53442 1 304 . 1 . 1 85 85 TYR H H 1 8.161 0.01 . . . . . . . 225 TYR HN . 53442 1 305 . 1 . 1 85 85 TYR CA C 13 57.923 0.05 . . . . . . . 225 TYR CA . 53442 1 306 . 1 . 1 85 85 TYR CB C 13 38.555 0.02 . . . . . . . 225 TYR CB . 53442 1 307 . 1 . 1 85 85 TYR N N 15 119.890 0.08 . . . . . . . 225 TYR N . 53442 1 308 . 1 . 1 86 86 SER H H 1 8.061 0.01 . . . . . . . 226 SER HN . 53442 1 309 . 1 . 1 86 86 SER CA C 13 58.472 0.05 . . . . . . . 226 SER CA . 53442 1 310 . 1 . 1 86 86 SER CB C 13 63.755 0.11 . . . . . . . 226 SER CB . 53442 1 311 . 1 . 1 86 86 SER N N 15 116.977 0.11 . . . . . . . 226 SER N . 53442 1 312 . 1 . 1 87 87 LYS H H 1 8.249 0.01 . . . . . . . 227 LYS HN . 53442 1 313 . 1 . 1 87 87 LYS CA C 13 56.656 0.01 . . . . . . . 227 LYS CA . 53442 1 314 . 1 . 1 87 87 LYS CB C 13 33.007 0.07 . . . . . . . 227 LYS CB . 53442 1 315 . 1 . 1 87 87 LYS CG C 13 24.932 0.00 . . . . . . . 227 LYS CG . 53442 1 316 . 1 . 1 87 87 LYS CD C 13 29.265 0.00 . . . . . . . 227 LYS CD . 53442 1 317 . 1 . 1 87 87 LYS N N 15 123.449 0.12 . . . . . . . 227 LYS N . 53442 1 318 . 1 . 1 88 88 ARG H H 1 8.242 0.01 . . . . . . . 228 ARG HN . 53442 1 319 . 1 . 1 88 88 ARG CA C 13 56.304 0.04 . . . . . . . 228 ARG CA . 53442 1 320 . 1 . 1 88 88 ARG CB C 13 30.859 0.04 . . . . . . . 228 ARG CB . 53442 1 321 . 1 . 1 88 88 ARG CG C 13 27.141 0.00 . . . . . . . 228 ARG CG . 53442 1 322 . 1 . 1 88 88 ARG CD C 13 43.401 0.00 . . . . . . . 228 ARG CD . 53442 1 323 . 1 . 1 88 88 ARG N N 15 122.209 0.10 . . . . . . . 228 ARG N . 53442 1 324 . 1 . 1 89 89 ALA H H 1 8.282 0.01 . . . . . . . 229 ALA HN . 53442 1 325 . 1 . 1 89 89 ALA CA C 13 52.589 0.20 . . . . . . . 229 ALA CA . 53442 1 326 . 1 . 1 89 89 ALA CB C 13 19.293 0.03 . . . . . . . 229 ALA CB . 53442 1 327 . 1 . 1 89 89 ALA N N 15 125.518 0.11 . . . . . . . 229 ALA N . 53442 1 328 . 1 . 1 90 90 ALA H H 1 8.174 0.00 . . . . . . . 230 ALA HN . 53442 1 329 . 1 . 1 90 90 ALA CA C 13 52.204 0.19 . . . . . . . 230 ALA CA . 53442 1 330 . 1 . 1 90 90 ALA CB C 13 19.392 0.00 . . . . . . . 230 ALA CB . 53442 1 331 . 1 . 1 90 90 ALA N N 15 123.391 0.14 . . . . . . . 230 ALA N . 53442 1 332 . 1 . 1 91 91 ALA H H 1 8.180 0.00 . . . . . . . 231 ALA HN . 53442 1 333 . 1 . 1 91 91 ALA CA C 13 52.228 0.17 . . . . . . . 231 ALA CA . 53442 1 334 . 1 . 1 91 91 ALA CB C 13 19.432 0.01 . . . . . . . 231 ALA CB . 53442 1 335 . 1 . 1 91 91 ALA N N 15 123.257 0.00 . . . . . . . 231 ALA N . 53442 1 336 . 1 . 1 92 92 LYS H H 1 8.278 0.01 . . . . . . . 232 LYS HN . 53442 1 337 . 1 . 1 92 92 LYS CA C 13 56.248 0.07 . . . . . . . 232 LYS CA . 53442 1 338 . 1 . 1 92 92 LYS CB C 13 33.178 0.02 . . . . . . . 232 LYS CB . 53442 1 339 . 1 . 1 92 92 LYS CG C 13 24.669 0.00 . . . . . . . 232 LYS CG . 53442 1 340 . 1 . 1 92 92 LYS CD C 13 29.004 0.00 . . . . . . . 232 LYS CD . 53442 1 341 . 1 . 1 92 92 LYS N N 15 120.991 0.12 . . . . . . . 232 LYS N . 53442 1 342 . 1 . 1 93 93 SER H H 1 8.390 0.01 . . . . . . . 233 SER HN . 53442 1 343 . 1 . 1 93 93 SER CA C 13 58.376 0.03 . . . . . . . 233 SER CA . 53442 1 344 . 1 . 1 93 93 SER CB C 13 63.846 0.08 . . . . . . . 233 SER CB . 53442 1 345 . 1 . 1 93 93 SER N N 15 117.410 0.14 . . . . . . . 233 SER N . 53442 1 346 . 1 . 1 94 94 ASP H H 1 8.373 0.00 . . . . . . . 234 ASP HN . 53442 1 347 . 1 . 1 94 94 ASP CA C 13 54.314 0.09 . . . . . . . 234 ASP CA . 53442 1 348 . 1 . 1 94 94 ASP CB C 13 41.341 0.23 . . . . . . . 234 ASP CB . 53442 1 349 . 1 . 1 94 94 ASP N N 15 122.208 0.14 . . . . . . . 234 ASP N . 53442 1 350 . 1 . 1 95 95 ASP H H 1 8.260 0.01 . . . . . . . 235 ASP HN . 53442 1 351 . 1 . 1 95 95 ASP CA C 13 54.366 0.05 . . . . . . . 235 ASP CA . 53442 1 352 . 1 . 1 95 95 ASP CB C 13 41.142 0.05 . . . . . . . 235 ASP CB . 53442 1 353 . 1 . 1 95 95 ASP N N 15 120.539 0.06 . . . . . . . 235 ASP N . 53442 1 354 . 1 . 1 96 96 THR H H 1 8.120 0.01 . . . . . . . 236 THR HN . 53442 1 355 . 1 . 1 96 96 THR CA C 13 61.865 0.05 . . . . . . . 236 THR CA . 53442 1 356 . 1 . 1 96 96 THR CB C 13 69.685 0.18 . . . . . . . 236 THR CB . 53442 1 357 . 1 . 1 96 96 THR CG2 C 13 21.544 0.00 . . . . . . . 236 THR CG2 . 53442 1 358 . 1 . 1 96 96 THR N N 15 114.072 0.11 . . . . . . . 236 THR N . 53442 1 359 . 1 . 1 97 97 SER H H 1 8.380 0.01 . . . . . . . 237 SER HN . 53442 1 360 . 1 . 1 97 97 SER CA C 13 58.498 0.01 . . . . . . . 237 SER CA . 53442 1 361 . 1 . 1 97 97 SER CB C 13 64.010 0.15 . . . . . . . 237 SER CB . 53442 1 362 . 1 . 1 97 97 SER N N 15 118.414 0.11 . . . . . . . 237 SER N . 53442 1 363 . 1 . 1 98 98 ASP H H 1 8.409 0.00 . . . . . . . 238 ASP HN . 53442 1 364 . 1 . 1 98 98 ASP CA C 13 54.495 0.02 . . . . . . . 238 ASP CA . 53442 1 365 . 1 . 1 98 98 ASP CB C 13 41.261 0.00 . . . . . . . 238 ASP CB . 53442 1 366 . 1 . 1 98 98 ASP N N 15 122.886 0.16 . . . . . . . 238 ASP N . 53442 1 367 . 1 . 1 99 99 ASP H H 1 8.190 0.01 . . . . . . . 239 ASP HN . 53442 1 368 . 1 . 1 99 99 ASP CA C 13 54.574 0.05 . . . . . . . 239 ASP CA . 53442 1 369 . 1 . 1 99 99 ASP CB C 13 41.234 0.01 . . . . . . . 239 ASP CB . 53442 1 370 . 1 . 1 99 99 ASP N N 15 120.435 0.13 . . . . . . . 239 ASP N . 53442 1 371 . 1 . 1 100 100 ASP H H 1 8.201 0.01 . . . . . . . 240 ASP HN . 53442 1 372 . 1 . 1 100 100 ASP CA C 13 54.397 0.03 . . . . . . . 240 ASP CA . 53442 1 373 . 1 . 1 100 100 ASP CB C 13 41.073 0.04 . . . . . . . 240 ASP CB . 53442 1 374 . 1 . 1 100 100 ASP N N 15 120.489 0.13 . . . . . . . 240 ASP N . 53442 1 375 . 1 . 1 101 101 PHE H H 1 8.063 0.00 . . . . . . . 241 PHE HN . 53442 1 376 . 1 . 1 101 101 PHE CA C 13 57.837 0.15 . . . . . . . 241 PHE CA . 53442 1 377 . 1 . 1 101 101 PHE CB C 13 39.423 0.04 . . . . . . . 241 PHE CB . 53442 1 378 . 1 . 1 101 101 PHE N N 15 120.431 0.19 . . . . . . . 241 PHE N . 53442 1 379 . 1 . 1 102 102 MET H H 1 8.089 0.01 . . . . . . . 242 MET HN . 53442 1 380 . 1 . 1 102 102 MET CA C 13 55.197 0.05 . . . . . . . 242 MET CA . 53442 1 381 . 1 . 1 102 102 MET CB C 13 33.228 0.04 . . . . . . . 242 MET CB . 53442 1 382 . 1 . 1 102 102 MET CG C 13 31.843 0.00 . . . . . . . 242 MET CG . 53442 1 383 . 1 . 1 102 102 MET N N 15 122.903 0.37 . . . . . . . 242 MET N . 53442 1 384 . 1 . 1 103 103 GLU H H 1 8.319 0.01 . . . . . . . 243 GLU HN . 53442 1 385 . 1 . 1 103 103 GLU CA C 13 56.487 0.04 . . . . . . . 243 GLU CA . 53442 1 386 . 1 . 1 103 103 GLU CB C 13 30.339 0.03 . . . . . . . 243 GLU CB . 53442 1 387 . 1 . 1 103 103 GLU CG C 13 36.075 0.00 . . . . . . . 243 GLU CG . 53442 1 388 . 1 . 1 103 103 GLU N N 15 122.920 0.10 . . . . . . . 243 GLU N . 53442 1 389 . 1 . 1 104 104 GLU H H 1 8.498 0.00 . . . . . . . 244 GLU HN . 53442 1 390 . 1 . 1 104 104 GLU CA C 13 56.651 0.04 . . . . . . . 244 GLU CA . 53442 1 391 . 1 . 1 104 104 GLU CB C 13 30.456 0.02 . . . . . . . 244 GLU CB . 53442 1 392 . 1 . 1 104 104 GLU CG C 13 36.165 0.00 . . . . . . . 244 GLU CG . 53442 1 393 . 1 . 1 104 104 GLU N N 15 122.699 0.16 . . . . . . . 244 GLU N . 53442 1 394 . 1 . 1 105 105 GLY H H 1 8.522 0.00 . . . . . . . 245 GLY HN . 53442 1 395 . 1 . 1 105 105 GLY CA C 13 45.430 0.01 . . . . . . . 245 GLY CA . 53442 1 396 . 1 . 1 105 105 GLY N N 15 110.576 0.14 . . . . . . . 245 GLY N . 53442 1 397 . 1 . 1 106 106 GLY H H 1 8.318 0.01 . . . . . . . 246 GLY HN . 53442 1 398 . 1 . 1 106 106 GLY CA C 13 45.205 0.06 . . . . . . . 246 GLY CA . 53442 1 399 . 1 . 1 106 106 GLY N N 15 109.012 0.12 . . . . . . . 246 GLY N . 53442 1 400 . 1 . 1 107 107 GLU H H 1 8.454 0.01 . . . . . . . 247 GLU HN . 53442 1 401 . 1 . 1 107 107 GLU CA C 13 56.640 0.03 . . . . . . . 247 GLU CA . 53442 1 402 . 1 . 1 107 107 GLU CB C 13 30.387 0.07 . . . . . . . 247 GLU CB . 53442 1 403 . 1 . 1 107 107 GLU CG C 13 36.089 0.00 . . . . . . . 247 GLU CG . 53442 1 404 . 1 . 1 107 107 GLU N N 15 120.695 0.11 . . . . . . . 247 GLU N . 53442 1 405 . 1 . 1 108 108 GLU H H 1 8.564 0.01 . . . . . . . 248 GLU HN . 53442 1 406 . 1 . 1 108 108 GLU CA C 13 56.612 0.07 . . . . . . . 248 GLU CA . 53442 1 407 . 1 . 1 108 108 GLU CB C 13 30.235 0.09 . . . . . . . 248 GLU CB . 53442 1 408 . 1 . 1 108 108 GLU CG C 13 36.081 0.00 . . . . . . . 248 GLU CG . 53442 1 409 . 1 . 1 108 108 GLU N N 15 122.069 0.14 . . . . . . . 248 GLU N . 53442 1 410 . 1 . 1 109 109 ASP H H 1 8.400 0.01 . . . . . . . 249 ASP HN . 53442 1 411 . 1 . 1 109 109 ASP CA C 13 54.347 0.04 . . . . . . . 249 ASP CA . 53442 1 412 . 1 . 1 109 109 ASP CB C 13 41.269 0.11 . . . . . . . 249 ASP CB . 53442 1 413 . 1 . 1 109 109 ASP N N 15 121.934 0.17 . . . . . . . 249 ASP N . 53442 1 414 . 1 . 1 110 110 GLY H H 1 8.403 0.01 . . . . . . . 250 GLY HN . 53442 1 415 . 1 . 1 110 110 GLY CA C 13 45.544 0.03 . . . . . . . 250 GLY CA . 53442 1 416 . 1 . 1 110 110 GLY N N 15 110.049 0.12 . . . . . . . 250 GLY N . 53442 1 417 . 1 . 1 111 111 GLY H H 1 8.334 0.01 . . . . . . . 251 GLY HN . 53442 1 418 . 1 . 1 111 111 GLY CA C 13 45.345 0.07 . . . . . . . 251 GLY CA . 53442 1 419 . 1 . 1 111 111 GLY N N 15 109.126 0.10 . . . . . . . 251 GLY N . 53442 1 420 . 1 . 1 112 112 SER H H 1 8.259 0.01 . . . . . . . 252 SER HN . 53442 1 421 . 1 . 1 112 112 SER CA C 13 58.121 0.04 . . . . . . . 252 SER CA . 53442 1 422 . 1 . 1 112 112 SER CB C 13 64.292 0.07 . . . . . . . 252 SER CB . 53442 1 423 . 1 . 1 112 112 SER N N 15 115.792 0.10 . . . . . . . 252 SER N . 53442 1 424 . 1 . 1 113 113 ASP H H 1 8.072 0.01 . . . . . . . 253 ASP HN . 53442 1 425 . 1 . 1 113 113 ASP CA C 13 55.977 0.05 . . . . . . . 253 ASP CA . 53442 1 426 . 1 . 1 113 113 ASP CB C 13 42.218 0.00 . . . . . . . 253 ASP CB . 53442 1 427 . 1 . 1 113 113 ASP N N 15 127.777 0.12 . . . . . . . 253 ASP N . 53442 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53442 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name '7SK Site1 RNA bound Hexim1 BR-L-AR backbone and sidechain assignments' _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 "Minor species (1): G197' -- Q198' -- P199' -- V200' -- A201'." _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53442 2 2 '3D CBCA(CO)NH' . . . 53442 2 3 '3D HNCA' . . . 53442 2 4 '3D HNCACB' . . . 53442 2 5 '3D C(CO)NH' . . . 53442 2 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 4 $software_4 . . 53442 2 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 57 57 GLY CA C 13 45.297 0.07 . . . . . . . 197 GLY CA . 53442 2 2 . 1 . 1 58 58 GLN H H 1 8.033 0.00 . . . . . . . 198 GLN HN . 53442 2 3 . 1 . 1 58 58 GLN CA C 13 53.482 0.01 . . . . . . . 198 GLN CA . 53442 2 4 . 1 . 1 58 58 GLN CB C 13 29.083 0.00 . . . . . . . 198 GLN CB . 53442 2 5 . 1 . 1 58 58 GLN N N 15 120.640 0.07 . . . . . . . 198 GLN N . 53442 2 6 . 1 . 1 59 59 PRO CA C 13 63.127 0.00 . . . . . . . 199 PRO CA . 53442 2 7 . 1 . 1 59 59 PRO CB C 13 32.043 0.00 . . . . . . . 199 PRO CB . 53442 2 8 . 1 . 1 60 60 VAL H H 1 8.046 0.00 . . . . . . . 200 VAL HN . 53442 2 9 . 1 . 1 60 60 VAL CA C 13 60.831 0.10 . . . . . . . 200 VAL CA . 53442 2 10 . 1 . 1 60 60 VAL CB C 13 33.739 0.00 . . . . . . . 200 VAL CB . 53442 2 11 . 1 . 1 60 60 VAL N N 15 119.360 0.07 . . . . . . . 200 VAL N . 53442 2 12 . 1 . 1 61 61 ALA H H 1 8.202 0.00 . . . . . . . 201 ALA HN . 53442 2 13 . 1 . 1 61 61 ALA CA C 13 50.924 0.02 . . . . . . . 201 ALA CA . 53442 2 14 . 1 . 1 61 61 ALA CB C 13 18.077 0.00 . . . . . . . 201 ALA CB . 53442 2 15 . 1 . 1 61 61 ALA N N 15 127.192 0.04 . . . . . . . 201 ALA N . 53442 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 53442 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name '7SK Site1 RNA bound Hexim1 BR-L-AR backbone and sidechain assignments' _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 "Minor species (2): Q198''." _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53442 3 2 '3D CBCA(CO)NH' . . . 53442 3 3 '3D HNCA' . . . 53442 3 4 '3D HNCACB' . . . 53442 3 5 '3D C(CO)NH' . . . 53442 3 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 4 $software_4 . . 53442 3 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 58 58 GLN H H 1 7.806 0.0 . . . . . . . 198 GLN HN . 53442 3 2 . 1 . 1 58 58 GLN CA C 13 53.163 0.04 . . . . . . . 198 GLN CA . 53442 3 3 . 1 . 1 58 58 GLN CB C 13 29.853 0.0 . . . . . . . 198 GLN CB . 53442 3 4 . 1 . 1 58 58 GLN N N 15 118.386 0.01 . . . . . . . 198 GLN N . 53442 3 stop_ save_