data_51970 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51970 _Entry.Title ; RCD1-RST 499-572 in complex with ANAC013 161-274 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-18 _Entry.Accession_date 2023-05-18 _Entry.Last_release_date 2023-05-18 _Entry.Original_release_date 2023-05-18 _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 . _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 Elise Delaforge . . . 0000-0001-8014-5100 51970 2 Steffie Elkjaer . . . 0000-0001-6405-6319 51970 3 Amanda Due . D. . 0000-0002-1905-4311 51970 4 Martin Blackledge . . . 0000-0003-0935-721X 51970 5 Karen Skriver . . . 0000-0003-2225-4012 51970 6 Birthe Kragelund . B. . 0000-0003-2225-4012 51970 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Copenhagen University' . 51970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 51970 '15N chemical shifts' 60 51970 '1H chemical shifts' 60 51970 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 . . 2025-01-22 . original BMRB . 51970 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27034 '1H, 13C and 15N chemical shift assignments of A. thaliana RCD1(468-569)' 51970 BMRB 34151 'Solution structure of the complexed RCD1-RST' 51970 BMRB 50545 '1H, 13C and 15N NMR chemical shift assignment of A. thaliana RCD1 RST 487-589' 51970 BMRB 51056 'Chemical shifts and relaxation data from DREB2A with RCD1-RST' 51970 BMRB 51969 'Chemical shifts of ANAC013 161-274' 51970 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51970 _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 ; Allovalent scavenging of activation domains in the transcription factor ANAC013 gears transcriptional regulation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _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 . _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 Elise Delaforge . . . . 51970 1 2 Steffie Elkjaer . . . . 51970 1 3 Amanda Due . D. . . 51970 1 4 Martin Blackledge . . . . 51970 1 5 Karen Skriver . . . . 51970 1 6 Birthe Kragelund . B. . . 51970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51970 _Assembly.ID 1 _Assembly.Name 'RCD1-RST(499-572) and ANAC013(161-274)' _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21276.42 _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 RCD1-RST(499-572) 1 $entity_1 . . yes native no no . . . 51970 1 2 ANAC013(161-274) 2 $entity_2 . . no native no no . . . 51970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51970 _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 ; MSTTRPKSPWMPFPTLFAAI SHKVAENDMLLINADYQQLR DKKMTRAEFVRKLRVIVGDD LLRSTITTLQNQPKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M498-S572 _Entity.Polymer_author_seq_details 'M498 is not part of RCD1-RST sequence, residue left from cloning' _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 UNP M5BF30 . 'Radical-induced cell death 1' . . . . . . . . . . . . . . 51970 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Stress response, developmental process' 51970 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 1 498 MET . 51970 1 2 499 SER . 51970 1 3 500 THR . 51970 1 4 501 THR . 51970 1 5 502 ARG . 51970 1 6 503 PRO . 51970 1 7 504 LYS . 51970 1 8 505 SER . 51970 1 9 506 PRO . 51970 1 10 507 TRP . 51970 1 11 508 MET . 51970 1 12 509 PRO . 51970 1 13 510 PHE . 51970 1 14 511 PRO . 51970 1 15 512 THR . 51970 1 16 513 LEU . 51970 1 17 514 PHE . 51970 1 18 515 ALA . 51970 1 19 516 ALA . 51970 1 20 517 ILE . 51970 1 21 518 SER . 51970 1 22 519 HIS . 51970 1 23 520 LYS . 51970 1 24 521 VAL . 51970 1 25 522 ALA . 51970 1 26 523 GLU . 51970 1 27 524 ASN . 51970 1 28 525 ASP . 51970 1 29 526 MET . 51970 1 30 527 LEU . 51970 1 31 528 LEU . 51970 1 32 529 ILE . 51970 1 33 530 ASN . 51970 1 34 531 ALA . 51970 1 35 532 ASP . 51970 1 36 533 TYR . 51970 1 37 534 GLN . 51970 1 38 535 GLN . 51970 1 39 536 LEU . 51970 1 40 537 ARG . 51970 1 41 538 ASP . 51970 1 42 539 LYS . 51970 1 43 540 LYS . 51970 1 44 541 MET . 51970 1 45 542 THR . 51970 1 46 543 ARG . 51970 1 47 544 ALA . 51970 1 48 545 GLU . 51970 1 49 546 PHE . 51970 1 50 547 VAL . 51970 1 51 548 ARG . 51970 1 52 549 LYS . 51970 1 53 550 LEU . 51970 1 54 551 ARG . 51970 1 55 552 VAL . 51970 1 56 553 ILE . 51970 1 57 554 VAL . 51970 1 58 555 GLY . 51970 1 59 556 ASP . 51970 1 60 557 ASP . 51970 1 61 558 LEU . 51970 1 62 559 LEU . 51970 1 63 560 ARG . 51970 1 64 561 SER . 51970 1 65 562 THR . 51970 1 66 563 ILE . 51970 1 67 564 THR . 51970 1 68 565 THR . 51970 1 69 566 LEU . 51970 1 70 567 GLN . 51970 1 71 568 ASN . 51970 1 72 569 GLN . 51970 1 73 570 PRO . 51970 1 74 571 LYS . 51970 1 75 572 SER . 51970 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51970 1 . SER 2 2 51970 1 . THR 3 3 51970 1 . THR 4 4 51970 1 . ARG 5 5 51970 1 . PRO 6 6 51970 1 . LYS 7 7 51970 1 . SER 8 8 51970 1 . PRO 9 9 51970 1 . TRP 10 10 51970 1 . MET 11 11 51970 1 . PRO 12 12 51970 1 . PHE 13 13 51970 1 . PRO 14 14 51970 1 . THR 15 15 51970 1 . LEU 16 16 51970 1 . PHE 17 17 51970 1 . ALA 18 18 51970 1 . ALA 19 19 51970 1 . ILE 20 20 51970 1 . SER 21 21 51970 1 . HIS 22 22 51970 1 . LYS 23 23 51970 1 . VAL 24 24 51970 1 . ALA 25 25 51970 1 . GLU 26 26 51970 1 . ASN 27 27 51970 1 . ASP 28 28 51970 1 . MET 29 29 51970 1 . LEU 30 30 51970 1 . LEU 31 31 51970 1 . ILE 32 32 51970 1 . ASN 33 33 51970 1 . ALA 34 34 51970 1 . ASP 35 35 51970 1 . TYR 36 36 51970 1 . GLN 37 37 51970 1 . GLN 38 38 51970 1 . LEU 39 39 51970 1 . ARG 40 40 51970 1 . ASP 41 41 51970 1 . LYS 42 42 51970 1 . LYS 43 43 51970 1 . MET 44 44 51970 1 . THR 45 45 51970 1 . ARG 46 46 51970 1 . ALA 47 47 51970 1 . GLU 48 48 51970 1 . PHE 49 49 51970 1 . VAL 50 50 51970 1 . ARG 51 51 51970 1 . LYS 52 52 51970 1 . LEU 53 53 51970 1 . ARG 54 54 51970 1 . VAL 55 55 51970 1 . ILE 56 56 51970 1 . VAL 57 57 51970 1 . GLY 58 58 51970 1 . ASP 59 59 51970 1 . ASP 60 60 51970 1 . LEU 61 61 51970 1 . LEU 62 62 51970 1 . ARG 63 63 51970 1 . SER 64 64 51970 1 . THR 65 65 51970 1 . ILE 66 66 51970 1 . THR 67 67 51970 1 . THR 68 68 51970 1 . LEU 69 69 51970 1 . GLN 70 70 51970 1 . ASN 71 71 51970 1 . GLN 72 72 51970 1 . PRO 73 73 51970 1 . LYS 74 74 51970 1 . SER 75 75 51970 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51970 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; SGSGPKNGEQYGAPFIEEEW AEDDDDDVDEPANQLVVSAS VDNSLWGKGLNQSELDDNDI EELMSQVRDQSGPTLQQNGV SGLNSHVDTYNLENLEEDMY LEINDLMEPEPEPT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq S161-T274 _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 114 _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_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 UNP F4IED2 . NAC013 . . . . . . . . . . . . . . 51970 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 1 161 SER . 51970 2 2 162 GLY . 51970 2 3 163 SER . 51970 2 4 164 GLY . 51970 2 5 165 PRO . 51970 2 6 166 LYS . 51970 2 7 167 ASN . 51970 2 8 168 GLY . 51970 2 9 169 GLU . 51970 2 10 170 GLN . 51970 2 11 171 TYR . 51970 2 12 172 GLY . 51970 2 13 173 ALA . 51970 2 14 174 PRO . 51970 2 15 175 PHE . 51970 2 16 176 ILE . 51970 2 17 177 GLU . 51970 2 18 178 GLU . 51970 2 19 179 GLU . 51970 2 20 180 TRP . 51970 2 21 181 ALA . 51970 2 22 182 GLU . 51970 2 23 183 ASP . 51970 2 24 184 ASP . 51970 2 25 185 ASP . 51970 2 26 186 ASP . 51970 2 27 187 ASP . 51970 2 28 188 VAL . 51970 2 29 189 ASP . 51970 2 30 190 GLU . 51970 2 31 191 PRO . 51970 2 32 192 ALA . 51970 2 33 193 ASN . 51970 2 34 194 GLN . 51970 2 35 195 LEU . 51970 2 36 196 VAL . 51970 2 37 197 VAL . 51970 2 38 198 SER . 51970 2 39 199 ALA . 51970 2 40 200 SER . 51970 2 41 201 VAL . 51970 2 42 202 ASP . 51970 2 43 203 ASN . 51970 2 44 204 SER . 51970 2 45 205 LEU . 51970 2 46 206 TRP . 51970 2 47 207 GLY . 51970 2 48 208 LYS . 51970 2 49 209 GLY . 51970 2 50 210 LEU . 51970 2 51 211 ASN . 51970 2 52 212 GLN . 51970 2 53 213 SER . 51970 2 54 214 GLU . 51970 2 55 215 LEU . 51970 2 56 216 ASP . 51970 2 57 217 ASP . 51970 2 58 218 ASN . 51970 2 59 219 ASP . 51970 2 60 220 ILE . 51970 2 61 221 GLU . 51970 2 62 222 GLU . 51970 2 63 223 LEU . 51970 2 64 224 MET . 51970 2 65 225 SER . 51970 2 66 226 GLN . 51970 2 67 227 VAL . 51970 2 68 228 ARG . 51970 2 69 229 ASP . 51970 2 70 230 GLN . 51970 2 71 231 SER . 51970 2 72 232 GLY . 51970 2 73 233 PRO . 51970 2 74 234 THR . 51970 2 75 235 LEU . 51970 2 76 236 GLN . 51970 2 77 237 GLN . 51970 2 78 238 ASN . 51970 2 79 239 GLY . 51970 2 80 240 VAL . 51970 2 81 241 SER . 51970 2 82 242 GLY . 51970 2 83 243 LEU . 51970 2 84 244 ASN . 51970 2 85 245 SER . 51970 2 86 246 HIS . 51970 2 87 247 VAL . 51970 2 88 248 ASP . 51970 2 89 249 THR . 51970 2 90 250 TYR . 51970 2 91 251 ASN . 51970 2 92 252 LEU . 51970 2 93 253 GLU . 51970 2 94 254 ASN . 51970 2 95 255 LEU . 51970 2 96 256 GLU . 51970 2 97 257 GLU . 51970 2 98 258 ASP . 51970 2 99 259 MET . 51970 2 100 260 TYR . 51970 2 101 261 LEU . 51970 2 102 262 GLU . 51970 2 103 263 ILE . 51970 2 104 264 ASN . 51970 2 105 265 ASP . 51970 2 106 266 LEU . 51970 2 107 267 MET . 51970 2 108 268 GLU . 51970 2 109 269 PRO . 51970 2 110 270 GLU . 51970 2 111 271 PRO . 51970 2 112 272 GLU . 51970 2 113 273 PRO . 51970 2 114 274 THR . 51970 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 . SER 1 1 51970 2 . GLY 2 2 51970 2 . SER 3 3 51970 2 . GLY 4 4 51970 2 . PRO 5 5 51970 2 . LYS 6 6 51970 2 . ASN 7 7 51970 2 . GLY 8 8 51970 2 . GLU 9 9 51970 2 . GLN 10 10 51970 2 . TYR 11 11 51970 2 . GLY 12 12 51970 2 . ALA 13 13 51970 2 . PRO 14 14 51970 2 . PHE 15 15 51970 2 . ILE 16 16 51970 2 . GLU 17 17 51970 2 . GLU 18 18 51970 2 . GLU 19 19 51970 2 . TRP 20 20 51970 2 . ALA 21 21 51970 2 . GLU 22 22 51970 2 . ASP 23 23 51970 2 . ASP 24 24 51970 2 . ASP 25 25 51970 2 . ASP 26 26 51970 2 . ASP 27 27 51970 2 . VAL 28 28 51970 2 . ASP 29 29 51970 2 . GLU 30 30 51970 2 . PRO 31 31 51970 2 . ALA 32 32 51970 2 . ASN 33 33 51970 2 . GLN 34 34 51970 2 . LEU 35 35 51970 2 . VAL 36 36 51970 2 . VAL 37 37 51970 2 . SER 38 38 51970 2 . ALA 39 39 51970 2 . SER 40 40 51970 2 . VAL 41 41 51970 2 . ASP 42 42 51970 2 . ASN 43 43 51970 2 . SER 44 44 51970 2 . LEU 45 45 51970 2 . TRP 46 46 51970 2 . GLY 47 47 51970 2 . LYS 48 48 51970 2 . GLY 49 49 51970 2 . LEU 50 50 51970 2 . ASN 51 51 51970 2 . GLN 52 52 51970 2 . SER 53 53 51970 2 . GLU 54 54 51970 2 . LEU 55 55 51970 2 . ASP 56 56 51970 2 . ASP 57 57 51970 2 . ASN 58 58 51970 2 . ASP 59 59 51970 2 . ILE 60 60 51970 2 . GLU 61 61 51970 2 . GLU 62 62 51970 2 . LEU 63 63 51970 2 . MET 64 64 51970 2 . SER 65 65 51970 2 . GLN 66 66 51970 2 . VAL 67 67 51970 2 . ARG 68 68 51970 2 . ASP 69 69 51970 2 . GLN 70 70 51970 2 . SER 71 71 51970 2 . GLY 72 72 51970 2 . PRO 73 73 51970 2 . THR 74 74 51970 2 . LEU 75 75 51970 2 . GLN 76 76 51970 2 . GLN 77 77 51970 2 . ASN 78 78 51970 2 . GLY 79 79 51970 2 . VAL 80 80 51970 2 . SER 81 81 51970 2 . GLY 82 82 51970 2 . LEU 83 83 51970 2 . ASN 84 84 51970 2 . SER 85 85 51970 2 . HIS 86 86 51970 2 . VAL 87 87 51970 2 . ASP 88 88 51970 2 . THR 89 89 51970 2 . TYR 90 90 51970 2 . ASN 91 91 51970 2 . LEU 92 92 51970 2 . GLU 93 93 51970 2 . ASN 94 94 51970 2 . LEU 95 95 51970 2 . GLU 96 96 51970 2 . GLU 97 97 51970 2 . ASP 98 98 51970 2 . MET 99 99 51970 2 . TYR 100 100 51970 2 . LEU 101 101 51970 2 . GLU 102 102 51970 2 . ILE 103 103 51970 2 . ASN 104 104 51970 2 . ASP 105 105 51970 2 . LEU 106 106 51970 2 . MET 107 107 51970 2 . GLU 108 108 51970 2 . PRO 109 109 51970 2 . GLU 110 110 51970 2 . PRO 111 111 51970 2 . GLU 112 112 51970 2 . PRO 113 113 51970 2 . THR 114 114 51970 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 51970 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . AT1G32870.1 . 51970 1 2 2 $entity_2 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . AT1G32230.1 . 51970 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 51970 _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 . . pET-24b . . 'His(6)-SUMO tag' 51970 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-11a . . . 51970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51970 _Sample.ID 1 _Sample.Name RCD1-RST(499-572):ANAC013(161-274) _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 RCD1-RST(499-572) '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51970 1 2 'ANAC013 161-274' 'natural abundance' . . 2 $entity_2 . . 200 . . uM . . . . 51970 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 51970 _Sample_condition_list.ID 1 _Sample_condition_list.Name RCD1-RST(499-572):ANAC013(161-274) _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' 0.17 . M 51970 1 pH 7.4 . pH 51970 1 pressure 1 . atm 51970 1 temperature 293 . K 51970 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51970 _Software.ID 1 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51970 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51970 _Software.ID 2 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51970 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51970 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51970 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD 750 NMR spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 51970 _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 . . . . . . . . . . . . . . . . . 51970 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51970 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51970 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51970 1 5 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51970 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 51970 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RCD1-RST(499-572):ANAC013(161-274) _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm -0.01938 internal indirect 0.158 . . . . . 51970 1 H 1 DSS 'methyl protons' . . . . ppm -0.12267 internal direct 1 . . . . . 51970 1 N 15 DSS 'methyl protons' . . . . ppm -0.012267 internal indirect 0.1 . . . . . 51970 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 51970 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name atRCD1-RST_atANAC013-161-274_cs _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 HNCO' . . . 51970 1 3 '3D HN(CA)CO' . . . 51970 1 4 '3D HNCACB' . . . 51970 1 5 '3D HN(CO)CACB' . . . 51970 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 . . 51970 1 2 $software_2 . . 51970 1 3 $software_3 . . 51970 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 THR C C 13 174.606 . . . . . . . . 500 T CO . 51970 1 2 . 1 . 1 4 4 THR H H 1 8.263 . . . . . . . . 501 T HN . 51970 1 3 . 1 . 1 4 4 THR C C 13 173.695 . . . . . . . . 501 T CO . 51970 1 4 . 1 . 1 4 4 THR CA C 13 61.887 . . . . . . . . 501 T CA . 51970 1 5 . 1 . 1 4 4 THR CB C 13 69.667 . . . . . . . . 501 T CB . 51970 1 6 . 1 . 1 4 4 THR N N 15 118.845 . . . . . . . . 501 T N . 51970 1 7 . 1 . 1 5 5 ARG H H 1 8.020 . . . . . . . . 502 R HN . 51970 1 8 . 1 . 1 5 5 ARG C C 13 173.328 . . . . . . . . 502 R CO . 51970 1 9 . 1 . 1 5 5 ARG CA C 13 53.461 . . . . . . . . 502 R CA . 51970 1 10 . 1 . 1 5 5 ARG CB C 13 30.56 . . . . . . . . 502 R CB . 51970 1 11 . 1 . 1 5 5 ARG N N 15 124.978 . . . . . . . . 502 R N . 51970 1 12 . 1 . 1 15 15 THR C C 13 176.087 . . . . . . . . 512 T CO . 51970 1 13 . 1 . 1 15 15 THR CA C 13 65.383 . . . . . . . . 512 T CA . 51970 1 14 . 1 . 1 15 15 THR CB C 13 68.613 . . . . . . . . 512 T CB . 51970 1 15 . 1 . 1 16 16 LEU H H 1 7.683 . . . . . . . . 513 L HN . 51970 1 16 . 1 . 1 16 16 LEU C C 13 178.530 . . . . . . . . 513 L CO . 51970 1 17 . 1 . 1 16 16 LEU CA C 13 58.643 . . . . . . . . 513 L CA . 51970 1 18 . 1 . 1 16 16 LEU CB C 13 41.648 . . . . . . . . 513 L CB . 51970 1 19 . 1 . 1 16 16 LEU N N 15 125.540 . . . . . . . . 513 L N . 51970 1 20 . 1 . 1 17 17 PHE H H 1 8.435 . . . . . . . . 514 F HN . 51970 1 21 . 1 . 1 17 17 PHE C C 13 178.235 . . . . . . . . 514 F CO . 51970 1 22 . 1 . 1 17 17 PHE CA C 13 57.116 . . . . . . . . 514 F CA . 51970 1 23 . 1 . 1 17 17 PHE CB C 13 36.569 . . . . . . . . 514 F CB . 51970 1 24 . 1 . 1 17 17 PHE N N 15 117.422 . . . . . . . . 514 F N . 51970 1 25 . 1 . 1 18 18 ALA H H 1 7.397 . . . . . . . . 515 A HN . 51970 1 26 . 1 . 1 18 18 ALA C C 13 179.992 . . . . . . . . 515 A CO . 51970 1 27 . 1 . 1 18 18 ALA CA C 13 54.945 . . . . . . . . 515 A CA . 51970 1 28 . 1 . 1 18 18 ALA CB C 13 17.847 . . . . . . . . 515 A CB . 51970 1 29 . 1 . 1 18 18 ALA N N 15 120.400 . . . . . . . . 515 A N . 51970 1 30 . 1 . 1 19 19 ALA H H 1 7.623 . . . . . . . . 516 A HN . 51970 1 31 . 1 . 1 19 19 ALA C C 13 180.239 . . . . . . . . 516 A CO . 51970 1 32 . 1 . 1 19 19 ALA CA C 13 54.516 . . . . . . . . 516 A CA . 51970 1 33 . 1 . 1 19 19 ALA CB C 13 19.277 . . . . . . . . 516 A CB . 51970 1 34 . 1 . 1 19 19 ALA N N 15 120.162 . . . . . . . . 516 A N . 51970 1 35 . 1 . 1 20 20 ILE H H 1 7.998 . . . . . . . . 517 I HN . 51970 1 36 . 1 . 1 20 20 ILE C C 13 177.948 . . . . . . . . 517 I CO . 51970 1 37 . 1 . 1 20 20 ILE CA C 13 62.730 . . . . . . . . 517 I CA . 51970 1 38 . 1 . 1 20 20 ILE CB C 13 38.688 . . . . . . . . 517 I CB . 51970 1 39 . 1 . 1 20 20 ILE N N 15 131.62 . . . . . . . . 517 I N . 51970 1 40 . 1 . 1 21 21 SER H H 1 7.572 . . . . . . . . 518 S HN . 51970 1 41 . 1 . 1 21 21 SER C C 13 177.950 . . . . . . . . 518 S CO . 51970 1 42 . 1 . 1 21 21 SER CA C 13 62.282 . . . . . . . . 518 S CA . 51970 1 43 . 1 . 1 21 21 SER CB C 13 63.270 . . . . . . . . 518 S CB . 51970 1 44 . 1 . 1 21 21 SER N N 15 118.284 . . . . . . . . 518 S N . 51970 1 45 . 1 . 1 22 22 HIS C C 13 175.856 . . . . . . . . 519 H CO . 51970 1 46 . 1 . 1 22 22 HIS CA C 13 57.362 . . . . . . . . 519 H CA . 51970 1 47 . 1 . 1 22 22 HIS CB C 13 29.917 . . . . . . . . 519 H CB . 51970 1 48 . 1 . 1 23 23 LYS H H 1 7.709 . . . . . . . . 520 K HN . 51970 1 49 . 1 . 1 23 23 LYS C C 13 175.366 . . . . . . . . 520 K CO . 51970 1 50 . 1 . 1 23 23 LYS CA C 13 55.408 . . . . . . . . 520 K CA . 51970 1 51 . 1 . 1 23 23 LYS CB C 13 34.933 . . . . . . . . 520 K CB . 51970 1 52 . 1 . 1 23 23 LYS N N 15 119.172 . . . . . . . . 520 K N . 51970 1 53 . 1 . 1 24 24 VAL H H 1 7.108 . . . . . . . . 521 V HN . 51970 1 54 . 1 . 1 24 24 VAL C C 13 174.713 . . . . . . . . 521 V CO . 51970 1 55 . 1 . 1 24 24 VAL CA C 13 60.614 . . . . . . . . 521 V CA . 51970 1 56 . 1 . 1 24 24 VAL CB C 13 34.149 . . . . . . . . 521 V CB . 51970 1 57 . 1 . 1 24 24 VAL N N 15 119.275 . . . . . . . . 521 V N . 51970 1 58 . 1 . 1 25 25 ALA H H 1 8.797 . . . . . . . . 522 A HN . 51970 1 59 . 1 . 1 25 25 ALA C C 13 178.975 . . . . . . . . 522 A CO . 51970 1 60 . 1 . 1 25 25 ALA CA C 13 52.469 . . . . . . . . 522 A CA . 51970 1 61 . 1 . 1 25 25 ALA CB C 13 18.970 . . . . . . . . 522 A CB . 51970 1 62 . 1 . 1 25 25 ALA N N 15 128.818 . . . . . . . . 522 A N . 51970 1 63 . 1 . 1 26 26 GLU H H 1 8.865 . . . . . . . . 523 E HN . 51970 1 64 . 1 . 1 26 26 GLU C C 13 178.996 . . . . . . . . 523 E CO . 51970 1 65 . 1 . 1 26 26 GLU CA C 13 60.402 . . . . . . . . 523 E CA . 51970 1 66 . 1 . 1 26 26 GLU CB C 13 29.622 . . . . . . . . 523 E CB . 51970 1 67 . 1 . 1 26 26 GLU N N 15 124.078 . . . . . . . . 523 E N . 51970 1 68 . 1 . 1 27 27 ASN H H 1 8.842 . . . . . . . . 524 N HN . 51970 1 69 . 1 . 1 27 27 ASN C C 13 177.505 . . . . . . . . 524 N CO . 51970 1 70 . 1 . 1 27 27 ASN CA C 13 56.182 . . . . . . . . 524 N CA . 51970 1 71 . 1 . 1 27 27 ASN CB C 13 37.612 . . . . . . . . 524 N CB . 51970 1 72 . 1 . 1 27 27 ASN N N 15 115.640 . . . . . . . . 524 N N . 51970 1 73 . 1 . 1 28 28 ASP H H 1 6.821 . . . . . . . . 525 D HN . 51970 1 74 . 1 . 1 28 28 ASP C C 13 177.989 . . . . . . . . 525 D CO . 51970 1 75 . 1 . 1 28 28 ASP CA C 13 57.008 . . . . . . . . 525 D CA . 51970 1 76 . 1 . 1 28 28 ASP CB C 13 40.484 . . . . . . . . 525 D CB . 51970 1 77 . 1 . 1 28 28 ASP N N 15 120.534 . . . . . . . . 525 D N . 51970 1 78 . 1 . 1 29 29 MET H H 1 7.773 . . . . . . . . 526 M HN . 51970 1 79 . 1 . 1 29 29 MET C C 13 173.113 . . . . . . . . 526 M CO . 51970 1 80 . 1 . 1 29 29 MET CA C 13 55.953 . . . . . . . . 526 M CA . 51970 1 81 . 1 . 1 29 29 MET CB C 13 29.828 . . . . . . . . 526 M CB . 51970 1 82 . 1 . 1 29 29 MET N N 15 119.895 . . . . . . . . 526 M N . 51970 1 83 . 1 . 1 30 30 LEU H H 1 7.672 . . . . . . . . 527 L HN . 51970 1 84 . 1 . 1 30 30 LEU C C 13 180.458 . . . . . . . . 527 L CO . 51970 1 85 . 1 . 1 30 30 LEU CA C 13 58.328 . . . . . . . . 527 L CA . 51970 1 86 . 1 . 1 30 30 LEU CB C 13 41.537 . . . . . . . . 527 L CB . 51970 1 87 . 1 . 1 30 30 LEU N N 15 119.947 . . . . . . . . 527 L N . 51970 1 88 . 1 . 1 31 31 LEU H H 1 7.133 . . . . . . . . 528 L HN . 51970 1 89 . 1 . 1 31 31 LEU C C 13 179.106 . . . . . . . . 528 L CO . 51970 1 90 . 1 . 1 31 31 LEU CA C 13 58.037 . . . . . . . . 528 L CA . 51970 1 91 . 1 . 1 31 31 LEU CB C 13 41.523 . . . . . . . . 528 L CB . 51970 1 92 . 1 . 1 31 31 LEU N N 15 121.666 . . . . . . . . 528 L N . 51970 1 93 . 1 . 1 32 32 ILE H H 1 7.902 . . . . . . . . 529 I HN . 51970 1 94 . 1 . 1 32 32 ILE C C 13 178.082 . . . . . . . . 529 I CO . 51970 1 95 . 1 . 1 32 32 ILE CA C 13 65.209 . . . . . . . . 529 I CA . 51970 1 96 . 1 . 1 32 32 ILE CB C 13 38.177 . . . . . . . . 529 I CB . 51970 1 97 . 1 . 1 32 32 ILE N N 15 121.111 . . . . . . . . 529 I N . 51970 1 98 . 1 . 1 33 33 ASN H H 1 8.216 . . . . . . . . 530 N HN . 51970 1 99 . 1 . 1 33 33 ASN C C 13 178.139 . . . . . . . . 530 N CO . 51970 1 100 . 1 . 1 33 33 ASN CA C 13 56.367 . . . . . . . . 530 N CA . 51970 1 101 . 1 . 1 33 33 ASN CB C 13 38.477 . . . . . . . . 530 N CB . 51970 1 102 . 1 . 1 33 33 ASN N N 15 117.428 . . . . . . . . 530 N N . 51970 1 103 . 1 . 1 34 34 ALA H H 1 7.779 . . . . . . . . 531 A HN . 51970 1 104 . 1 . 1 34 34 ALA C C 13 181.000 . . . . . . . . 531 A CO . 51970 1 105 . 1 . 1 34 34 ALA CA C 13 55.218 . . . . . . . . 531 A CA . 51970 1 106 . 1 . 1 34 34 ALA CB C 13 17.878 . . . . . . . . 531 A CB . 51970 1 107 . 1 . 1 34 34 ALA N N 15 124.287 . . . . . . . . 531 A N . 51970 1 108 . 1 . 1 35 35 ASP H H 1 8.183 . . . . . . . . 532 D HN . 51970 1 109 . 1 . 1 35 35 ASP C C 13 177.746 . . . . . . . . 532 D CO . 51970 1 110 . 1 . 1 35 35 ASP CA C 13 57.373 . . . . . . . . 532 D CA . 51970 1 111 . 1 . 1 35 35 ASP CB C 13 39.137 . . . . . . . . 532 D CB . 51970 1 112 . 1 . 1 35 35 ASP N N 15 122.090 . . . . . . . . 532 D N . 51970 1 113 . 1 . 1 36 36 TYR H H 1 8.997 . . . . . . . . 533 Y HN . 51970 1 114 . 1 . 1 36 36 TYR C C 13 177.396 . . . . . . . . 533 Y CO . 51970 1 115 . 1 . 1 36 36 TYR CA C 13 60.384 . . . . . . . . 533 Y CA . 51970 1 116 . 1 . 1 36 36 TYR CB C 13 37.654 . . . . . . . . 533 Y CB . 51970 1 117 . 1 . 1 36 36 TYR N N 15 122.920 . . . . . . . . 533 Y N . 51970 1 118 . 1 . 1 37 37 GLN H H 1 7.686 . . . . . . . . 534 Q HN . 51970 1 119 . 1 . 1 37 37 GLN C C 13 178.099 . . . . . . . . 534 Q CO . 51970 1 120 . 1 . 1 37 37 GLN CA C 13 58.356 . . . . . . . . 534 Q CA . 51970 1 121 . 1 . 1 37 37 GLN CB C 13 27.678 . . . . . . . . 534 Q CB . 51970 1 122 . 1 . 1 37 37 GLN N N 15 118.224 . . . . . . . . 534 Q N . 51970 1 123 . 1 . 1 38 38 GLN H H 1 7.181 . . . . . . . . 535 Q HN . 51970 1 124 . 1 . 1 38 38 GLN C C 13 178.590 . . . . . . . . 535 Q CO . 51970 1 125 . 1 . 1 38 38 GLN CA C 13 59.554 . . . . . . . . 535 Q CA . 51970 1 126 . 1 . 1 38 38 GLN CB C 13 28.778 . . . . . . . . 535 Q CB . 51970 1 127 . 1 . 1 38 38 GLN N N 15 117.360 . . . . . . . . 535 Q N . 51970 1 128 . 1 . 1 39 39 LEU H H 1 7.933 . . . . . . . . 536 L HN . 51970 1 129 . 1 . 1 39 39 LEU C C 13 180.727 . . . . . . . . 536 L CO . 51970 1 130 . 1 . 1 39 39 LEU CA C 13 58.209 . . . . . . . . 536 L CA . 51970 1 131 . 1 . 1 39 39 LEU CB C 13 40.776 . . . . . . . . 536 L CB . 51970 1 132 . 1 . 1 39 39 LEU N N 15 123.221 . . . . . . . . 536 L N . 51970 1 133 . 1 . 1 40 40 ARG H H 1 8.136 . . . . . . . . 537 R HN . 51970 1 134 . 1 . 1 40 40 ARG C C 13 177.818 . . . . . . . . 537 R CO . 51970 1 135 . 1 . 1 40 40 ARG CA C 13 59.103 . . . . . . . . 537 R CA . 51970 1 136 . 1 . 1 40 40 ARG CB C 13 28.913 . . . . . . . . 537 R CB . 51970 1 137 . 1 . 1 40 40 ARG N N 15 121.840 . . . . . . . . 537 R N . 51970 1 138 . 1 . 1 41 41 ASP H H 1 7.615 . . . . . . . . 538 D HN . 51970 1 139 . 1 . 1 41 41 ASP C C 13 174.918 . . . . . . . . 538 D CO . 51970 1 140 . 1 . 1 41 41 ASP CA C 13 54.375 . . . . . . . . 538 D CA . 51970 1 141 . 1 . 1 41 41 ASP CB C 13 40.912 . . . . . . . . 538 D CB . 51970 1 142 . 1 . 1 41 41 ASP N N 15 117.981 . . . . . . . . 538 D N . 51970 1 143 . 1 . 1 42 42 LYS H H 1 7.940 . . . . . . . . 539 K HN . 51970 1 144 . 1 . 1 42 42 LYS C C 13 176.506 . . . . . . . . 539 K CO . 51970 1 145 . 1 . 1 42 42 LYS CA C 13 57.138 . . . . . . . . 539 K CA . 51970 1 146 . 1 . 1 42 42 LYS CB C 13 28.119 . . . . . . . . 539 K CB . 51970 1 147 . 1 . 1 42 42 LYS N N 15 114.655 . . . . . . . . 539 K N . 51970 1 148 . 1 . 1 43 43 LYS H H 1 8.406 . . . . . . . . 540 K HN . 51970 1 149 . 1 . 1 43 43 LYS C C 13 175.634 . . . . . . . . 540 K CO . 51970 1 150 . 1 . 1 43 43 LYS CA C 13 55.712 . . . . . . . . 540 K CA . 51970 1 151 . 1 . 1 43 43 LYS CB C 13 33.394 . . . . . . . . 540 K CB . 51970 1 152 . 1 . 1 43 43 LYS N N 15 117.080 . . . . . . . . 540 K N . 51970 1 153 . 1 . 1 44 44 MET H H 1 7.159 . . . . . . . . 541 M HN . 51970 1 154 . 1 . 1 44 44 MET C C 13 174.367 . . . . . . . . 541 M CO . 51970 1 155 . 1 . 1 44 44 MET CA C 13 54.168 . . . . . . . . 541 M CA . 51970 1 156 . 1 . 1 44 44 MET CB C 13 37.227 . . . . . . . . 541 M CB . 51970 1 157 . 1 . 1 44 44 MET N N 15 118.242 . . . . . . . . 541 M N . 51970 1 158 . 1 . 1 45 45 THR H H 1 8.567 . . . . . . . . 542 T HN . 51970 1 159 . 1 . 1 45 45 THR C C 13 175.421 . . . . . . . . 542 T CO . 51970 1 160 . 1 . 1 45 45 THR CA C 13 60.824 . . . . . . . . 542 T CA . 51970 1 161 . 1 . 1 45 45 THR CB C 13 71.190 . . . . . . . . 542 T CB . 51970 1 162 . 1 . 1 45 45 THR N N 15 114.268 . . . . . . . . 542 T N . 51970 1 163 . 1 . 1 46 46 ARG H H 1 8.989 . . . . . . . . 543 R HN . 51970 1 164 . 1 . 1 46 46 ARG C C 13 177.935 . . . . . . . . 543 R CO . 51970 1 165 . 1 . 1 46 46 ARG CA C 13 60.640 . . . . . . . . 543 R CA . 51970 1 166 . 1 . 1 46 46 ARG CB C 13 29.690 . . . . . . . . 543 R CB . 51970 1 167 . 1 . 1 46 46 ARG N N 15 123.498 . . . . . . . . 543 R N . 51970 1 168 . 1 . 1 47 47 ALA H H 1 8.389 . . . . . . . . 544 A HN . 51970 1 169 . 1 . 1 47 47 ALA C C 13 181.014 . . . . . . . . 544 A CO . 51970 1 170 . 1 . 1 47 47 ALA CA C 13 55.282 . . . . . . . . 544 A CA . 51970 1 171 . 1 . 1 47 47 ALA CB C 13 18.247 . . . . . . . . 544 A CB . 51970 1 172 . 1 . 1 47 47 ALA N N 15 119.611 . . . . . . . . 544 A N . 51970 1 173 . 1 . 1 48 48 GLU H H 1 7.662 . . . . . . . . 545 E HN . 51970 1 174 . 1 . 1 48 48 GLU C C 13 178.042 . . . . . . . . 545 E CO . 51970 1 175 . 1 . 1 48 48 GLU CA C 13 58.662 . . . . . . . . 545 E CA . 51970 1 176 . 1 . 1 48 48 GLU CB C 13 29.658 . . . . . . . . 545 E CB . 51970 1 177 . 1 . 1 48 48 GLU N N 15 119.906 . . . . . . . . 545 E N . 51970 1 178 . 1 . 1 49 49 PHE H H 1 8.219 . . . . . . . . 546 F HN . 51970 1 179 . 1 . 1 49 49 PHE C C 13 176.553 . . . . . . . . 546 F CO . 51970 1 180 . 1 . 1 49 49 PHE CA C 13 62.627 . . . . . . . . 546 F CA . 51970 1 181 . 1 . 1 49 49 PHE CB C 13 39.906 . . . . . . . . 546 F CB . 51970 1 182 . 1 . 1 49 49 PHE N N 15 121.392 . . . . . . . . 546 F N . 51970 1 183 . 1 . 1 50 50 VAL H H 1 8.829 . . . . . . . . 547 V HN . 51970 1 184 . 1 . 1 50 50 VAL C C 13 177.134 . . . . . . . . 547 V CO . 51970 1 185 . 1 . 1 50 50 VAL CA C 13 67.350 . . . . . . . . 547 V CA . 51970 1 186 . 1 . 1 50 50 VAL CB C 13 31.469 . . . . . . . . 547 V CB . 51970 1 187 . 1 . 1 50 50 VAL N N 15 118.863 . . . . . . . . 547 V N . 51970 1 188 . 1 . 1 51 51 ARG H H 1 7.549 . . . . . . . . 548 R HN . 51970 1 189 . 1 . 1 51 51 ARG C C 13 178.700 . . . . . . . . 548 R CO . 51970 1 190 . 1 . 1 51 51 ARG CA C 13 60.157 . . . . . . . . 548 R CA . 51970 1 191 . 1 . 1 51 51 ARG CB C 13 29.889 . . . . . . . . 548 R CB . 51970 1 192 . 1 . 1 51 51 ARG N N 15 119.327 . . . . . . . . 548 R N . 51970 1 193 . 1 . 1 52 52 LYS H H 1 7.566 . . . . . . . . 549 K HN . 51970 1 194 . 1 . 1 52 52 LYS C C 13 178.648 . . . . . . . . 549 K CO . 51970 1 195 . 1 . 1 52 52 LYS CA C 13 59.690 . . . . . . . . 549 K CA . 51970 1 196 . 1 . 1 52 52 LYS CB C 13 32.148 . . . . . . . . 549 K CB . 51970 1 197 . 1 . 1 52 52 LYS N N 15 119.007 . . . . . . . . 549 K N . 51970 1 198 . 1 . 1 53 53 LEU H H 1 8.174 . . . . . . . . 550 L HN . 51970 1 199 . 1 . 1 53 53 LEU C C 13 178.748 . . . . . . . . 550 L CO . 51970 1 200 . 1 . 1 53 53 LEU CA C 13 57.761 . . . . . . . . 550 L CA . 51970 1 201 . 1 . 1 53 53 LEU CB C 13 42.020 . . . . . . . . 550 L CB . 51970 1 202 . 1 . 1 53 53 LEU N N 15 121.436 . . . . . . . . 550 L N . 51970 1 203 . 1 . 1 54 54 ARG H H 1 8.122 . . . . . . . . 551 R HN . 51970 1 204 . 1 . 1 54 54 ARG C C 13 179.792 . . . . . . . . 551 R CO . 51970 1 205 . 1 . 1 54 54 ARG CA C 13 60.192 . . . . . . . . 551 R CA . 51970 1 206 . 1 . 1 54 54 ARG CB C 13 31.218 . . . . . . . . 551 R CB . 51970 1 207 . 1 . 1 54 54 ARG N N 15 117.784 . . . . . . . . 551 R N . 51970 1 208 . 1 . 1 55 55 VAL H H 1 7.435 . . . . . . . . 552 V HN . 51970 1 209 . 1 . 1 55 55 VAL C C 13 177.915 . . . . . . . . 552 V CO . 51970 1 210 . 1 . 1 55 55 VAL CA C 13 66.135 . . . . . . . . 552 V CA . 51970 1 211 . 1 . 1 55 55 VAL CB C 13 31.670 . . . . . . . . 552 V CB . 51970 1 212 . 1 . 1 55 55 VAL N N 15 119.553 . . . . . . . . 552 V N . 51970 1 213 . 1 . 1 56 56 ILE H H 1 7.630 . . . . . . . . 553 I HN . 51970 1 214 . 1 . 1 56 56 ILE C C 13 177.484 . . . . . . . . 553 I CO . 51970 1 215 . 1 . 1 56 56 ILE CA C 13 64.721 . . . . . . . . 553 I CA . 51970 1 216 . 1 . 1 56 56 ILE CB C 13 39.080 . . . . . . . . 553 I CB . 51970 1 217 . 1 . 1 56 56 ILE N N 15 119.108 . . . . . . . . 553 I N . 51970 1 218 . 1 . 1 57 57 VAL H H 1 8.218 . . . . . . . . 554 V HN . 51970 1 219 . 1 . 1 57 57 VAL C C 13 176.791 . . . . . . . . 554 V CO . 51970 1 220 . 1 . 1 57 57 VAL CA C 13 64.051 . . . . . . . . 554 V CA . 51970 1 221 . 1 . 1 57 57 VAL CB C 13 33.059 . . . . . . . . 554 V CB . 51970 1 222 . 1 . 1 57 57 VAL N N 15 116.363 . . . . . . . . 554 V N . 51970 1 223 . 1 . 1 58 58 GLY H H 1 7.279 . . . . . . . . 555 G HN . 51970 1 224 . 1 . 1 58 58 GLY C C 13 173.299 . . . . . . . . 555 G CO . 51970 1 225 . 1 . 1 58 58 GLY CA C 13 44.257 . . . . . . . . 555 G CA . 51970 1 226 . 1 . 1 58 58 GLY N N 15 109.507 . . . . . . . . 555 G N . 51970 1 227 . 1 . 1 59 59 ASP H H 1 8.147 . . . . . . . . 556 D HN . 51970 1 228 . 1 . 1 59 59 ASP C C 13 178.294 . . . . . . . . 556 D CO . 51970 1 229 . 1 . 1 59 59 ASP CA C 13 57.641 . . . . . . . . 556 D CA . 51970 1 230 . 1 . 1 59 59 ASP CB C 13 40.731 . . . . . . . . 556 D CB . 51970 1 231 . 1 . 1 59 59 ASP N N 15 122.198 . . . . . . . . 556 D N . 51970 1 232 . 1 . 1 60 60 ASP H H 1 8.276 . . . . . . . . 557 D HN . 51970 1 233 . 1 . 1 60 60 ASP C C 13 178.837 . . . . . . . . 557 D CO . 51970 1 234 . 1 . 1 60 60 ASP CA C 13 57.998 . . . . . . . . 557 D CA . 51970 1 235 . 1 . 1 60 60 ASP CB C 13 40.152 . . . . . . . . 557 D CB . 51970 1 236 . 1 . 1 60 60 ASP N N 15 118.917 . . . . . . . . 557 D N . 51970 1 237 . 1 . 1 61 61 LEU H H 1 8.456 . . . . . . . . 558 L HN . 51970 1 238 . 1 . 1 61 61 LEU C C 13 174.512 . . . . . . . . 558 L CO . 51970 1 239 . 1 . 1 61 61 LEU CA C 13 57.099 . . . . . . . . 558 L CA . 51970 1 240 . 1 . 1 61 61 LEU CB C 13 40.961 . . . . . . . . 558 L CB . 51970 1 241 . 1 . 1 61 61 LEU N N 15 121.842 . . . . . . . . 558 L N . 51970 1 242 . 1 . 1 62 62 LEU H H 1 7.376 . . . . . . . . 559 L HN . 51970 1 243 . 1 . 1 62 62 LEU C C 13 177.261 . . . . . . . . 559 L CO . 51970 1 244 . 1 . 1 62 62 LEU CA C 13 58.647 . . . . . . . . 559 L CA . 51970 1 245 . 1 . 1 62 62 LEU CB C 13 41.909 . . . . . . . . 559 L CB . 51970 1 246 . 1 . 1 62 62 LEU N N 15 121.608 . . . . . . . . 559 L N . 51970 1 247 . 1 . 1 63 63 ARG H H 1 8.715 . . . . . . . . 560 R HN . 51970 1 248 . 1 . 1 63 63 ARG C C 13 179.316 . . . . . . . . 560 R CO . 51970 1 249 . 1 . 1 63 63 ARG CA C 13 60.173 . . . . . . . . 560 R CA . 51970 1 250 . 1 . 1 63 63 ARG CB C 13 30.633 . . . . . . . . 560 R CB . 51970 1 251 . 1 . 1 63 63 ARG N N 15 118.932 . . . . . . . . 560 R N . 51970 1 252 . 1 . 1 64 64 SER H H 1 8.295 . . . . . . . . 561 S HN . 51970 1 253 . 1 . 1 64 64 SER C C 13 176.866 . . . . . . . . 561 S CO . 51970 1 254 . 1 . 1 64 64 SER CA C 13 61.275 . . . . . . . . 561 S CA . 51970 1 255 . 1 . 1 64 64 SER CB C 13 62.588 . . . . . . . . 561 S CB . 51970 1 256 . 1 . 1 64 64 SER N N 15 114.992 . . . . . . . . 561 S N . 51970 1 257 . 1 . 1 65 65 THR H H 1 7.795 . . . . . . . . 562 T HN . 51970 1 258 . 1 . 1 65 65 THR C C 13 174.887 . . . . . . . . 562 T CO . 51970 1 259 . 1 . 1 65 65 THR N N 15 120.257 . . . . . . . . 562 T N . 51970 1 260 . 1 . 1 66 66 ILE H H 1 7.496 . . . . . . . . 563 I HN . 51970 1 261 . 1 . 1 66 66 ILE C C 13 177.495 . . . . . . . . 563 I CO . 51970 1 262 . 1 . 1 66 66 ILE CA C 13 65.666 . . . . . . . . 563 I CA . 51970 1 263 . 1 . 1 66 66 ILE CB C 13 38.471 . . . . . . . . 563 I CB . 51970 1 264 . 1 . 1 66 66 ILE N N 15 118.958 . . . . . . . . 563 I N . 51970 1 265 . 1 . 1 67 67 THR H H 1 7.710 . . . . . . . . 564 T HN . 51970 1 266 . 1 . 1 67 67 THR C C 13 176.222 . . . . . . . . 564 T CO . 51970 1 267 . 1 . 1 67 67 THR CA C 13 65.024 . . . . . . . . 564 T CA . 51970 1 268 . 1 . 1 67 67 THR CB C 13 69.130 . . . . . . . . 564 T CB . 51970 1 269 . 1 . 1 67 67 THR N N 15 109.898 . . . . . . . . 564 T N . 51970 1 270 . 1 . 1 68 68 THR H H 1 7.671 . . . . . . . . 565 T HN . 51970 1 271 . 1 . 1 68 68 THR C C 13 175.536 . . . . . . . . 565 T CO . 51970 1 272 . 1 . 1 68 68 THR CA C 13 64.759 . . . . . . . . 565 T CA . 51970 1 273 . 1 . 1 68 68 THR CB C 13 69.680 . . . . . . . . 565 T CB . 51970 1 274 . 1 . 1 68 68 THR N N 15 116.153 . . . . . . . . 565 T N . 51970 1 275 . 1 . 1 69 69 LEU H H 1 7.526 . . . . . . . . 566 L HN . 51970 1 276 . 1 . 1 69 69 LEU C C 13 177.417 . . . . . . . . 566 L CO . 51970 1 277 . 1 . 1 69 69 LEU CA C 13 55.528 . . . . . . . . 566 L CA . 51970 1 278 . 1 . 1 69 69 LEU CB C 13 41.315 . . . . . . . . 566 L CB . 51970 1 279 . 1 . 1 69 69 LEU N N 15 122.583 . . . . . . . . 566 L N . 51970 1 280 . 1 . 1 70 70 GLN H H 1 7.597 . . . . . . . . 567 Q HN . 51970 1 281 . 1 . 1 70 70 GLN C C 13 175.741 . . . . . . . . 567 Q CO . 51970 1 282 . 1 . 1 70 70 GLN CA C 13 56.181 . . . . . . . . 567 Q CA . 51970 1 283 . 1 . 1 70 70 GLN CB C 13 28.969 . . . . . . . . 567 Q CB . 51970 1 284 . 1 . 1 70 70 GLN N N 15 118.850 . . . . . . . . 567 Q N . 51970 1 285 . 1 . 1 71 71 ASN H H 1 8.018 . . . . . . . . 568 N HN . 51970 1 286 . 1 . 1 71 71 ASN C C 13 174.674 . . . . . . . . 568 N CO . 51970 1 287 . 1 . 1 71 71 ASN CA C 13 53.018 . . . . . . . . 568 N CA . 51970 1 288 . 1 . 1 71 71 ASN CB C 13 38.871 . . . . . . . . 568 N CB . 51970 1 289 . 1 . 1 71 71 ASN N N 15 118.831 . . . . . . . . 568 N N . 51970 1 290 . 1 . 1 72 72 GLN H H 1 8.004 . . . . . . . . 569 Q HN . 51970 1 291 . 1 . 1 72 72 GLN C C 13 179.915 . . . . . . . . 569 Q CO . 51970 1 292 . 1 . 1 72 72 GLN CA C 13 53.747 . . . . . . . . 569 Q CA . 51970 1 293 . 1 . 1 72 72 GLN CB C 13 28.771 . . . . . . . . 569 Q CB . 51970 1 294 . 1 . 1 72 72 GLN N N 15 121.804 . . . . . . . . 569 Q N . 51970 1 295 . 1 . 1 73 73 PRO C C 13 176.659 . . . . . . . . 570 P CO . 51970 1 296 . 1 . 1 73 73 PRO CA C 13 63.042 . . . . . . . . 570 P CA . 51970 1 297 . 1 . 1 73 73 PRO CB C 13 32.109 . . . . . . . . 570 P CB . 51970 1 298 . 1 . 1 74 74 LYS H H 1 8.339 . . . . . . . . 571 K HN . 51970 1 299 . 1 . 1 74 74 LYS C C 13 175.825 . . . . . . . . 571 K CO . 51970 1 300 . 1 . 1 74 74 LYS CA C 13 56.206 . . . . . . . . 571 K CA . 51970 1 301 . 1 . 1 74 74 LYS CB C 13 33.087 . . . . . . . . 571 K CB . 51970 1 302 . 1 . 1 74 74 LYS N N 15 122.878 . . . . . . . . 571 K N . 51970 1 303 . 1 . 1 75 75 SER H H 1 7.817 . . . . . . . . 572 S HN . 51970 1 304 . 1 . 1 75 75 SER C C 13 172.546 . . . . . . . . 572 S CO . 51970 1 305 . 1 . 1 75 75 SER CA C 13 59.829 . . . . . . . . 572 S CA . 51970 1 306 . 1 . 1 75 75 SER CB C 13 64.781 . . . . . . . . 572 S CB . 51970 1 307 . 1 . 1 75 75 SER N N 15 123.275 . . . . . . . . 572 S N . 51970 1 stop_ save_