data_28033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28033 _Entry.Title ; Backbone assignments for the Asciz QT2-4/LC8 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-24 _Entry.Accession_date 2019-10-24 _Entry.Last_release_date 2019-10-25 _Entry.Original_release_date 2019-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 Patrick Reardon . . . . 28033 2 Elisar Barbar . . . . 28033 3 Kayla Jara . . . . 28033 4 Delaney Smith . . . . 28033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 149 28033 '15N chemical shifts' 53 28033 '1H chemical shifts' 53 28033 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-04-17 2019-10-24 update BMRB 'update entry citation' 28033 1 . . 2020-03-05 2019-10-24 original author 'original release' 28033 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28033 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32139510 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The dynein light chain 8 (LC8) binds predominantly "in-register" to a multivalent intrinsically disordered partner ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 4912 _Citation.Page_last 4922 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Patrick Reardon P. N. . . 28033 1 2 Kayla Jara K. A. . . 28033 1 3 Amber Rolland A. D. . . 28033 1 4 Delaney Smith D. A. . . 28033 1 5 Hanh Hoang . . . . 28033 1 6 James Prell J. S. . . 28033 1 7 Elisar Barbar E. J. . . 28033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28033 _Assembly.ID 1 _Assembly.Name 'LC8/QT2-4 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 8 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The predominate complex under these conditions is 2 QT2-4 chains and 3 LC8 homodimers.' _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 'QT2-4, chain 1' 1 $QT2-4 A . yes 'partially disordered' no no . . . 28033 1 2 'QT2-4, chain 2' 1 $QT2-4 B . yes 'partially disordered' no no . . . 28033 1 3 'LC8, chain 1-1' 2 $LC8 C . no native no no . . . 28033 1 4 'LC8, chain 1-2' 2 $LC8 D . no native no no . . . 28033 1 5 'LC8, chain 2-1' 2 $LC8 E . no native no no . . . 28033 1 6 'LC8, chain 2-2' 2 $LC8 F . no native no no . . . 28033 1 7 'LC8, chain 3-1' 2 $LC8 G . no native no no . . . 28033 1 8 'LC8, chain 4-2' 2 $LC8 H . no native no no . . . 28033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_QT2-4 _Entity.Sf_category entity _Entity.Sf_framecode QT2-4 _Entity.Entry_ID 28033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name QT2-4 _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 ; GAMHMNEVLAPLLRDIETQT PDTRGDIGTMTDDFPEEQEP VAVGSHFHAYSETEPMFDLQ TSAHMYTQTCDDLFEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 269 GLY . 28033 1 2 270 ALA . 28033 1 3 271 MET . 28033 1 4 272 HIS . 28033 1 5 273 MET . 28033 1 6 274 ASN . 28033 1 7 275 GLU . 28033 1 8 276 VAL . 28033 1 9 277 LEU . 28033 1 10 278 ALA . 28033 1 11 279 PRO . 28033 1 12 280 LEU . 28033 1 13 281 LEU . 28033 1 14 282 ARG . 28033 1 15 283 ASP . 28033 1 16 284 ILE . 28033 1 17 285 GLU . 28033 1 18 286 THR . 28033 1 19 287 GLN . 28033 1 20 288 THR . 28033 1 21 289 PRO . 28033 1 22 290 ASP . 28033 1 23 291 THR . 28033 1 24 292 ARG . 28033 1 25 293 GLY . 28033 1 26 294 ASP . 28033 1 27 295 ILE . 28033 1 28 296 GLY . 28033 1 29 297 THR . 28033 1 30 298 MET . 28033 1 31 299 THR . 28033 1 32 300 ASP . 28033 1 33 301 ASP . 28033 1 34 302 PHE . 28033 1 35 303 PRO . 28033 1 36 304 GLU . 28033 1 37 305 GLU . 28033 1 38 306 GLN . 28033 1 39 307 GLU . 28033 1 40 308 PRO . 28033 1 41 309 VAL . 28033 1 42 310 ALA . 28033 1 43 311 VAL . 28033 1 44 312 GLY . 28033 1 45 313 SER . 28033 1 46 314 HIS . 28033 1 47 315 PHE . 28033 1 48 316 HIS . 28033 1 49 317 ALA . 28033 1 50 318 TYR . 28033 1 51 319 SER . 28033 1 52 320 GLU . 28033 1 53 321 THR . 28033 1 54 322 GLU . 28033 1 55 323 PRO . 28033 1 56 324 MET . 28033 1 57 325 PHE . 28033 1 58 326 ASP . 28033 1 59 327 LEU . 28033 1 60 328 GLN . 28033 1 61 329 THR . 28033 1 62 330 SER . 28033 1 63 331 ALA . 28033 1 64 332 HIS . 28033 1 65 333 MET . 28033 1 66 334 TYR . 28033 1 67 335 THR . 28033 1 68 336 GLN . 28033 1 69 337 THR . 28033 1 70 338 CYS . 28033 1 71 339 ASP . 28033 1 72 340 ASP . 28033 1 73 341 LEU . 28033 1 74 342 PHE . 28033 1 75 343 GLU . 28033 1 76 344 GLU . 28033 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 28033 1 . ALA 2 2 28033 1 . MET 3 3 28033 1 . HIS 4 4 28033 1 . MET 5 5 28033 1 . ASN 6 6 28033 1 . GLU 7 7 28033 1 . VAL 8 8 28033 1 . LEU 9 9 28033 1 . ALA 10 10 28033 1 . PRO 11 11 28033 1 . LEU 12 12 28033 1 . LEU 13 13 28033 1 . ARG 14 14 28033 1 . ASP 15 15 28033 1 . ILE 16 16 28033 1 . GLU 17 17 28033 1 . THR 18 18 28033 1 . GLN 19 19 28033 1 . THR 20 20 28033 1 . PRO 21 21 28033 1 . ASP 22 22 28033 1 . THR 23 23 28033 1 . ARG 24 24 28033 1 . GLY 25 25 28033 1 . ASP 26 26 28033 1 . ILE 27 27 28033 1 . GLY 28 28 28033 1 . THR 29 29 28033 1 . MET 30 30 28033 1 . THR 31 31 28033 1 . ASP 32 32 28033 1 . ASP 33 33 28033 1 . PHE 34 34 28033 1 . PRO 35 35 28033 1 . GLU 36 36 28033 1 . GLU 37 37 28033 1 . GLN 38 38 28033 1 . GLU 39 39 28033 1 . PRO 40 40 28033 1 . VAL 41 41 28033 1 . ALA 42 42 28033 1 . VAL 43 43 28033 1 . GLY 44 44 28033 1 . SER 45 45 28033 1 . HIS 46 46 28033 1 . PHE 47 47 28033 1 . HIS 48 48 28033 1 . ALA 49 49 28033 1 . TYR 50 50 28033 1 . SER 51 51 28033 1 . GLU 52 52 28033 1 . THR 53 53 28033 1 . GLU 54 54 28033 1 . PRO 55 55 28033 1 . MET 56 56 28033 1 . PHE 57 57 28033 1 . ASP 58 58 28033 1 . LEU 59 59 28033 1 . GLN 60 60 28033 1 . THR 61 61 28033 1 . SER 62 62 28033 1 . ALA 63 63 28033 1 . HIS 64 64 28033 1 . MET 65 65 28033 1 . TYR 66 66 28033 1 . THR 67 67 28033 1 . GLN 68 68 28033 1 . THR 69 69 28033 1 . CYS 70 70 28033 1 . ASP 71 71 28033 1 . ASP 72 72 28033 1 . LEU 73 73 28033 1 . PHE 74 74 28033 1 . GLU 75 75 28033 1 . GLU 76 76 28033 1 stop_ save_ save_LC8 _Entity.Sf_category entity _Entity.Sf_framecode LC8 _Entity.Entry_ID 28033 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name LC8 _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 ; GAHMSDRKAVIKNADMSEEM QQDAVDCATQALEKYNIEKD IAAYIKKEFDKKYNPTWHCI VGRNFGSYVTHETRHFIYFY LGQVAILLFKSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 28033 2 2 . ALA . 28033 2 3 . HIS . 28033 2 4 . MET . 28033 2 5 . SER . 28033 2 6 . ASP . 28033 2 7 . ARG . 28033 2 8 . LYS . 28033 2 9 . ALA . 28033 2 10 . VAL . 28033 2 11 . ILE . 28033 2 12 . LYS . 28033 2 13 . ASN . 28033 2 14 . ALA . 28033 2 15 . ASP . 28033 2 16 . MET . 28033 2 17 . SER . 28033 2 18 . GLU . 28033 2 19 . GLU . 28033 2 20 . MET . 28033 2 21 . GLN . 28033 2 22 . GLN . 28033 2 23 . ASP . 28033 2 24 . ALA . 28033 2 25 . VAL . 28033 2 26 . ASP . 28033 2 27 . CYS . 28033 2 28 . ALA . 28033 2 29 . THR . 28033 2 30 . GLN . 28033 2 31 . ALA . 28033 2 32 . LEU . 28033 2 33 . GLU . 28033 2 34 . LYS . 28033 2 35 . TYR . 28033 2 36 . ASN . 28033 2 37 . ILE . 28033 2 38 . GLU . 28033 2 39 . LYS . 28033 2 40 . ASP . 28033 2 41 . ILE . 28033 2 42 . ALA . 28033 2 43 . ALA . 28033 2 44 . TYR . 28033 2 45 . ILE . 28033 2 46 . LYS . 28033 2 47 . LYS . 28033 2 48 . GLU . 28033 2 49 . PHE . 28033 2 50 . ASP . 28033 2 51 . LYS . 28033 2 52 . LYS . 28033 2 53 . TYR . 28033 2 54 . ASN . 28033 2 55 . PRO . 28033 2 56 . THR . 28033 2 57 . TRP . 28033 2 58 . HIS . 28033 2 59 . CYS . 28033 2 60 . ILE . 28033 2 61 . VAL . 28033 2 62 . GLY . 28033 2 63 . ARG . 28033 2 64 . ASN . 28033 2 65 . PHE . 28033 2 66 . GLY . 28033 2 67 . SER . 28033 2 68 . TYR . 28033 2 69 . VAL . 28033 2 70 . THR . 28033 2 71 . HIS . 28033 2 72 . GLU . 28033 2 73 . THR . 28033 2 74 . ARG . 28033 2 75 . HIS . 28033 2 76 . PHE . 28033 2 77 . ILE . 28033 2 78 . TYR . 28033 2 79 . PHE . 28033 2 80 . TYR . 28033 2 81 . LEU . 28033 2 82 . GLY . 28033 2 83 . GLN . 28033 2 84 . VAL . 28033 2 85 . ALA . 28033 2 86 . ILE . 28033 2 87 . LEU . 28033 2 88 . LEU . 28033 2 89 . PHE . 28033 2 90 . LYS . 28033 2 91 . SER . 28033 2 92 . GLY . 28033 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 . GLY 1 1 28033 2 . ALA 2 2 28033 2 . HIS 3 3 28033 2 . MET 4 4 28033 2 . SER 5 5 28033 2 . ASP 6 6 28033 2 . ARG 7 7 28033 2 . LYS 8 8 28033 2 . ALA 9 9 28033 2 . VAL 10 10 28033 2 . ILE 11 11 28033 2 . LYS 12 12 28033 2 . ASN 13 13 28033 2 . ALA 14 14 28033 2 . ASP 15 15 28033 2 . MET 16 16 28033 2 . SER 17 17 28033 2 . GLU 18 18 28033 2 . GLU 19 19 28033 2 . MET 20 20 28033 2 . GLN 21 21 28033 2 . GLN 22 22 28033 2 . ASP 23 23 28033 2 . ALA 24 24 28033 2 . VAL 25 25 28033 2 . ASP 26 26 28033 2 . CYS 27 27 28033 2 . ALA 28 28 28033 2 . THR 29 29 28033 2 . GLN 30 30 28033 2 . ALA 31 31 28033 2 . LEU 32 32 28033 2 . GLU 33 33 28033 2 . LYS 34 34 28033 2 . TYR 35 35 28033 2 . ASN 36 36 28033 2 . ILE 37 37 28033 2 . GLU 38 38 28033 2 . LYS 39 39 28033 2 . ASP 40 40 28033 2 . ILE 41 41 28033 2 . ALA 42 42 28033 2 . ALA 43 43 28033 2 . TYR 44 44 28033 2 . ILE 45 45 28033 2 . LYS 46 46 28033 2 . LYS 47 47 28033 2 . GLU 48 48 28033 2 . PHE 49 49 28033 2 . ASP 50 50 28033 2 . LYS 51 51 28033 2 . LYS 52 52 28033 2 . TYR 53 53 28033 2 . ASN 54 54 28033 2 . PRO 55 55 28033 2 . THR 56 56 28033 2 . TRP 57 57 28033 2 . HIS 58 58 28033 2 . CYS 59 59 28033 2 . ILE 60 60 28033 2 . VAL 61 61 28033 2 . GLY 62 62 28033 2 . ARG 63 63 28033 2 . ASN 64 64 28033 2 . PHE 65 65 28033 2 . GLY 66 66 28033 2 . SER 67 67 28033 2 . TYR 68 68 28033 2 . VAL 69 69 28033 2 . THR 70 70 28033 2 . HIS 71 71 28033 2 . GLU 72 72 28033 2 . THR 73 73 28033 2 . ARG 74 74 28033 2 . HIS 75 75 28033 2 . PHE 76 76 28033 2 . ILE 77 77 28033 2 . TYR 78 78 28033 2 . PHE 79 79 28033 2 . TYR 80 80 28033 2 . LEU 81 81 28033 2 . GLY 82 82 28033 2 . GLN 83 83 28033 2 . VAL 84 84 28033 2 . ALA 85 85 28033 2 . ILE 86 86 28033 2 . LEU 87 87 28033 2 . LEU 88 88 28033 2 . PHE 89 89 28033 2 . LYS 90 90 28033 2 . SER 91 91 28033 2 . GLY 92 92 28033 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28033 _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 $QT2-4 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 28033 1 2 2 $LC8 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 28033 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28033 _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 $QT2-4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET2Zt2-1a . . . 28033 1 2 2 $LC8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET2Zt2-1a . . . 28033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28033 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 QT2-4 '[U-13C; U-15N; U-2H]' . . 1 $QT2-4 . . 0.5 . . mM . . . . 28033 1 2 LC8 'natural abundance' . . 2 $LC8 . . 2.0 . . mM . . . . 28033 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 28033 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 28033 1 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 28033 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 28033 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 28033 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 28033 1 pressure 1 . atm 28033 1 temperature 273 . K 28033 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28033 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28033 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28033 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 28033 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 28033 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 28033 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 28033 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28033 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28033 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28033 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28033 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28033 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28033 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28033 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28033 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28033 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28033 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28033 1 2 '3D HNCO' . . . 28033 1 3 '3D HNCA' . . . 28033 1 4 '3D HNCACB' . . . 28033 1 5 '3D HN(CO)CA' . . . 28033 1 6 '3D CBCA(CO)NH' . . . 28033 1 7 '3D HCACO' . . . 28033 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 $NMRPipe . . 28033 1 2 $NMRView . . 28033 1 3 $CARA . . 28033 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 5 5 MET H H 1 8.1720 0.0000 . 1 . . . . . 273 MET H . 28033 1 2 . 1 . 1 5 5 MET C C 13 175.9770 0.0000 . 1 . . . . . 273 MET C . 28033 1 3 . 1 . 1 5 5 MET CA C 13 55.2720 0.0000 . 1 . . . . . 273 MET CA . 28033 1 4 . 1 . 1 5 5 MET CB C 13 31.5260 0.0000 . 1 . . . . . 273 MET CB . 28033 1 5 . 1 . 1 5 5 MET N N 15 120.6950 0.0000 . 1 . . . . . 273 MET N . 28033 1 6 . 1 . 1 6 6 ASN H H 1 8.3180 0.0000 . 1 . . . . . 274 ASN H . 28033 1 7 . 1 . 1 6 6 ASN C C 13 174.9270 0.0000 . 1 . . . . . 274 ASN C . 28033 1 8 . 1 . 1 6 6 ASN CA C 13 53.3350 0.0000 . 1 . . . . . 274 ASN CA . 28033 1 9 . 1 . 1 6 6 ASN CB C 13 38.2210 0.0000 . 1 . . . . . 274 ASN CB . 28033 1 10 . 1 . 1 6 6 ASN N N 15 119.4190 0.0000 . 1 . . . . . 274 ASN N . 28033 1 11 . 1 . 1 7 7 GLU H H 1 8.1430 0.0000 . 1 . . . . . 275 GLU H . 28033 1 12 . 1 . 1 7 7 GLU C C 13 176.0620 0.0000 . 1 . . . . . 275 GLU C . 28033 1 13 . 1 . 1 7 7 GLU CA C 13 56.2860 0.0000 . 1 . . . . . 275 GLU CA . 28033 1 14 . 1 . 1 7 7 GLU CB C 13 29.2400 0.0000 . 1 . . . . . 275 GLU CB . 28033 1 15 . 1 . 1 7 7 GLU N N 15 121.2630 0.0000 . 1 . . . . . 275 GLU N . 28033 1 16 . 1 . 1 8 8 VAL H H 1 7.9600 0.0000 . 1 . . . . . 276 VAL H . 28033 1 17 . 1 . 1 8 8 VAL C C 13 175.7780 0.0000 . 1 . . . . . 276 VAL C . 28033 1 18 . 1 . 1 8 8 VAL CA C 13 61.9740 0.0000 . 1 . . . . . 276 VAL CA . 28033 1 19 . 1 . 1 8 8 VAL CB C 13 31.5070 0.0000 . 1 . . . . . 276 VAL CB . 28033 1 20 . 1 . 1 8 8 VAL N N 15 121.5460 0.0000 . 1 . . . . . 276 VAL N . 28033 1 21 . 1 . 1 9 9 LEU H H 1 8.0770 0.0000 . 1 . . . . . 277 LEU H . 28033 1 22 . 1 . 1 9 9 LEU C C 13 176.2670 0.0000 . 1 . . . . . 277 LEU C . 28033 1 23 . 1 . 1 9 9 LEU CA C 13 54.3800 0.0000 . 1 . . . . . 277 LEU CA . 28033 1 24 . 1 . 1 9 9 LEU CB C 13 41.2420 0.0000 . 1 . . . . . 277 LEU CB . 28033 1 25 . 1 . 1 9 9 LEU N N 15 126.2260 0.0000 . 1 . . . . . 277 LEU N . 28033 1 26 . 1 . 1 10 10 ALA H H 1 7.9780 0.0000 . 1 . . . . . 278 ALA H . 28033 1 27 . 1 . 1 10 10 ALA C C 13 175.0370 0.0000 . 1 . . . . . 278 ALA C . 28033 1 28 . 1 . 1 10 10 ALA CA C 13 49.8920 0.0000 . 1 . . . . . 278 ALA CA . 28033 1 29 . 1 . 1 10 10 ALA CB C 13 17.4030 0.0000 . 1 . . . . . 278 ALA CB . 28033 1 30 . 1 . 1 10 10 ALA N N 15 126.3060 0.0000 . 1 . . . . . 278 ALA N . 28033 1 31 . 1 . 1 11 11 PRO CA C 13 62.4050 0.0000 . 1 . . . . . 279 PRO CA . 28033 1 32 . 1 . 1 11 11 PRO CB C 13 31.2000 0.0000 . 1 . . . . . 279 PRO CB . 28033 1 33 . 1 . 1 12 12 LEU H H 1 8.2540 0.0000 . 1 . . . . . 280 LEU H . 28033 1 34 . 1 . 1 12 12 LEU C C 13 176.1610 0.0000 . 1 . . . . . 280 LEU C . 28033 1 35 . 1 . 1 12 12 LEU CA C 13 55.1180 0.0000 . 1 . . . . . 280 LEU CA . 28033 1 36 . 1 . 1 12 12 LEU CB C 13 41.3230 0.0000 . 1 . . . . . 280 LEU CB . 28033 1 37 . 1 . 1 12 12 LEU N N 15 122.9820 0.0000 . 1 . . . . . 280 LEU N . 28033 1 38 . 1 . 1 13 13 LEU H H 1 7.7020 0.0000 . 1 . . . . . 281 LEU H . 28033 1 39 . 1 . 1 13 13 LEU C C 13 176.6010 0.0000 . 1 . . . . . 281 LEU C . 28033 1 40 . 1 . 1 13 13 LEU CA C 13 52.8890 0.0000 . 1 . . . . . 281 LEU CA . 28033 1 41 . 1 . 1 13 13 LEU CB C 13 42.9560 0.0000 . 1 . . . . . 281 LEU CB . 28033 1 42 . 1 . 1 13 13 LEU N N 15 122.0330 0.0000 . 1 . . . . . 281 LEU N . 28033 1 43 . 1 . 1 14 14 ARG H H 1 8.4080 0.0000 . 1 . . . . . 282 ARG H . 28033 1 44 . 1 . 1 14 14 ARG C C 13 173.0960 0.0000 . 1 . . . . . 282 ARG C . 28033 1 45 . 1 . 1 14 14 ARG CA C 13 54.2730 0.0000 . 1 . . . . . 282 ARG CA . 28033 1 46 . 1 . 1 14 14 ARG CB C 13 32.8330 0.0000 . 1 . . . . . 282 ARG CB . 28033 1 47 . 1 . 1 14 14 ARG N N 15 121.6940 0.0000 . 1 . . . . . 282 ARG N . 28033 1 48 . 1 . 1 15 15 ASP H H 1 7.9220 0.0000 . 1 . . . . . 283 ASP H . 28033 1 49 . 1 . 1 15 15 ASP C C 13 175.6930 0.0000 . 1 . . . . . 283 ASP C . 28033 1 50 . 1 . 1 15 15 ASP CA C 13 52.3660 0.0000 . 1 . . . . . 283 ASP CA . 28033 1 51 . 1 . 1 15 15 ASP CB C 13 40.7520 0.0000 . 1 . . . . . 283 ASP CB . 28033 1 52 . 1 . 1 15 15 ASP N N 15 123.6810 0.0000 . 1 . . . . . 283 ASP N . 28033 1 53 . 1 . 1 16 16 ILE H H 1 8.7300 0.0000 . 1 . . . . . 284 ILE H . 28033 1 54 . 1 . 1 16 16 ILE C C 13 170.0880 0.0000 . 1 . . . . . 284 ILE C . 28033 1 55 . 1 . 1 16 16 ILE CA C 13 57.6850 0.0000 . 1 . . . . . 284 ILE CA . 28033 1 56 . 1 . 1 16 16 ILE CB C 13 41.6500 0.0000 . 1 . . . . . 284 ILE CB . 28033 1 57 . 1 . 1 16 16 ILE N N 15 121.6520 0.0000 . 1 . . . . . 284 ILE N . 28033 1 58 . 1 . 1 17 17 GLU H H 1 7.0990 0.0000 . 1 . . . . . 285 GLU H . 28033 1 59 . 1 . 1 17 17 GLU C C 13 175.4090 0.0000 . 1 . . . . . 285 GLU C . 28033 1 60 . 1 . 1 17 17 GLU CA C 13 52.0280 0.0000 . 1 . . . . . 285 GLU CA . 28033 1 61 . 1 . 1 17 17 GLU CB C 13 32.0980 0.0000 . 1 . . . . . 285 GLU CB . 28033 1 62 . 1 . 1 17 17 GLU N N 15 120.0460 0.0000 . 1 . . . . . 285 GLU N . 28033 1 63 . 1 . 1 18 18 THR H H 1 7.9850 0.0000 . 1 . . . . . 286 THR H . 28033 1 64 . 1 . 1 18 18 THR CA C 13 60.0990 0.0000 . 1 . . . . . 286 THR CA . 28033 1 65 . 1 . 1 18 18 THR CB C 13 70.5850 0.0000 . 1 . . . . . 286 THR CB . 28033 1 66 . 1 . 1 18 18 THR N N 15 111.0120 0.0000 . 1 . . . . . 286 THR N . 28033 1 67 . 1 . 1 19 19 GLN H H 1 7.6820 0.0000 . 1 . . . . . 287 GLN H . 28033 1 68 . 1 . 1 19 19 GLN CA C 13 55.3950 0.0000 . 1 . . . . . 287 GLN CA . 28033 1 69 . 1 . 1 19 19 GLN CB C 13 31.5600 0.0000 . 1 . . . . . 287 GLN CB . 28033 1 70 . 1 . 1 19 19 GLN N N 15 120.2960 0.0000 . 1 . . . . . 287 GLN N . 28033 1 71 . 1 . 1 25 25 GLY H H 1 8.0970 0.0000 . 1 . . . . . 293 GLY H . 28033 1 72 . 1 . 1 25 25 GLY CA C 13 43.8960 0.0000 . 1 . . . . . 293 GLY CA . 28033 1 73 . 1 . 1 25 25 GLY N N 15 107.9310 0.0000 . 1 . . . . . 293 GLY N . 28033 1 74 . 1 . 1 26 26 ASP H H 1 7.8610 0.0000 . 1 . . . . . 294 ASP H . 28033 1 75 . 1 . 1 26 26 ASP CA C 13 52.0280 0.0000 . 1 . . . . . 294 ASP CA . 28033 1 76 . 1 . 1 26 26 ASP CB C 13 41.4690 0.0000 . 1 . . . . . 294 ASP CB . 28033 1 77 . 1 . 1 26 26 ASP N N 15 119.9240 0.0000 . 1 . . . . . 294 ASP N . 28033 1 78 . 1 . 1 27 27 ILE H H 1 8.5790 0.0000 . 1 . . . . . 295 ILE H . 28033 1 79 . 1 . 1 27 27 ILE C C 13 170.3860 0.0000 . 1 . . . . . 295 ILE C . 28033 1 80 . 1 . 1 27 27 ILE CA C 13 58.9310 0.0000 . 1 . . . . . 295 ILE CA . 28033 1 81 . 1 . 1 27 27 ILE CB C 13 41.1040 0.0000 . 1 . . . . . 295 ILE CB . 28033 1 82 . 1 . 1 27 27 ILE N N 15 122.9290 0.0000 . 1 . . . . . 295 ILE N . 28033 1 83 . 1 . 1 28 28 GLY H H 1 7.4830 0.0000 . 1 . . . . . 296 GLY H . 28033 1 84 . 1 . 1 28 28 GLY CA C 13 44.0500 0.0000 . 1 . . . . . 296 GLY CA . 28033 1 85 . 1 . 1 28 28 GLY N N 15 109.9180 0.0000 . 1 . . . . . 296 GLY N . 28033 1 86 . 1 . 1 29 29 THR CA C 13 59.6380 0.0000 . 1 . . . . . 297 THR CA . 28033 1 87 . 1 . 1 29 29 THR CB C 13 71.1560 0.0000 . 1 . . . . . 297 THR CB . 28033 1 88 . 1 . 1 30 30 MET H H 1 8.0350 0.0000 . 1 . . . . . 298 MET H . 28033 1 89 . 1 . 1 30 30 MET C C 13 177.8640 0.0000 . 1 . . . . . 298 MET C . 28033 1 90 . 1 . 1 30 30 MET CA C 13 53.7960 0.0000 . 1 . . . . . 298 MET CA . 28033 1 91 . 1 . 1 30 30 MET CB C 13 35.6420 0.0000 . 1 . . . . . 298 MET CB . 28033 1 92 . 1 . 1 30 30 MET N N 15 119.3940 0.0000 . 1 . . . . . 298 MET N . 28033 1 93 . 1 . 1 31 31 THR H H 1 7.7010 0.0000 . 1 . . . . . 299 THR H . 28033 1 94 . 1 . 1 31 31 THR CA C 13 60.7750 0.0000 . 1 . . . . . 299 THR CA . 28033 1 95 . 1 . 1 31 31 THR CB C 13 68.7070 0.0000 . 1 . . . . . 299 THR CB . 28033 1 96 . 1 . 1 31 31 THR N N 15 117.2590 0.0000 . 1 . . . . . 299 THR N . 28033 1 97 . 1 . 1 32 32 ASP H H 1 7.9060 0.0000 . 1 . . . . . 300 ASP H . 28033 1 98 . 1 . 1 32 32 ASP CA C 13 53.7350 0.0000 . 1 . . . . . 300 ASP CA . 28033 1 99 . 1 . 1 32 32 ASP CB C 13 41.3570 0.0000 . 1 . . . . . 300 ASP CB . 28033 1 100 . 1 . 1 32 32 ASP N N 15 120.7290 0.0000 . 1 . . . . . 300 ASP N . 28033 1 101 . 1 . 1 35 35 PRO CA C 13 62.8040 0.0000 . 1 . . . . . 303 PRO CA . 28033 1 102 . 1 . 1 35 35 PRO CB C 13 30.9550 0.0000 . 1 . . . . . 303 PRO CB . 28033 1 103 . 1 . 1 36 36 GLU H H 1 8.3510 0.0000 . 1 . . . . . 304 GLU H . 28033 1 104 . 1 . 1 36 36 GLU CA C 13 56.2560 0.0000 . 1 . . . . . 304 GLU CA . 28033 1 105 . 1 . 1 36 36 GLU CB C 13 29.3220 0.0000 . 1 . . . . . 304 GLU CB . 28033 1 106 . 1 . 1 36 36 GLU N N 15 121.3690 0.0000 . 1 . . . . . 304 GLU N . 28033 1 107 . 1 . 1 37 37 GLU H H 1 8.3010 0.0000 . 1 . . . . . 305 GLU H . 28033 1 108 . 1 . 1 37 37 GLU C C 13 175.0800 0.0000 . 1 . . . . . 305 GLU C . 28033 1 109 . 1 . 1 37 37 GLU CA C 13 56.0710 0.0000 . 1 . . . . . 305 GLU CA . 28033 1 110 . 1 . 1 37 37 GLU CB C 13 29.4040 0.0000 . 1 . . . . . 305 GLU CB . 28033 1 111 . 1 . 1 37 37 GLU N N 15 122.0780 0.0000 . 1 . . . . . 305 GLU N . 28033 1 112 . 1 . 1 38 38 GLN H H 1 8.2220 0.0000 . 1 . . . . . 306 GLN H . 28033 1 113 . 1 . 1 38 38 GLN C C 13 175.5080 0.0000 . 1 . . . . . 306 GLN C . 28033 1 114 . 1 . 1 38 38 GLN CA C 13 55.0870 0.0000 . 1 . . . . . 306 GLN CA . 28033 1 115 . 1 . 1 38 38 GLN CB C 13 29.0770 0.0000 . 1 . . . . . 306 GLN CB . 28033 1 116 . 1 . 1 38 38 GLN N N 15 121.6100 0.0000 . 1 . . . . . 306 GLN N . 28033 1 117 . 1 . 1 39 39 GLU H H 1 8.3010 0.0000 . 1 . . . . . 307 GLU H . 28033 1 118 . 1 . 1 39 39 GLU C C 13 174.4160 0.0000 . 1 . . . . . 307 GLU C . 28033 1 119 . 1 . 1 39 39 GLU CA C 13 54.0420 0.0000 . 1 . . . . . 307 GLU CA . 28033 1 120 . 1 . 1 39 39 GLU CB C 13 28.7970 0.0000 . 1 . . . . . 307 GLU CB . 28033 1 121 . 1 . 1 39 39 GLU N N 15 123.8600 0.0000 . 1 . . . . . 307 GLU N . 28033 1 122 . 1 . 1 40 40 PRO CA C 13 62.7430 0.0000 . 1 . . . . . 308 PRO CA . 28033 1 123 . 1 . 1 40 40 PRO CB C 13 30.9410 0.0000 . 1 . . . . . 308 PRO CB . 28033 1 124 . 1 . 1 41 41 VAL H H 1 7.9920 0.0000 . 1 . . . . . 309 VAL H . 28033 1 125 . 1 . 1 41 41 VAL C C 13 175.6930 0.0000 . 1 . . . . . 309 VAL C . 28033 1 126 . 1 . 1 41 41 VAL CA C 13 61.7280 0.0000 . 1 . . . . . 309 VAL CA . 28033 1 127 . 1 . 1 41 41 VAL CB C 13 31.5260 0.0000 . 1 . . . . . 309 VAL CB . 28033 1 128 . 1 . 1 41 41 VAL N N 15 120.2700 0.0000 . 1 . . . . . 309 VAL N . 28033 1 129 . 1 . 1 42 42 ALA H H 1 8.1810 0.0000 . 1 . . . . . 310 ALA H . 28033 1 130 . 1 . 1 42 42 ALA C C 13 177.4100 0.0000 . 1 . . . . . 310 ALA C . 28033 1 131 . 1 . 1 42 42 ALA CA C 13 51.7670 0.0000 . 1 . . . . . 310 ALA CA . 28033 1 132 . 1 . 1 42 42 ALA CB C 13 18.3010 0.0000 . 1 . . . . . 310 ALA CB . 28033 1 133 . 1 . 1 42 42 ALA N N 15 127.7420 0.0000 . 1 . . . . . 310 ALA N . 28033 1 134 . 1 . 1 43 43 VAL H H 1 7.9500 0.0000 . 1 . . . . . 311 VAL H . 28033 1 135 . 1 . 1 43 43 VAL C C 13 176.5590 0.0000 . 1 . . . . . 311 VAL C . 28033 1 136 . 1 . 1 43 43 VAL CA C 13 62.0050 0.0000 . 1 . . . . . 311 VAL CA . 28033 1 137 . 1 . 1 43 43 VAL CB C 13 31.7710 0.0000 . 1 . . . . . 311 VAL CB . 28033 1 138 . 1 . 1 43 43 VAL N N 15 119.8180 0.0000 . 1 . . . . . 311 VAL N . 28033 1 139 . 1 . 1 44 44 GLY H H 1 8.3030 0.0000 . 1 . . . . . 312 GLY H . 28033 1 140 . 1 . 1 44 44 GLY C C 13 173.9900 0.0000 . 1 . . . . . 312 GLY C . 28033 1 141 . 1 . 1 44 44 GLY CA C 13 44.8190 0.0000 . 1 . . . . . 312 GLY CA . 28033 1 142 . 1 . 1 44 44 GLY N N 15 112.1860 0.0000 . 1 . . . . . 312 GLY N . 28033 1 143 . 1 . 1 45 45 SER H H 1 8.0160 0.0000 . 1 . . . . . 313 SER H . 28033 1 144 . 1 . 1 45 45 SER N N 15 115.6300 0.0000 . 1 . . . . . 313 SER N . 28033 1 145 . 1 . 1 50 50 TYR H H 1 8.0070 0.0000 . 1 . . . . . 318 TYR H . 28033 1 146 . 1 . 1 50 50 TYR C C 13 175.6220 0.0000 . 1 . . . . . 318 TYR C . 28033 1 147 . 1 . 1 50 50 TYR CA C 13 57.6520 0.0000 . 1 . . . . . 318 TYR CA . 28033 1 148 . 1 . 1 50 50 TYR CB C 13 37.8940 0.0000 . 1 . . . . . 318 TYR CB . 28033 1 149 . 1 . 1 50 50 TYR N N 15 119.7910 0.0000 . 1 . . . . . 318 TYR N . 28033 1 150 . 1 . 1 51 51 SER H H 1 7.9930 0.0000 . 1 . . . . . 319 SER H . 28033 1 151 . 1 . 1 51 51 SER C C 13 175.5510 0.0000 . 1 . . . . . 319 SER C . 28033 1 152 . 1 . 1 51 51 SER CA C 13 57.6520 0.0000 . 1 . . . . . 319 SER CA . 28033 1 153 . 1 . 1 51 51 SER CB C 13 63.5300 0.0000 . 1 . . . . . 319 SER CB . 28033 1 154 . 1 . 1 51 51 SER N N 15 117.4680 0.0000 . 1 . . . . . 319 SER N . 28033 1 155 . 1 . 1 52 52 GLU H H 1 8.3060 0.0000 . 1 . . . . . 320 GLU H . 28033 1 156 . 1 . 1 52 52 GLU C C 13 176.4170 0.0000 . 1 . . . . . 320 GLU C . 28033 1 157 . 1 . 1 52 52 GLU CA C 13 56.4400 0.0000 . 1 . . . . . 320 GLU CA . 28033 1 158 . 1 . 1 52 52 GLU CB C 13 29.2400 0.0000 . 1 . . . . . 320 GLU CB . 28033 1 159 . 1 . 1 52 52 GLU N N 15 123.0090 0.0000 . 1 . . . . . 320 GLU N . 28033 1 160 . 1 . 1 53 53 THR H H 1 7.9380 0.0000 . 1 . . . . . 321 THR H . 28033 1 161 . 1 . 1 53 53 THR C C 13 174.0890 0.0000 . 1 . . . . . 321 THR C . 28033 1 162 . 1 . 1 53 53 THR CA C 13 61.3290 0.0000 . 1 . . . . . 321 THR CA . 28033 1 163 . 1 . 1 53 53 THR CB C 13 69.3260 0.0000 . 1 . . . . . 321 THR CB . 28033 1 164 . 1 . 1 53 53 THR N N 15 113.8340 0.0000 . 1 . . . . . 321 THR N . 28033 1 165 . 1 . 1 54 54 GLU H H 1 8.0820 0.0000 . 1 . . . . . 322 GLU H . 28033 1 166 . 1 . 1 54 54 GLU CA C 13 53.9810 0.0000 . 1 . . . . . 322 GLU CA . 28033 1 167 . 1 . 1 54 54 GLU CB C 13 28.8320 0.0000 . 1 . . . . . 322 GLU CB . 28033 1 168 . 1 . 1 54 54 GLU N N 15 124.5240 0.0000 . 1 . . . . . 322 GLU N . 28033 1 169 . 1 . 1 55 55 PRO CA C 13 62.8770 0.0000 . 1 . . . . . 323 PRO CA . 28033 1 170 . 1 . 1 55 55 PRO CB C 13 30.8730 0.0000 . 1 . . . . . 323 PRO CB . 28033 1 171 . 1 . 1 56 56 MET H H 1 8.1390 0.0000 . 1 . . . . . 324 MET H . 28033 1 172 . 1 . 1 56 56 MET CA C 13 54.9570 0.0000 . 1 . . . . . 324 MET CA . 28033 1 173 . 1 . 1 56 56 MET CB C 13 31.8530 0.0000 . 1 . . . . . 324 MET CB . 28033 1 174 . 1 . 1 56 56 MET N N 15 120.2220 0.0000 . 1 . . . . . 324 MET N . 28033 1 175 . 1 . 1 57 57 PHE H H 1 7.9330 0.0000 . 1 . . . . . 325 PHE H . 28033 1 176 . 1 . 1 57 57 PHE CA C 13 57.0550 0.0000 . 1 . . . . . 325 PHE CA . 28033 1 177 . 1 . 1 57 57 PHE CB C 13 38.9560 0.0000 . 1 . . . . . 325 PHE CB . 28033 1 178 . 1 . 1 57 57 PHE N N 15 120.7480 0.0000 . 1 . . . . . 325 PHE N . 28033 1 179 . 1 . 1 58 58 ASP H H 1 8.2170 0.0000 . 1 . . . . . 326 ASP H . 28033 1 180 . 1 . 1 58 58 ASP CA C 13 53.7000 0.0000 . 1 . . . . . 326 ASP CA . 28033 1 181 . 1 . 1 58 58 ASP CB C 13 40.4020 0.0000 . 1 . . . . . 326 ASP CB . 28033 1 182 . 1 . 1 58 58 ASP N N 15 121.8320 0.0000 . 1 . . . . . 326 ASP N . 28033 1 183 . 1 . 1 59 59 LEU H H 1 7.9500 0.0000 . 1 . . . . . 327 LEU H . 28033 1 184 . 1 . 1 59 59 LEU C C 13 177.0410 0.0000 . 1 . . . . . 327 LEU C . 28033 1 185 . 1 . 1 59 59 LEU CA C 13 54.9340 0.0000 . 1 . . . . . 327 LEU CA . 28033 1 186 . 1 . 1 59 59 LEU CB C 13 41.0780 0.0000 . 1 . . . . . 327 LEU CB . 28033 1 187 . 1 . 1 59 59 LEU N N 15 123.0090 0.0000 . 1 . . . . . 327 LEU N . 28033 1 188 . 1 . 1 60 60 GLN H H 1 8.3080 0.0000 . 1 . . . . . 328 GLN H . 28033 1 189 . 1 . 1 60 60 GLN C C 13 176.4170 0.0000 . 1 . . . . . 328 GLN C . 28033 1 190 . 1 . 1 60 60 GLN CA C 13 55.6410 0.0000 . 1 . . . . . 328 GLN CA . 28033 1 191 . 1 . 1 60 60 GLN CB C 13 28.3420 0.0000 . 1 . . . . . 328 GLN CB . 28033 1 192 . 1 . 1 60 60 GLN N N 15 120.8550 0.0000 . 1 . . . . . 328 GLN N . 28033 1 193 . 1 . 1 61 61 THR H H 1 8.0870 0.0000 . 1 . . . . . 329 THR H . 28033 1 194 . 1 . 1 61 61 THR C C 13 174.2310 0.0000 . 1 . . . . . 329 THR C . 28033 1 195 . 1 . 1 61 61 THR CA C 13 61.4210 0.0000 . 1 . . . . . 329 THR CA . 28033 1 196 . 1 . 1 61 61 THR CB C 13 69.1630 0.0000 . 1 . . . . . 329 THR CB . 28033 1 197 . 1 . 1 61 61 THR N N 15 113.6750 0.0000 . 1 . . . . . 329 THR N . 28033 1 198 . 1 . 1 62 62 SER H H 1 7.7760 0.0000 . 1 . . . . . 330 SER H . 28033 1 199 . 1 . 1 62 62 SER C C 13 171.8190 0.0000 . 1 . . . . . 330 SER C . 28033 1 200 . 1 . 1 62 62 SER CA C 13 56.6860 0.0000 . 1 . . . . . 330 SER CA . 28033 1 201 . 1 . 1 62 62 SER CB C 13 65.3260 0.0000 . 1 . . . . . 330 SER CB . 28033 1 202 . 1 . 1 62 62 SER N N 15 117.6370 0.0000 . 1 . . . . . 330 SER N . 28033 1 203 . 1 . 1 63 63 ALA H H 1 8.2010 0.0000 . 1 . . . . . 331 ALA H . 28033 1 204 . 1 . 1 63 63 ALA C C 13 173.6500 0.0000 . 1 . . . . . 331 ALA C . 28033 1 205 . 1 . 1 63 63 ALA CA C 13 50.2910 0.0000 . 1 . . . . . 331 ALA CA . 28033 1 206 . 1 . 1 63 63 ALA CB C 13 21.1920 0.0000 . 1 . . . . . 331 ALA CB . 28033 1 207 . 1 . 1 63 63 ALA N N 15 123.7530 0.0000 . 1 . . . . . 331 ALA N . 28033 1 208 . 1 . 1 64 64 HIS H H 1 7.5800 0.0000 . 1 . . . . . 332 HIS H . 28033 1 209 . 1 . 1 64 64 HIS C C 13 176.7150 0.0000 . 1 . . . . . 332 HIS C . 28033 1 210 . 1 . 1 64 64 HIS CA C 13 53.2430 0.0000 . 1 . . . . . 332 HIS CA . 28033 1 211 . 1 . 1 64 64 HIS CB C 13 31.2000 0.0000 . 1 . . . . . 332 HIS CB . 28033 1 212 . 1 . 1 64 64 HIS N N 15 118.1690 0.0000 . 1 . . . . . 332 HIS N . 28033 1 213 . 1 . 1 65 65 MET H H 1 8.9100 0.0000 . 1 . . . . . 333 MET H . 28033 1 214 . 1 . 1 65 65 MET C C 13 172.7700 0.0000 . 1 . . . . . 333 MET C . 28033 1 215 . 1 . 1 65 65 MET CA C 13 52.5510 0.0000 . 1 . . . . . 333 MET CA . 28033 1 216 . 1 . 1 65 65 MET CB C 13 34.7440 0.0000 . 1 . . . . . 333 MET CB . 28033 1 217 . 1 . 1 65 65 MET N N 15 122.8780 0.0000 . 1 . . . . . 333 MET N . 28033 1 218 . 1 . 1 66 66 TYR H H 1 7.3100 0.0000 . 1 . . . . . 334 TYR H . 28033 1 219 . 1 . 1 66 66 TYR C C 13 176.0620 0.0000 . 1 . . . . . 334 TYR C . 28033 1 220 . 1 . 1 66 66 TYR CA C 13 54.9800 0.0000 . 1 . . . . . 334 TYR CA . 28033 1 221 . 1 . 1 66 66 TYR CB C 13 41.5200 0.0000 . 1 . . . . . 334 TYR CB . 28033 1 222 . 1 . 1 66 66 TYR N N 15 118.5250 0.0000 . 1 . . . . . 334 TYR N . 28033 1 223 . 1 . 1 67 67 THR H H 1 8.1440 0.0000 . 1 . . . . . 335 THR H . 28033 1 224 . 1 . 1 67 67 THR C C 13 172.0040 0.0000 . 1 . . . . . 335 THR C . 28033 1 225 . 1 . 1 67 67 THR CA C 13 60.6520 0.0000 . 1 . . . . . 335 THR CA . 28033 1 226 . 1 . 1 67 67 THR CB C 13 70.7480 0.0000 . 1 . . . . . 335 THR CB . 28033 1 227 . 1 . 1 67 67 THR N N 15 110.0580 0.0000 . 1 . . . . . 335 THR N . 28033 1 228 . 1 . 1 68 68 GLN H H 1 7.8130 0.0000 . 1 . . . . . 336 GLN H . 28033 1 229 . 1 . 1 68 68 GLN CA C 13 55.2720 0.0000 . 1 . . . . . 336 GLN CA . 28033 1 230 . 1 . 1 68 68 GLN CB C 13 31.2340 0.0000 . 1 . . . . . 336 GLN CB . 28033 1 231 . 1 . 1 68 68 GLN N N 15 121.2270 0.0000 . 1 . . . . . 336 GLN N . 28033 1 232 . 1 . 1 72 72 ASP H H 1 8.1590 0.0000 . 1 . . . . . 340 ASP H . 28033 1 233 . 1 . 1 72 72 ASP CA C 13 54.3800 0.0000 . 1 . . . . . 340 ASP CA . 28033 1 234 . 1 . 1 72 72 ASP CB C 13 39.9690 0.0000 . 1 . . . . . 340 ASP CB . 28033 1 235 . 1 . 1 72 72 ASP N N 15 119.3660 0.0000 . 1 . . . . . 340 ASP N . 28033 1 236 . 1 . 1 73 73 LEU H H 1 7.6490 0.0000 . 1 . . . . . 341 LEU H . 28033 1 237 . 1 . 1 73 73 LEU C C 13 176.5870 0.0000 . 1 . . . . . 341 LEU C . 28033 1 238 . 1 . 1 73 73 LEU CA C 13 55.1800 0.0000 . 1 . . . . . 341 LEU CA . 28033 1 239 . 1 . 1 73 73 LEU CB C 13 40.7550 0.0000 . 1 . . . . . 341 LEU CB . 28033 1 240 . 1 . 1 73 73 LEU N N 15 121.3860 0.0000 . 1 . . . . . 341 LEU N . 28033 1 241 . 1 . 1 74 74 PHE H H 1 7.5720 0.0000 . 1 . . . . . 342 PHE H . 28033 1 242 . 1 . 1 74 74 PHE C C 13 175.3380 0.0000 . 1 . . . . . 342 PHE C . 28033 1 243 . 1 . 1 74 74 PHE CA C 13 56.9320 0.0000 . 1 . . . . . 342 PHE CA . 28033 1 244 . 1 . 1 74 74 PHE CB C 13 38.6290 0.0000 . 1 . . . . . 342 PHE CB . 28033 1 245 . 1 . 1 74 74 PHE N N 15 118.5410 0.0000 . 1 . . . . . 342 PHE N . 28033 1 246 . 1 . 1 75 75 GLU H H 1 7.8690 0.0000 . 1 . . . . . 343 GLU H . 28033 1 247 . 1 . 1 75 75 GLU C C 13 175.0830 0.0000 . 1 . . . . . 343 GLU C . 28033 1 248 . 1 . 1 75 75 GLU CA C 13 55.9480 0.0000 . 1 . . . . . 343 GLU CA . 28033 1 249 . 1 . 1 75 75 GLU CB C 13 29.8940 0.0000 . 1 . . . . . 343 GLU CB . 28033 1 250 . 1 . 1 75 75 GLU N N 15 122.4370 0.0000 . 1 . . . . . 343 GLU N . 28033 1 251 . 1 . 1 76 76 GLU H H 1 7.8520 0.0000 . 1 . . . . . 344 GLU H . 28033 1 252 . 1 . 1 76 76 GLU C C 13 180.8580 0.0000 . 1 . . . . . 344 GLU C . 28033 1 253 . 1 . 1 76 76 GLU CA C 13 57.6390 0.0000 . 1 . . . . . 344 GLU CA . 28033 1 254 . 1 . 1 76 76 GLU CB C 13 30.2200 0.0000 . 1 . . . . . 344 GLU CB . 28033 1 255 . 1 . 1 76 76 GLU N N 15 127.4020 0.0000 . 1 . . . . . 344 GLU N . 28033 1 stop_ save_