data_26625 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26625 _Entry.Title ; PH domain of the Arf GAP ASAP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-06 _Entry.Accession_date 2015-08-06 _Entry.Last_release_date 2015-09-29 _Entry.Original_release_date 2015-09-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone N and HN assignments for PH domain used in ligand titration experiments' _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 Yifei Li . . . . 26625 2 Andrew Byrd . . . . 26625 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Cancer Institute' . 26625 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26625 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1 26625 '15N chemical shifts' 97 26625 '1H chemical shifts' 99 26625 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 . . 2016-07-11 2015-08-06 update BMRB 'update entry citation' 26625 1 . . 2015-09-29 2015-08-06 original author 'original release' 26625 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26625 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26365802 _Citation.Full_citation . _Citation.Title ; Molecular Basis for Cooperative Binding of Anionic Phospholipids to the PH Domain of the Arf GAP ASAP1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 11 _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 1977 _Citation.Page_last 1988 _Citation.Year 2015 _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 Xiaoying Jian . . . . 26625 1 2 Wai-Kwan Tang . . . . 26625 1 3 Peng Zhai . . . . 26625 1 4 Neeladri Roy . Sekhar . . 26625 1 5 Ruibai Luo . . . . 26625 1 6 James Gruschus . M. . . 26625 1 7 Marielle Yohe . E. . . 26625 1 8 Pei-Wen Chen . . . . 26625 1 9 Yifei Li . . . . 26625 1 10 Andrew Byrd . . . . 26625 1 11 Di Xia . . . . 26625 1 12 Paul Randazzo . A. . . 26625 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26625 _Assembly.ID 1 _Assembly.Name 'ASAP1 PH domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 12698.5 _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 'ASAP1 PH domain' 1 $ASAP1_PH_domain A . yes native no no . . . 26625 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASAP1_PH_domain _Entity.Sf_category entity _Entity.Sf_framecode ASAP1_PH_domain _Entity.Entry_ID 26625 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASAP1_PH_domain _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 ; EKKGFLLKKSDGIRKVWQRR KCAVKNGILTISHATSNRQP AKLNLLTCQVKPNAEDKKSF DLISHNRTYHFQAEDEQDYI AWISVLTNSKEEALTMAFRG EQSTGENSLED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residue numbering begins at 341' _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 111 _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 1 341 GLU . 26625 1 2 342 LYS . 26625 1 3 343 LYS . 26625 1 4 344 GLY . 26625 1 5 345 PHE . 26625 1 6 346 LEU . 26625 1 7 347 LEU . 26625 1 8 348 LYS . 26625 1 9 349 LYS . 26625 1 10 350 SER . 26625 1 11 351 ASP . 26625 1 12 352 GLY . 26625 1 13 353 ILE . 26625 1 14 354 ARG . 26625 1 15 355 LYS . 26625 1 16 356 VAL . 26625 1 17 357 TRP . 26625 1 18 358 GLN . 26625 1 19 359 ARG . 26625 1 20 360 ARG . 26625 1 21 361 LYS . 26625 1 22 362 CYS . 26625 1 23 363 ALA . 26625 1 24 364 VAL . 26625 1 25 365 LYS . 26625 1 26 366 ASN . 26625 1 27 367 GLY . 26625 1 28 368 ILE . 26625 1 29 369 LEU . 26625 1 30 370 THR . 26625 1 31 371 ILE . 26625 1 32 372 SER . 26625 1 33 373 HIS . 26625 1 34 374 ALA . 26625 1 35 375 THR . 26625 1 36 376 SER . 26625 1 37 377 ASN . 26625 1 38 378 ARG . 26625 1 39 379 GLN . 26625 1 40 380 PRO . 26625 1 41 381 ALA . 26625 1 42 382 LYS . 26625 1 43 383 LEU . 26625 1 44 384 ASN . 26625 1 45 385 LEU . 26625 1 46 386 LEU . 26625 1 47 387 THR . 26625 1 48 388 CYS . 26625 1 49 389 GLN . 26625 1 50 390 VAL . 26625 1 51 391 LYS . 26625 1 52 392 PRO . 26625 1 53 393 ASN . 26625 1 54 394 ALA . 26625 1 55 395 GLU . 26625 1 56 396 ASP . 26625 1 57 397 LYS . 26625 1 58 398 LYS . 26625 1 59 399 SER . 26625 1 60 400 PHE . 26625 1 61 401 ASP . 26625 1 62 402 LEU . 26625 1 63 403 ILE . 26625 1 64 404 SER . 26625 1 65 405 HIS . 26625 1 66 406 ASN . 26625 1 67 407 ARG . 26625 1 68 408 THR . 26625 1 69 409 TYR . 26625 1 70 410 HIS . 26625 1 71 411 PHE . 26625 1 72 412 GLN . 26625 1 73 413 ALA . 26625 1 74 414 GLU . 26625 1 75 415 ASP . 26625 1 76 416 GLU . 26625 1 77 417 GLN . 26625 1 78 418 ASP . 26625 1 79 419 TYR . 26625 1 80 420 ILE . 26625 1 81 421 ALA . 26625 1 82 422 TRP . 26625 1 83 423 ILE . 26625 1 84 424 SER . 26625 1 85 425 VAL . 26625 1 86 426 LEU . 26625 1 87 427 THR . 26625 1 88 428 ASN . 26625 1 89 429 SER . 26625 1 90 430 LYS . 26625 1 91 431 GLU . 26625 1 92 432 GLU . 26625 1 93 433 ALA . 26625 1 94 434 LEU . 26625 1 95 435 THR . 26625 1 96 436 MET . 26625 1 97 437 ALA . 26625 1 98 438 PHE . 26625 1 99 439 ARG . 26625 1 100 440 GLY . 26625 1 101 441 GLU . 26625 1 102 442 GLN . 26625 1 103 443 SER . 26625 1 104 444 THR . 26625 1 105 445 GLY . 26625 1 106 446 GLU . 26625 1 107 447 ASN . 26625 1 108 448 SER . 26625 1 109 449 LEU . 26625 1 110 450 GLU . 26625 1 111 451 ASP . 26625 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 . GLU 1 1 26625 1 . LYS 2 2 26625 1 . LYS 3 3 26625 1 . GLY 4 4 26625 1 . PHE 5 5 26625 1 . LEU 6 6 26625 1 . LEU 7 7 26625 1 . LYS 8 8 26625 1 . LYS 9 9 26625 1 . SER 10 10 26625 1 . ASP 11 11 26625 1 . GLY 12 12 26625 1 . ILE 13 13 26625 1 . ARG 14 14 26625 1 . LYS 15 15 26625 1 . VAL 16 16 26625 1 . TRP 17 17 26625 1 . GLN 18 18 26625 1 . ARG 19 19 26625 1 . ARG 20 20 26625 1 . LYS 21 21 26625 1 . CYS 22 22 26625 1 . ALA 23 23 26625 1 . VAL 24 24 26625 1 . LYS 25 25 26625 1 . ASN 26 26 26625 1 . GLY 27 27 26625 1 . ILE 28 28 26625 1 . LEU 29 29 26625 1 . THR 30 30 26625 1 . ILE 31 31 26625 1 . SER 32 32 26625 1 . HIS 33 33 26625 1 . ALA 34 34 26625 1 . THR 35 35 26625 1 . SER 36 36 26625 1 . ASN 37 37 26625 1 . ARG 38 38 26625 1 . GLN 39 39 26625 1 . PRO 40 40 26625 1 . ALA 41 41 26625 1 . LYS 42 42 26625 1 . LEU 43 43 26625 1 . ASN 44 44 26625 1 . LEU 45 45 26625 1 . LEU 46 46 26625 1 . THR 47 47 26625 1 . CYS 48 48 26625 1 . GLN 49 49 26625 1 . VAL 50 50 26625 1 . LYS 51 51 26625 1 . PRO 52 52 26625 1 . ASN 53 53 26625 1 . ALA 54 54 26625 1 . GLU 55 55 26625 1 . ASP 56 56 26625 1 . LYS 57 57 26625 1 . LYS 58 58 26625 1 . SER 59 59 26625 1 . PHE 60 60 26625 1 . ASP 61 61 26625 1 . LEU 62 62 26625 1 . ILE 63 63 26625 1 . SER 64 64 26625 1 . HIS 65 65 26625 1 . ASN 66 66 26625 1 . ARG 67 67 26625 1 . THR 68 68 26625 1 . TYR 69 69 26625 1 . HIS 70 70 26625 1 . PHE 71 71 26625 1 . GLN 72 72 26625 1 . ALA 73 73 26625 1 . GLU 74 74 26625 1 . ASP 75 75 26625 1 . GLU 76 76 26625 1 . GLN 77 77 26625 1 . ASP 78 78 26625 1 . TYR 79 79 26625 1 . ILE 80 80 26625 1 . ALA 81 81 26625 1 . TRP 82 82 26625 1 . ILE 83 83 26625 1 . SER 84 84 26625 1 . VAL 85 85 26625 1 . LEU 86 86 26625 1 . THR 87 87 26625 1 . ASN 88 88 26625 1 . SER 89 89 26625 1 . LYS 90 90 26625 1 . GLU 91 91 26625 1 . GLU 92 92 26625 1 . ALA 93 93 26625 1 . LEU 94 94 26625 1 . THR 95 95 26625 1 . MET 96 96 26625 1 . ALA 97 97 26625 1 . PHE 98 98 26625 1 . ARG 99 99 26625 1 . GLY 100 100 26625 1 . GLU 101 101 26625 1 . GLN 102 102 26625 1 . SER 103 103 26625 1 . THR 104 104 26625 1 . GLY 105 105 26625 1 . GLU 106 106 26625 1 . ASN 107 107 26625 1 . SER 108 108 26625 1 . LEU 109 109 26625 1 . GLU 110 110 26625 1 . ASP 111 111 26625 1 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 26625 _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 $ASAP1_PH_domain . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'cloned into E. coli' 26625 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 26625 _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 $ASAP1_PH_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET19B . . . 26625 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26625 _Sample.ID 1 _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 'ASAP1 PH domain' '[U-99% 13C; U-99% 15N]' . . 1 $ASAP1_PH_domain . . 250 . . uM . . . . 26625 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26625 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26625 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 26625 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Tris buffer' 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' 150 . mM 26625 1 pH 7.4 . pH 26625 1 pressure 1 . atm 26625 1 temperature 298 . K 26625 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26625 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26625 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26625 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26625 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26625 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26625 2 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 26625 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26625 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 26625 _NMR_spectrometer_list.ID 1 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 . 600 . . . 26625 1 2 spectrometer_2 Bruker Avance . 850 . . . 26625 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 26625 _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 . . . . . . . . . . . . . . . . 26625 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26625 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26625 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26625 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 26625 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26625 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26625 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 26625 _Assigned_chem_shift_list.ID 1 _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' . . . 26625 1 2 '3D HNCACB' . . . 26625 1 4 '3D CBCA(CO)NH' . . . 26625 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 GLU H H 1 8.2840 . . 1 . . . . 341 GLU HN . 26625 1 2 . 1 1 1 1 GLU N N 15 122.7000 . . 1 . . . . 341 GLU N . 26625 1 3 . 1 1 2 2 LYS H H 1 7.8291 . . 1 . . . . 342 LYS HN . 26625 1 4 . 1 1 2 2 LYS N N 15 120.8000 . . 1 . . . . 342 LYS N . 26625 1 5 . 1 1 3 3 LYS H H 1 8.4700 . . 1 . . . . 343 LYS HN . 26625 1 6 . 1 1 3 3 LYS N N 15 125.0000 . . 1 . . . . 343 LYS N . 26625 1 7 . 1 1 4 4 GLY H H 1 8.9282 . . 1 . . . . 344 GLY HN . 26625 1 8 . 1 1 4 4 GLY N N 15 110.9000 . . 1 . . . . 344 GLY N . 26625 1 9 . 1 1 5 5 PHE H H 1 9.3330 . . 1 . . . . 345 PHE HN . 26625 1 10 . 1 1 6 6 LEU H H 1 8.8331 . . 1 . . . . 346 LEU HN . 26625 1 11 . 1 1 6 6 LEU N N 15 120.6000 . . 1 . . . . 346 LEU N . 26625 1 12 . 1 1 7 7 LEU H H 1 8.5645 . . 1 . . . . 347 LEU HN . 26625 1 13 . 1 1 7 7 LEU N N 15 118.8000 . . 1 . . . . 347 LEU N . 26625 1 14 . 1 1 8 8 LYS H H 1 9.5101 . . 1 . . . . 348 LYS HN . 26625 1 15 . 1 1 8 8 LYS N N 15 123.4000 . . 1 . . . . 348 LYS N . 26625 1 16 . 1 1 10 10 SER H H 1 8.9130 . . 1 . . . . 350 SER HN . 26625 1 17 . 1 1 10 10 SER N N 15 123.8000 . . 1 . . . . 350 SER N . 26625 1 18 . 1 1 12 12 GLY H H 1 7.9000 . . 1 . . . . 352 GLY HN . 26625 1 19 . 1 1 12 12 GLY N N 15 108.0000 . . 1 . . . . 352 GLY N . 26625 1 20 . 1 1 13 13 ILE H H 1 8.4255 . . 1 . . . . 353 ILE HN . 26625 1 21 . 1 1 13 13 ILE CA C 13 63.3700 . . 1 . . . . 353 ILE CA . 26625 1 22 . 1 1 14 14 ARG H H 1 8.015 . . 1 . . . . 354 ARG HN . 26625 1 23 . 1 1 14 14 ARG N N 15 120.354 . . 1 . . . . 354 ARG N . 26625 1 24 . 1 1 15 15 LYS H H 1 8.9098 . . 1 . . . . 355 LYS HN . 26625 1 25 . 1 1 15 15 LYS N N 15 124.0799 . . 1 . . . . 355 LYS N . 26625 1 26 . 1 1 16 16 VAL H H 1 8.0090 . . 1 . . . . 356 VAL HN . 26625 1 27 . 1 1 16 16 VAL N N 15 117.8000 . . 1 . . . . 356 VAL N . 26625 1 28 . 1 1 17 17 TRP H H 1 8.6461 . . 1 . . . . 357 TRP HN . 26625 1 29 . 1 1 17 17 TRP N N 15 123.9000 . . 1 . . . . 357 TRP N . 26625 1 30 . 1 1 18 18 GLN H H 1 8.6904 . . 1 . . . . 358 GLN HN . 26625 1 31 . 1 1 18 18 GLN N N 15 121.8000 . . 1 . . . . 358 GLN N . 26625 1 32 . 1 1 19 19 ARG H H 1 9.0760 . . 1 . . . . 359 ARG HN . 26625 1 33 . 1 1 19 19 ARG N N 15 126.2000 . . 1 . . . . 359 ARG N . 26625 1 34 . 1 1 20 20 ARG H H 1 9.5617 . . 1 . . . . 360 ARG HN . 26625 1 35 . 1 1 20 20 ARG N N 15 126.8000 . . 1 . . . . 360 ARG N . 26625 1 36 . 1 1 21 21 LYS H H 1 8.8436 . . 1 . . . . 361 LYS HN . 26625 1 37 . 1 1 21 21 LYS N N 15 124.5486 . . 1 . . . . 361 LYS N . 26625 1 38 . 1 1 22 22 CYS H H 1 8.8436 . . 1 . . . . 362 CYS HN . 26625 1 39 . 1 1 22 22 CYS N N 15 124.6000 . . 1 . . . . 362 CYS N . 26625 1 40 . 1 1 23 23 ALA H H 1 8.6921 . . 1 . . . . 363 ALA HN . 26625 1 41 . 1 1 23 23 ALA N N 15 123.1000 . . 1 . . . . 363 ALA N . 26625 1 42 . 1 1 24 24 VAL H H 1 9.2754 . . 1 . . . . 364 VAL HN . 26625 1 43 . 1 1 24 24 VAL N N 15 121.7362 . . 1 . . . . 364 VAL N . 26625 1 44 . 1 1 25 25 LYS H H 1 8.3026 . . 1 . . . . 365 LYS HN . 26625 1 45 . 1 1 25 25 LYS N N 15 125.9548 . . 1 . . . . 365 LYS N . 26625 1 46 . 1 1 26 26 ASN H H 1 7.7775 . . 1 . . . . 366 ASN HN . 26625 1 47 . 1 1 26 26 ASN N N 15 120.3299 . . 1 . . . . 366 ASN N . 26625 1 48 . 1 1 27 27 GLY H H 1 8.4230 . . 1 . . . . 367 GLY HN . 26625 1 49 . 1 1 27 27 GLY N N 15 102.1000 . . 1 . . . . 367 GLY N . 26625 1 50 . 1 1 28 28 ILE H H 1 7.7780 . . 1 . . . . 368 ILE HN . 26625 1 51 . 1 1 28 28 ILE N N 15 120.5000 . . 1 . . . . 368 ILE N . 26625 1 52 . 1 1 29 29 LEU H H 1 9.0210 . . 1 . . . . 369 LEU HN . 26625 1 53 . 1 1 29 29 LEU N N 15 130.4000 . . 1 . . . . 369 LEU N . 26625 1 54 . 1 1 30 30 THR H H 1 9.7350 . . 1 . . . . 370 THR HN . 26625 1 55 . 1 1 30 30 THR N N 15 123.6000 . . 1 . . . . 370 THR N . 26625 1 56 . 1 1 31 31 ILE H H 1 9.0710 . . 1 . . . . 371 ILE HN . 26625 1 57 . 1 1 31 31 ILE N N 15 126.7000 . . 1 . . . . 371 ILE N . 26625 1 58 . 1 1 32 32 SER H H 1 8.9260 . . 1 . . . . 372 SER HN . 26625 1 59 . 1 1 32 32 SER N N 15 123.5000 . . 1 . . . . 372 SER N . 26625 1 60 . 1 1 33 33 HIS H H 1 8.9800 . . 1 . . . . 373 HIS HN . 26625 1 61 . 1 1 33 33 HIS N N 15 122.8860 . . 1 . . . . 373 HIS N . 26625 1 62 . 1 1 38 38 ARG H H 1 7.6752 . . 1 . . . . 378 ARG HN . 26625 1 63 . 1 1 38 38 ARG N N 15 118.4510 . . 1 . . . . 378 ARG N . 26625 1 64 . 1 1 41 41 ALA H H 1 8.2554 . . 1 . . . . 381 ALA HN . 26625 1 65 . 1 1 41 41 ALA N N 15 123.7000 . . 1 . . . . 381 ALA N . 26625 1 66 . 1 1 42 42 LYS H H 1 8.3646 . . 1 . . . . 382 LYS HN . 26625 1 67 . 1 1 42 42 LYS N N 15 120.1000 . . 1 . . . . 382 LYS N . 26625 1 68 . 1 1 43 43 LEU H H 1 9.3384 . . 1 . . . . 383 LEU HN . 26625 1 69 . 1 1 43 43 LEU N N 15 125.0000 . . 1 . . . . 383 LEU N . 26625 1 70 . 1 1 44 44 ASN H H 1 8.9200 . . 1 . . . . 384 ASN HN . 26625 1 71 . 1 1 44 44 ASN N N 15 122.3000 . . 1 . . . . 384 ASN N . 26625 1 72 . 1 1 45 45 LEU H H 1 8.9055 . . 1 . . . . 385 LEU HN . 26625 1 73 . 1 1 45 45 LEU N N 15 127.4000 . . 1 . . . . 385 LEU N . 26625 1 74 . 1 1 46 46 LEU H H 1 8.4490 . . 1 . . . . 386 LEU HN . 26625 1 75 . 1 1 46 46 LEU N N 15 118.1000 . . 1 . . . . 386 LEU N . 26625 1 76 . 1 1 47 47 THR H H 1 7.5401 . . 1 . . . . 387 THR HN . 26625 1 77 . 1 1 47 47 THR N N 15 104.8000 . . 1 . . . . 387 THR N . 26625 1 78 . 1 1 48 48 CYS H H 1 7.3839 . . 1 . . . . 388 CYS HN . 26625 1 79 . 1 1 48 48 CYS N N 15 117.8000 . . 1 . . . . 388 CYS N . 26625 1 80 . 1 1 49 49 GLN H H 1 8.8420 . . 1 . . . . 389 GLN HN . 26625 1 81 . 1 1 49 49 GLN N N 15 120.3000 . . 1 . . . . 389 GLN N . 26625 1 82 . 1 1 50 50 VAL H H 1 8.9206 . . 1 . . . . 390 VAL HN . 26625 1 83 . 1 1 50 50 VAL N N 15 125.1000 . . 1 . . . . 390 VAL N . 26625 1 84 . 1 1 51 51 LYS H H 1 9.3730 . . 1 . . . . 391 LYS HN . 26625 1 85 . 1 1 51 51 LYS N N 15 128.7000 . . 1 . . . . 391 LYS N . 26625 1 86 . 1 1 53 53 ASN H H 1 8.4100 . . 1 . . . . 393 ASN HN . 26625 1 87 . 1 1 53 53 ASN N N 15 122.8000 . . 1 . . . . 393 ASN N . 26625 1 88 . 1 1 54 54 ALA H H 1 8.7221 . . 1 . . . . 394 ALA HN . 26625 1 89 . 1 1 54 54 ALA N N 15 126.4000 . . 1 . . . . 394 ALA N . 26625 1 90 . 1 1 55 55 GLU H H 1 8.4536 . . 1 . . . . 395 GLU HN . 26625 1 91 . 1 1 55 55 GLU N N 15 116.8000 . . 1 . . . . 395 GLU N . 26625 1 92 . 1 1 56 56 ASP H H 1 7.7629 . . 1 . . . . 396 ASP HN . 26625 1 93 . 1 1 56 56 ASP N N 15 117.8000 . . 1 . . . . 396 ASP N . 26625 1 94 . 1 1 57 57 LYS H H 1 8.1460 . . 1 . . . . 397 LYS HN . 26625 1 95 . 1 1 57 57 LYS N N 15 119.2000 . . 1 . . . . 397 LYS N . 26625 1 96 . 1 1 58 58 LYS H H 1 8.0580 . . 1 . . . . 398 LYS HN . 26625 1 97 . 1 1 58 58 LYS N N 15 113.9000 . . 1 . . . . 398 LYS N . 26625 1 98 . 1 1 59 59 SER H H 1 8.4100 . . 1 . . . . 399 SER HN . 26625 1 99 . 1 1 59 59 SER N N 15 116.9000 . . 1 . . . . 399 SER N . 26625 1 100 . 1 1 60 60 PHE H H 1 8.6372 . . 1 . . . . 400 PHE HN . 26625 1 101 . 1 1 60 60 PHE N N 15 118.0000 . . 1 . . . . 400 PHE N . 26625 1 102 . 1 1 61 61 ASP H H 1 9.0133 . . 1 . . . . 401 ASP HN . 26625 1 103 . 1 1 61 61 ASP N N 15 120.7000 . . 1 . . . . 401 ASP N . 26625 1 104 . 1 1 62 62 LEU H H 1 9.2732 . . 1 . . . . 402 LEU HN . 26625 1 105 . 1 1 62 62 LEU N N 15 121.9000 . . 1 . . . . 402 LEU N . 26625 1 106 . 1 1 63 63 ILE H H 1 9.2017 . . 1 . . . . 403 ILE HN . 26625 1 107 . 1 1 63 63 ILE N N 15 125.6000 . . 1 . . . . 403 ILE N . 26625 1 108 . 1 1 64 64 SER H H 1 8.9796 . . 1 . . . . 404 SER HN . 26625 1 109 . 1 1 64 64 SER N N 15 124.0000 . . 1 . . . . 404 SER N . 26625 1 110 . 1 1 67 67 ARG H H 1 7.7111 . . 1 . . . . 407 ARG HN . 26625 1 111 . 1 1 67 67 ARG N N 15 119.5000 . . 1 . . . . 407 ARG N . 26625 1 112 . 1 1 68 68 THR H H 1 8.2720 . . 1 . . . . 408 THR HN . 26625 1 113 . 1 1 68 68 THR N N 15 118.7000 . . 1 . . . . 408 THR N . 26625 1 114 . 1 1 69 69 TYR H H 1 9.2045 . . 1 . . . . 409 TYR HN . 26625 1 115 . 1 1 69 69 TYR N N 15 127.0000 . . 1 . . . . 409 TYR N . 26625 1 116 . 1 1 70 70 HIS H H 1 8.7110 . . 1 . . . . 410 HIS HN . 26625 1 117 . 1 1 70 70 HIS N N 15 122.6000 . . 1 . . . . 410 HIS N . 26625 1 118 . 1 1 71 71 PHE H H 1 8.8035 . . 1 . . . . 411 PHE HN . 26625 1 119 . 1 1 71 71 PHE N N 15 120.9000 . . 1 . . . . 411 PHE N . 26625 1 120 . 1 1 72 72 GLN H H 1 9.1113 . . 1 . . . . 412 GLN HN . 26625 1 121 . 1 1 72 72 GLN N N 15 119.6000 . . 1 . . . . 412 GLN N . 26625 1 122 . 1 1 73 73 ALA H H 1 8.9173 . . 1 . . . . 413 ALA HN . 26625 1 123 . 1 1 73 73 ALA N N 15 127.1000 . . 1 . . . . 413 ALA N . 26625 1 124 . 1 1 74 74 GLU H H 1 9.9643 . . 1 . . . . 414 GLU HN . 26625 1 125 . 1 1 74 74 GLU N N 15 118.1000 . . 1 . . . . 414 GLU N . 26625 1 126 . 1 1 75 75 ASP H H 1 7.5972 . . 1 . . . . 415 ASP HN . 26625 1 127 . 1 1 75 75 ASP N N 15 111.3000 . . 1 . . . . 415 ASP N . 26625 1 128 . 1 1 76 76 GLU H H 1 9.1100 . . 1 . . . . 416 GLU HN . 26625 1 129 . 1 1 76 76 GLU N N 15 120.0000 . . 1 . . . . 416 GLU N . 26625 1 130 . 1 1 77 77 GLN H H 1 8.4545 . . 1 . . . . 417 GLN HN . 26625 1 131 . 1 1 77 77 GLN N N 15 119.8000 . . 1 . . . . 417 GLN N . 26625 1 132 . 1 1 78 78 ASP H H 1 9.1270 . . 1 . . . . 418 ASP HN . 26625 1 133 . 1 1 78 78 ASP N N 15 122.7000 . . 1 . . . . 418 ASP N . 26625 1 134 . 1 1 79 79 TYR H H 1 8.2835 . . 1 . . . . 419 TYR HN . 26625 1 135 . 1 1 79 79 TYR N N 15 120.1000 . . 1 . . . . 419 TYR N . 26625 1 136 . 1 1 80 80 ILE H H 1 7.7837 . . 9 . . . . 420 ILE HN . 26625 1 137 . 1 1 80 80 ILE N N 15 118.4000 . . 9 . . . . 420 ILE N . 26625 1 138 . 1 1 81 81 ALA H H 1 7.7467 . . 1 . . . . 421 ALA HN . 26625 1 139 . 1 1 81 81 ALA N N 15 122.5000 . . 1 . . . . 421 ALA N . 26625 1 140 . 1 1 82 82 TRP H H 1 8.7510 . . 1 . . . . 422 TRP HN . 26625 1 141 . 1 1 82 82 TRP N N 15 118.8000 . . 1 . . . . 422 TRP N . 26625 1 142 . 1 1 83 83 ILE H H 1 8.3350 . . 1 . . . . 423 ILE HN . 26625 1 143 . 1 1 83 83 ILE N N 15 117.8000 . . 1 . . . . 423 ILE N . 26625 1 144 . 1 1 84 84 SER H H 1 8.0174 . . 1 . . . . 424 SER HN . 26625 1 145 . 1 1 84 84 SER N N 15 116.5000 . . 1 . . . . 424 SER N . 26625 1 146 . 1 1 85 85 VAL H H 1 7.9547 . . 9 . . . . 425 VAL HN . 26625 1 147 . 1 1 85 85 VAL N N 15 120.5000 . . 9 . . . . 425 VAL N . 26625 1 148 . 1 1 86 86 LEU H H 1 8.5642 . . 1 . . . . 426 LEU HN . 26625 1 149 . 1 1 86 86 LEU N N 15 121.6000 . . 1 . . . . 426 LEU N . 26625 1 150 . 1 1 87 87 THR H H 1 7.8700 . . 1 . . . . 427 THR HN . 26625 1 151 . 1 1 87 87 THR N N 15 112.7000 . . 1 . . . . 427 THR N . 26625 1 152 . 1 1 88 88 ASN H H 1 8.4300 . . 1 . . . . 428 ASN HN . 26625 1 153 . 1 1 88 88 ASN N N 15 121.2000 . . 1 . . . . 428 ASN N . 26625 1 154 . 1 1 89 89 SER H H 1 8.6430 . . 1 . . . . 429 SER HN . 26625 1 155 . 1 1 89 89 SER N N 15 115.5000 . . 1 . . . . 429 SER N . 26625 1 156 . 1 1 90 90 LYS H H 1 7.7448 . . 1 . . . . 430 LYS HN . 26625 1 157 . 1 1 90 90 LYS N N 15 119.7000 . . 1 . . . . 430 LYS N . 26625 1 158 . 1 1 91 91 GLU H H 1 7.7880 . . 9 . . . . 431 GLU HN . 26625 1 159 . 1 1 91 91 GLU N N 15 118.5000 . . 9 . . . . 431 GLU N . 26625 1 160 . 1 1 92 92 GLU H H 1 8.4240 . . 1 . . . . 432 GLU HN . 26625 1 161 . 1 1 92 92 GLU N N 15 120.6000 . . 1 . . . . 432 GLU N . 26625 1 162 . 1 1 93 93 ALA H H 1 8.2220 . . 1 . . . . 433 ALA HN . 26625 1 163 . 1 1 93 93 ALA N N 15 122.6000 . . 1 . . . . 433 ALA N . 26625 1 164 . 1 1 94 94 LEU H H 1 8.1114 . . 1 . . . . 434 LEU HN . 26625 1 165 . 1 1 94 94 LEU N N 15 119.8000 . . 1 . . . . 434 LEU N . 26625 1 166 . 1 1 95 95 THR H H 1 7.9433 . . 1 . . . . 435 THR HN . 26625 1 167 . 1 1 95 95 THR N N 15 112.9000 . . 1 . . . . 435 THR N . 26625 1 168 . 1 1 96 96 MET H H 1 7.9487 . . 9 . . . . 436 MET HN . 26625 1 169 . 1 1 96 96 MET N N 15 120.5000 . . 9 . . . . 436 MET N . 26625 1 170 . 1 1 97 97 ALA H H 1 8.0190 . . 1 . . . . 437 ALA HN . 26625 1 171 . 1 1 97 97 ALA N N 15 123.1000 . . 1 . . . . 437 ALA N . 26625 1 172 . 1 1 98 98 PHE H H 1 8.0770 . . 1 . . . . 438 PHE HN . 26625 1 173 . 1 1 98 98 PHE N N 15 118.5000 . . 1 . . . . 438 PHE N . 26625 1 174 . 1 1 99 99 ARG H H 1 8.0906 . . 1 . . . . 439 ARG HN . 26625 1 175 . 1 1 99 99 ARG N N 15 121.6000 . . 1 . . . . 439 ARG N . 26625 1 176 . 1 1 100 100 GLY H H 1 7.9159 . . 1 . . . . 440 GLY HN . 26625 1 177 . 1 1 100 100 GLY N N 15 108.7000 . . 1 . . . . 440 GLY N . 26625 1 178 . 1 1 101 101 GLU H H 1 8.3087 . . 1 . . . . 441 GLU HN . 26625 1 179 . 1 1 101 101 GLU N N 15 120.6000 . . 1 . . . . 441 GLU N . 26625 1 180 . 1 1 102 102 GLN H H 1 8.4650 . . 1 . . . . 442 GLN HN . 26625 1 181 . 1 1 102 102 GLN N N 15 121.1000 . . 1 . . . . 442 GLN N . 26625 1 182 . 1 1 104 104 THR H H 1 8.3060 . . 1 . . . . 444 THR HN . 26625 1 183 . 1 1 104 104 THR N N 15 115.3000 . . 1 . . . . 444 THR N . 26625 1 184 . 1 1 105 105 GLY H H 1 8.4130 . . 1 . . . . 445 GLY HN . 26625 1 185 . 1 1 105 105 GLY N N 15 110.8000 . . 1 . . . . 445 GLY N . 26625 1 186 . 1 1 106 106 GLU H H 1 8.3510 . . 1 . . . . 446 GLU HN . 26625 1 187 . 1 1 106 106 GLU N N 15 120.6000 . . 1 . . . . 446 GLU N . 26625 1 188 . 1 1 107 107 ASN H H 1 8.5643 . . 1 . . . . 447 ASN HN . 26625 1 189 . 1 1 107 107 ASN N N 15 118.9237 . . 1 . . . . 447 ASN N . 26625 1 190 . 1 1 108 108 SER H H 1 8.3360 . . 1 . . . . 448 SER HN . 26625 1 191 . 1 1 108 108 SER N N 15 116.5000 . . 1 . . . . 448 SER N . 26625 1 192 . 1 1 109 109 LEU H H 1 8.3154 . . 1 . . . . 449 LEU HN . 26625 1 193 . 1 1 109 109 LEU N N 15 123.8000 . . 1 . . . . 449 LEU N . 26625 1 194 . 1 1 110 110 GLU H H 1 8.3230 . . 1 . . . . 450 GLU HN . 26625 1 195 . 1 1 110 110 GLU N N 15 121.5000 . . 1 . . . . 450 GLU N . 26625 1 196 . 1 1 111 111 ASP H H 1 7.9704 . . 1 . . . . 451 ASP HN . 26625 1 197 . 1 1 111 111 ASP N N 15 126.9000 . . 1 . . . . 451 ASP N . 26625 1 stop_ save_