data_27834 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27834 _Entry.Title ; Sequence Specific Assignment of OSR1 C-terminal Domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-12 _Entry.Accession_date 2019-03-12 _Entry.Last_release_date 2019-03-12 _Entry.Original_release_date 2019-03-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Mubarak AlAmri . A. . . 27834 2 Mark Jeeves . . . . 27834 3 Youcef Mehellou . . . . 27834 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'HWB-NMR, University of Birmingham' . 27834 2 . 'Mehellou Group, Cardiff University' . 27834 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27834 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 27834 '15N chemical shifts' 80 27834 '1H chemical shifts' 80 27834 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-05-22 . original BMRB . 27834 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27834 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30894278 _Citation.Full_citation . _Citation.Title ; Sequence Specific Assignment and Determination of OSR1 C-terminal Domain Structure by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 512 _Citation.Journal_issue 2 _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 338 _Citation.Page_last 343 _Citation.Year 2019 _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 Mubarak AlAmri . A. . . 27834 1 2 Mark Jeeves . . . . 27834 1 3 Youcef Mehellou . . . . 27834 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignment 27834 1 Kinase 27834 1 NMR 27834 1 OSR1 27834 1 SPAK 27834 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27834 _Assembly.ID 1 _Assembly.Name 'OSR1 C-terminal 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 . _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 'C-terminal Domain' 1 $OSR1 A . yes native no no . . . 27834 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OSR1 _Entity.Sf_category entity _Entity.Sf_framecode OSR1 _Entity.Entry_ID 27834 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OSR1 _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 ; PISLVLRLRNSKKELNDIRF EFTPGRDTAEGVSQELISAG LVDGRDLVIVAANLQKIVEE PQSNRSVTFKLASGVEGSDI PDDGKLIGFAQLSIS ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal Domain' _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 1 433 PRO . 27834 1 2 434 ILE . 27834 1 3 435 SER . 27834 1 4 436 LEU . 27834 1 5 437 VAL . 27834 1 6 438 LEU . 27834 1 7 439 ARG . 27834 1 8 440 LEU . 27834 1 9 441 ARG . 27834 1 10 442 ASN . 27834 1 11 443 SER . 27834 1 12 444 LYS . 27834 1 13 445 LYS . 27834 1 14 446 GLU . 27834 1 15 447 LEU . 27834 1 16 448 ASN . 27834 1 17 449 ASP . 27834 1 18 450 ILE . 27834 1 19 451 ARG . 27834 1 20 452 PHE . 27834 1 21 453 GLU . 27834 1 22 454 PHE . 27834 1 23 455 THR . 27834 1 24 456 PRO . 27834 1 25 457 GLY . 27834 1 26 458 ARG . 27834 1 27 459 ASP . 27834 1 28 460 THR . 27834 1 29 461 ALA . 27834 1 30 462 GLU . 27834 1 31 463 GLY . 27834 1 32 464 VAL . 27834 1 33 465 SER . 27834 1 34 466 GLN . 27834 1 35 467 GLU . 27834 1 36 468 LEU . 27834 1 37 469 ILE . 27834 1 38 470 SER . 27834 1 39 471 ALA . 27834 1 40 472 GLY . 27834 1 41 473 LEU . 27834 1 42 474 VAL . 27834 1 43 475 ASP . 27834 1 44 476 GLY . 27834 1 45 477 ARG . 27834 1 46 478 ASP . 27834 1 47 479 LEU . 27834 1 48 480 VAL . 27834 1 49 481 ILE . 27834 1 50 482 VAL . 27834 1 51 483 ALA . 27834 1 52 484 ALA . 27834 1 53 485 ASN . 27834 1 54 486 LEU . 27834 1 55 487 GLN . 27834 1 56 488 LYS . 27834 1 57 489 ILE . 27834 1 58 490 VAL . 27834 1 59 491 GLU . 27834 1 60 492 GLU . 27834 1 61 493 PRO . 27834 1 62 494 GLN . 27834 1 63 495 SER . 27834 1 64 496 ASN . 27834 1 65 497 ARG . 27834 1 66 498 SER . 27834 1 67 499 VAL . 27834 1 68 500 THR . 27834 1 69 501 PHE . 27834 1 70 502 LYS . 27834 1 71 503 LEU . 27834 1 72 504 ALA . 27834 1 73 505 SER . 27834 1 74 506 GLY . 27834 1 75 507 VAL . 27834 1 76 508 GLU . 27834 1 77 509 GLY . 27834 1 78 510 SER . 27834 1 79 511 ASP . 27834 1 80 512 ILE . 27834 1 81 513 PRO . 27834 1 82 514 ASP . 27834 1 83 515 ASP . 27834 1 84 516 GLY . 27834 1 85 517 LYS . 27834 1 86 518 LEU . 27834 1 87 519 ILE . 27834 1 88 520 GLY . 27834 1 89 521 PHE . 27834 1 90 522 ALA . 27834 1 91 523 GLN . 27834 1 92 524 LEU . 27834 1 93 525 SER . 27834 1 94 526 ILE . 27834 1 95 527 SER . 27834 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 . PRO 1 1 27834 1 . ILE 2 2 27834 1 . SER 3 3 27834 1 . LEU 4 4 27834 1 . VAL 5 5 27834 1 . LEU 6 6 27834 1 . ARG 7 7 27834 1 . LEU 8 8 27834 1 . ARG 9 9 27834 1 . ASN 10 10 27834 1 . SER 11 11 27834 1 . LYS 12 12 27834 1 . LYS 13 13 27834 1 . GLU 14 14 27834 1 . LEU 15 15 27834 1 . ASN 16 16 27834 1 . ASP 17 17 27834 1 . ILE 18 18 27834 1 . ARG 19 19 27834 1 . PHE 20 20 27834 1 . GLU 21 21 27834 1 . PHE 22 22 27834 1 . THR 23 23 27834 1 . PRO 24 24 27834 1 . GLY 25 25 27834 1 . ARG 26 26 27834 1 . ASP 27 27 27834 1 . THR 28 28 27834 1 . ALA 29 29 27834 1 . GLU 30 30 27834 1 . GLY 31 31 27834 1 . VAL 32 32 27834 1 . SER 33 33 27834 1 . GLN 34 34 27834 1 . GLU 35 35 27834 1 . LEU 36 36 27834 1 . ILE 37 37 27834 1 . SER 38 38 27834 1 . ALA 39 39 27834 1 . GLY 40 40 27834 1 . LEU 41 41 27834 1 . VAL 42 42 27834 1 . ASP 43 43 27834 1 . GLY 44 44 27834 1 . ARG 45 45 27834 1 . ASP 46 46 27834 1 . LEU 47 47 27834 1 . VAL 48 48 27834 1 . ILE 49 49 27834 1 . VAL 50 50 27834 1 . ALA 51 51 27834 1 . ALA 52 52 27834 1 . ASN 53 53 27834 1 . LEU 54 54 27834 1 . GLN 55 55 27834 1 . LYS 56 56 27834 1 . ILE 57 57 27834 1 . VAL 58 58 27834 1 . GLU 59 59 27834 1 . GLU 60 60 27834 1 . PRO 61 61 27834 1 . GLN 62 62 27834 1 . SER 63 63 27834 1 . ASN 64 64 27834 1 . ARG 65 65 27834 1 . SER 66 66 27834 1 . VAL 67 67 27834 1 . THR 68 68 27834 1 . PHE 69 69 27834 1 . LYS 70 70 27834 1 . LEU 71 71 27834 1 . ALA 72 72 27834 1 . SER 73 73 27834 1 . GLY 74 74 27834 1 . VAL 75 75 27834 1 . GLU 76 76 27834 1 . GLY 77 77 27834 1 . SER 78 78 27834 1 . ASP 79 79 27834 1 . ILE 80 80 27834 1 . PRO 81 81 27834 1 . ASP 82 82 27834 1 . ASP 83 83 27834 1 . GLY 84 84 27834 1 . LYS 85 85 27834 1 . LEU 86 86 27834 1 . ILE 87 87 27834 1 . GLY 88 88 27834 1 . PHE 89 89 27834 1 . ALA 90 90 27834 1 . GLN 91 91 27834 1 . LEU 92 92 27834 1 . SER 93 93 27834 1 . ILE 94 94 27834 1 . SER 95 95 27834 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 27834 _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 $OSR1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27834 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 27834 _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 $OSR1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pGEX-6P-1 . . . 27834 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27834 _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 OSR1 '[U-100% 13C; U-100% 15N]' . . 1 $OSR1 . . 0.2 . . mM . . . . 27834 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 27834 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27834 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27834 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 27834 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 27834 1 pressure 1 . atm 27834 1 temperature 298 . K 27834 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27834 _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' . . 27834 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27834 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27834 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27834 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27834 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27834 _Software.ID 3 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'ranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides, Laue' . . 27834 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27834 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 27834 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27834 _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 . . . 27834 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 27834 _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 . . . . . . . . . . . . . . . . 27834 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27834 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27834 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27834 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27834 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27834 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27834 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 27834 _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 C 13 water protons . . . . ppm 4.8 internal indirect 0.251449530 . . . . . 27834 1 H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . 27834 1 N 15 water protons . . . . ppm 4.8 internal indirect 0.101329118 . . . . . 27834 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 27834 _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' . . . 27834 1 2 '3D HNCO' . . . 27834 1 3 '3D HNCA' . . . 27834 1 4 '3D HNCACB' . . . 27834 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.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 2 2 ILE C C 13 171.902 0.000 . 1 . . . . . 2 ILE C . 27834 1 2 . 1 1 2 2 ILE CA C 13 50.401 0.036 . 1 . . . . . 2 ILE CA . 27834 1 3 . 1 1 2 2 ILE CB C 13 44.245 0.000 . 1 . . . . . 2 ILE CB . 27834 1 4 . 1 1 3 3 SER H H 1 8.915 0.005 . 1 . . . . . 3 SER H . 27834 1 5 . 1 1 3 3 SER C C 13 169.832 0.035 . 1 . . . . . 3 SER C . 27834 1 6 . 1 1 3 3 SER CA C 13 53.960 0.126 . 1 . . . . . 3 SER CA . 27834 1 7 . 1 1 3 3 SER CB C 13 63.520 0.071 . 1 . . . . . 3 SER CB . 27834 1 8 . 1 1 3 3 SER N N 15 116.951 0.062 . 1 . . . . . 3 SER N . 27834 1 9 . 1 1 4 4 LEU H H 1 8.111 0.003 . 1 . . . . . 4 LEU H . 27834 1 10 . 1 1 4 4 LEU C C 13 173.676 0.000 . 1 . . . . . 4 LEU C . 27834 1 11 . 1 1 4 4 LEU CA C 13 58.137 0.151 . 1 . . . . . 4 LEU CA . 27834 1 12 . 1 1 4 4 LEU CB C 13 36.049 0.000 . 1 . . . . . 4 LEU CB . 27834 1 13 . 1 1 4 4 LEU N N 15 121.891 0.060 . 1 . . . . . 4 LEU N . 27834 1 14 . 1 1 6 6 LEU H H 1 8.508 0.002 . 1 . . . . . 6 LEU H . 27834 1 15 . 1 1 6 6 LEU C C 13 173.364 0.000 . 1 . . . . . 6 LEU C . 27834 1 16 . 1 1 6 6 LEU CA C 13 51.238 0.052 . 1 . . . . . 6 LEU CA . 27834 1 17 . 1 1 6 6 LEU CB C 13 42.819 0.034 . 1 . . . . . 6 LEU CB . 27834 1 18 . 1 1 6 6 LEU N N 15 126.054 0.036 . 1 . . . . . 6 LEU N . 27834 1 19 . 1 1 7 7 ARG H H 1 8.515 0.005 . 1 . . . . . 7 ARG H . 27834 1 20 . 1 1 7 7 ARG C C 13 171.807 0.048 . 1 . . . . . 7 ARG C . 27834 1 21 . 1 1 7 7 ARG CA C 13 57.956 0.067 . 1 . . . . . 7 ARG CA . 27834 1 22 . 1 1 7 7 ARG CB C 13 31.913 0.000 . 1 . . . . . 7 ARG CB . 27834 1 23 . 1 1 7 7 ARG N N 15 118.271 0.059 . 1 . . . . . 7 ARG N . 27834 1 24 . 1 1 8 8 LEU H H 1 9.496 0.009 . 1 . . . . . 8 LEU H . 27834 1 25 . 1 1 8 8 LEU C C 13 170.693 0.000 . 1 . . . . . 8 LEU C . 27834 1 26 . 1 1 8 8 LEU CA C 13 50.127 0.096 . 1 . . . . . 8 LEU CA . 27834 1 27 . 1 1 8 8 LEU CB C 13 42.326 0.034 . 1 . . . . . 8 LEU CB . 27834 1 28 . 1 1 8 8 LEU N N 15 131.217 0.075 . 1 . . . . . 8 LEU N . 27834 1 29 . 1 1 9 9 ARG H H 1 9.587 0.006 . 1 . . . . . 9 ARG H . 27834 1 30 . 1 1 9 9 ARG C C 13 171.735 0.046 . 1 . . . . . 9 ARG C . 27834 1 31 . 1 1 9 9 ARG CA C 13 51.883 0.083 . 1 . . . . . 9 ARG CA . 27834 1 32 . 1 1 9 9 ARG N N 15 128.985 0.051 . 1 . . . . . 9 ARG N . 27834 1 33 . 1 1 10 10 ASN H H 1 8.322 0.005 . 1 . . . . . 10 ASN H . 27834 1 34 . 1 1 10 10 ASN C C 13 172.382 0.000 . 1 . . . . . 10 ASN C . 27834 1 35 . 1 1 10 10 ASN CA C 13 51.704 0.000 . 1 . . . . . 10 ASN CA . 27834 1 36 . 1 1 10 10 ASN CB C 13 40.752 0.000 . 1 . . . . . 10 ASN CB . 27834 1 37 . 1 1 10 10 ASN N N 15 120.645 0.095 . 1 . . . . . 10 ASN N . 27834 1 38 . 1 1 11 11 SER C C 13 172.815 0.000 . 1 . . . . . 11 SER C . 27834 1 39 . 1 1 11 11 SER CA C 13 58.495 0.000 . 1 . . . . . 11 SER CA . 27834 1 40 . 1 1 11 11 SER CB C 13 59.955 0.000 . 1 . . . . . 11 SER CB . 27834 1 41 . 1 1 12 12 LYS H H 1 7.442 0.003 . 1 . . . . . 12 LYS H . 27834 1 42 . 1 1 12 12 LYS C C 13 172.746 0.027 . 1 . . . . . 12 LYS C . 27834 1 43 . 1 1 12 12 LYS CA C 13 53.022 0.073 . 1 . . . . . 12 LYS CA . 27834 1 44 . 1 1 12 12 LYS CB C 13 29.137 0.141 . 1 . . . . . 12 LYS CB . 27834 1 45 . 1 1 12 12 LYS N N 15 121.322 0.051 . 1 . . . . . 12 LYS N . 27834 1 46 . 1 1 13 13 LYS H H 1 8.257 0.005 . 1 . . . . . 13 LYS H . 27834 1 47 . 1 1 13 13 LYS C C 13 172.640 0.035 . 1 . . . . . 13 LYS C . 27834 1 48 . 1 1 13 13 LYS CA C 13 55.608 0.151 . 1 . . . . . 13 LYS CA . 27834 1 49 . 1 1 13 13 LYS CB C 13 26.444 0.034 . 1 . . . . . 13 LYS CB . 27834 1 50 . 1 1 13 13 LYS N N 15 112.450 0.077 . 1 . . . . . 13 LYS N . 27834 1 51 . 1 1 14 14 GLU H H 1 7.811 0.005 . 1 . . . . . 14 GLU H . 27834 1 52 . 1 1 14 14 GLU C C 13 173.398 0.042 . 1 . . . . . 14 GLU C . 27834 1 53 . 1 1 14 14 GLU CA C 13 52.312 0.096 . 1 . . . . . 14 GLU CA . 27834 1 54 . 1 1 14 14 GLU CB C 13 27.385 0.020 . 1 . . . . . 14 GLU CB . 27834 1 55 . 1 1 14 14 GLU N N 15 121.064 0.064 . 1 . . . . . 14 GLU N . 27834 1 56 . 1 1 15 15 LEU H H 1 8.653 0.005 . 1 . . . . . 15 LEU H . 27834 1 57 . 1 1 15 15 LEU C C 13 173.309 0.028 . 1 . . . . . 15 LEU C . 27834 1 58 . 1 1 15 15 LEU CA C 13 52.664 0.042 . 1 . . . . . 15 LEU CA . 27834 1 59 . 1 1 15 15 LEU CB C 13 40.078 0.038 . 1 . . . . . 15 LEU CB . 27834 1 60 . 1 1 15 15 LEU N N 15 125.574 0.074 . 1 . . . . . 15 LEU N . 27834 1 61 . 1 1 16 16 ASN H H 1 8.709 0.004 . 1 . . . . . 16 ASN H . 27834 1 62 . 1 1 16 16 ASN C C 13 169.137 0.000 . 1 . . . . . 16 ASN C . 27834 1 63 . 1 1 16 16 ASN CA C 13 49.754 0.078 . 1 . . . . . 16 ASN CA . 27834 1 64 . 1 1 16 16 ASN CB C 13 39.771 0.048 . 1 . . . . . 16 ASN CB . 27834 1 65 . 1 1 16 16 ASN N N 15 123.763 0.081 . 1 . . . . . 16 ASN N . 27834 1 66 . 1 1 17 17 ASP H H 1 8.152 0.005 . 1 . . . . . 17 ASP H . 27834 1 67 . 1 1 17 17 ASP C C 13 172.632 0.031 . 1 . . . . . 17 ASP C . 27834 1 68 . 1 1 17 17 ASP CA C 13 50.507 0.126 . 1 . . . . . 17 ASP CA . 27834 1 69 . 1 1 17 17 ASP CB C 13 39.073 0.193 . 1 . . . . . 17 ASP CB . 27834 1 70 . 1 1 17 17 ASP N N 15 120.320 0.059 . 1 . . . . . 17 ASP N . 27834 1 71 . 1 1 18 18 ILE H H 1 9.426 0.006 . 1 . . . . . 18 ILE H . 27834 1 72 . 1 1 18 18 ILE C C 13 172.043 0.047 . 1 . . . . . 18 ILE C . 27834 1 73 . 1 1 18 18 ILE CA C 13 58.003 0.153 . 1 . . . . . 18 ILE CA . 27834 1 74 . 1 1 18 18 ILE CB C 13 36.384 0.000 . 1 . . . . . 18 ILE CB . 27834 1 75 . 1 1 18 18 ILE N N 15 127.033 0.053 . 1 . . . . . 18 ILE N . 27834 1 76 . 1 1 19 19 ARG H H 1 8.570 0.003 . 1 . . . . . 19 ARG H . 27834 1 77 . 1 1 19 19 ARG C C 13 173.260 0.000 . 1 . . . . . 19 ARG C . 27834 1 78 . 1 1 19 19 ARG CA C 13 52.422 0.014 . 1 . . . . . 19 ARG CA . 27834 1 79 . 1 1 19 19 ARG CB C 13 28.389 0.063 . 1 . . . . . 19 ARG CB . 27834 1 80 . 1 1 19 19 ARG N N 15 127.829 0.084 . 1 . . . . . 19 ARG N . 27834 1 81 . 1 1 20 20 PHE H H 1 8.450 0.005 . 1 . . . . . 20 PHE H . 27834 1 82 . 1 1 20 20 PHE C C 13 168.786 0.024 . 1 . . . . . 20 PHE C . 27834 1 83 . 1 1 20 20 PHE CA C 13 53.299 0.151 . 1 . . . . . 20 PHE CA . 27834 1 84 . 1 1 20 20 PHE CB C 13 36.777 0.141 . 1 . . . . . 20 PHE CB . 27834 1 85 . 1 1 20 20 PHE N N 15 120.605 0.059 . 1 . . . . . 20 PHE N . 27834 1 86 . 1 1 21 21 GLU H H 1 8.310 0.005 . 1 . . . . . 21 GLU H . 27834 1 87 . 1 1 21 21 GLU C C 13 172.416 0.000 . 1 . . . . . 21 GLU C . 27834 1 88 . 1 1 21 21 GLU CA C 13 51.706 0.000 . 1 . . . . . 21 GLU CA . 27834 1 89 . 1 1 21 21 GLU CB C 13 30.864 0.005 . 1 . . . . . 21 GLU CB . 27834 1 90 . 1 1 21 21 GLU N N 15 118.099 0.067 . 1 . . . . . 21 GLU N . 27834 1 91 . 1 1 22 22 PHE H H 1 8.848 0.006 . 1 . . . . . 22 PHE H . 27834 1 92 . 1 1 22 22 PHE C C 13 172.144 0.000 . 1 . . . . . 22 PHE C . 27834 1 93 . 1 1 22 22 PHE CA C 13 54.184 0.023 . 1 . . . . . 22 PHE CA . 27834 1 94 . 1 1 22 22 PHE CB C 13 41.920 0.061 . 1 . . . . . 22 PHE CB . 27834 1 95 . 1 1 22 22 PHE N N 15 122.197 0.075 . 1 . . . . . 22 PHE N . 27834 1 96 . 1 1 23 23 THR H H 1 9.986 0.004 . 1 . . . . . 23 THR H . 27834 1 97 . 1 1 23 23 THR C C 13 169.197 0.000 . 1 . . . . . 23 THR C . 27834 1 98 . 1 1 23 23 THR CA C 13 57.353 0.000 . 1 . . . . . 23 THR CA . 27834 1 99 . 1 1 23 23 THR CB C 13 66.352 0.000 . 1 . . . . . 23 THR CB . 27834 1 100 . 1 1 23 23 THR N N 15 128.993 0.051 . 1 . . . . . 23 THR N . 27834 1 101 . 1 1 25 25 GLY C C 13 170.530 0.000 . 1 . . . . . 25 GLY C . 27834 1 102 . 1 1 25 25 GLY CA C 13 42.661 0.043 . 1 . . . . . 25 GLY CA . 27834 1 103 . 1 1 26 26 ARG H H 1 7.447 0.006 . 1 . . . . . 26 ARG H . 27834 1 104 . 1 1 26 26 ARG C C 13 173.015 0.037 . 1 . . . . . 26 ARG C . 27834 1 105 . 1 1 26 26 ARG CA C 13 54.305 0.092 . 1 . . . . . 26 ARG CA . 27834 1 106 . 1 1 26 26 ARG CB C 13 29.955 0.036 . 1 . . . . . 26 ARG CB . 27834 1 107 . 1 1 26 26 ARG N N 15 119.501 0.063 . 1 . . . . . 26 ARG N . 27834 1 108 . 1 1 27 27 ASP H H 1 7.573 0.007 . 1 . . . . . 27 ASP H . 27834 1 109 . 1 1 27 27 ASP C C 13 172.126 0.087 . 1 . . . . . 27 ASP C . 27834 1 110 . 1 1 27 27 ASP CA C 13 51.296 0.051 . 1 . . . . . 27 ASP CA . 27834 1 111 . 1 1 27 27 ASP CB C 13 39.987 0.083 . 1 . . . . . 27 ASP CB . 27834 1 112 . 1 1 27 27 ASP N N 15 117.912 0.054 . 1 . . . . . 27 ASP N . 27834 1 113 . 1 1 28 28 THR H H 1 8.241 0.006 . 1 . . . . . 28 THR H . 27834 1 114 . 1 1 28 28 THR C C 13 172.061 0.000 . 1 . . . . . 28 THR C . 27834 1 115 . 1 1 28 28 THR CA C 13 56.005 0.000 . 1 . . . . . 28 THR CA . 27834 1 116 . 1 1 28 28 THR CB C 13 69.213 0.000 . 1 . . . . . 28 THR CB . 27834 1 117 . 1 1 28 28 THR N N 15 107.164 0.092 . 1 . . . . . 28 THR N . 27834 1 118 . 1 1 29 29 ALA C C 13 177.568 0.000 . 1 . . . . . 29 ALA C . 27834 1 119 . 1 1 29 29 ALA CA C 13 53.000 0.047 . 1 . . . . . 29 ALA CA . 27834 1 120 . 1 1 29 29 ALA CB C 13 15.582 0.022 . 1 . . . . . 29 ALA CB . 27834 1 121 . 1 1 30 30 GLU H H 1 9.391 0.005 . 1 . . . . . 30 GLU H . 27834 1 122 . 1 1 30 30 GLU C C 13 175.158 0.000 . 1 . . . . . 30 GLU C . 27834 1 123 . 1 1 30 30 GLU CA C 13 57.731 0.036 . 1 . . . . . 30 GLU CA . 27834 1 124 . 1 1 30 30 GLU CB C 13 26.293 0.043 . 1 . . . . . 30 GLU CB . 27834 1 125 . 1 1 30 30 GLU N N 15 118.572 0.041 . 1 . . . . . 30 GLU N . 27834 1 126 . 1 1 31 31 GLY H H 1 8.093 0.006 . 1 . . . . . 31 GLY H . 27834 1 127 . 1 1 31 31 GLY C C 13 174.459 0.071 . 1 . . . . . 31 GLY C . 27834 1 128 . 1 1 31 31 GLY CA C 13 44.209 0.067 . 1 . . . . . 31 GLY CA . 27834 1 129 . 1 1 31 31 GLY N N 15 109.781 0.071 . 1 . . . . . 31 GLY N . 27834 1 130 . 1 1 32 32 VAL H H 1 8.278 0.008 . 1 . . . . . 32 VAL H . 27834 1 131 . 1 1 32 32 VAL C C 13 175.277 0.046 . 1 . . . . . 32 VAL C . 27834 1 132 . 1 1 32 32 VAL CA C 13 63.403 0.074 . 1 . . . . . 32 VAL CA . 27834 1 133 . 1 1 32 32 VAL CB C 13 29.124 0.073 . 1 . . . . . 32 VAL CB . 27834 1 134 . 1 1 32 32 VAL N N 15 122.825 0.065 . 1 . . . . . 32 VAL N . 27834 1 135 . 1 1 33 33 SER H H 1 7.652 0.002 . 1 . . . . . 33 SER H . 27834 1 136 . 1 1 33 33 SER C C 13 173.234 0.000 . 1 . . . . . 33 SER C . 27834 1 137 . 1 1 33 33 SER CA C 13 60.569 0.103 . 1 . . . . . 33 SER CA . 27834 1 138 . 1 1 33 33 SER N N 15 114.699 0.039 . 1 . . . . . 33 SER N . 27834 1 139 . 1 1 34 34 GLN H H 1 8.152 0.006 . 1 . . . . . 34 GLN H . 27834 1 140 . 1 1 34 34 GLN C C 13 175.896 0.056 . 1 . . . . . 34 GLN C . 27834 1 141 . 1 1 34 34 GLN CA C 13 56.107 0.047 . 1 . . . . . 34 GLN CA . 27834 1 142 . 1 1 34 34 GLN CB C 13 25.451 0.012 . 1 . . . . . 34 GLN CB . 27834 1 143 . 1 1 34 34 GLN N N 15 118.004 0.082 . 1 . . . . . 34 GLN N . 27834 1 144 . 1 1 35 35 GLU H H 1 7.819 0.006 . 1 . . . . . 35 GLU H . 27834 1 145 . 1 1 35 35 GLU C C 13 177.140 0.050 . 1 . . . . . 35 GLU C . 27834 1 146 . 1 1 35 35 GLU CA C 13 56.919 0.094 . 1 . . . . . 35 GLU CA . 27834 1 147 . 1 1 35 35 GLU CB C 13 26.175 0.047 . 1 . . . . . 35 GLU CB . 27834 1 148 . 1 1 35 35 GLU N N 15 121.315 0.043 . 1 . . . . . 35 GLU N . 27834 1 149 . 1 1 36 36 LEU H H 1 7.796 0.004 . 1 . . . . . 36 LEU H . 27834 1 150 . 1 1 36 36 LEU C C 13 176.764 0.030 . 1 . . . . . 36 LEU C . 27834 1 151 . 1 1 36 36 LEU CA C 13 55.253 0.137 . 1 . . . . . 36 LEU CA . 27834 1 152 . 1 1 36 36 LEU CB C 13 39.090 0.148 . 1 . . . . . 36 LEU CB . 27834 1 153 . 1 1 36 36 LEU N N 15 119.919 0.100 . 1 . . . . . 36 LEU N . 27834 1 154 . 1 1 37 37 ILE H H 1 7.737 0.005 . 1 . . . . . 37 ILE H . 27834 1 155 . 1 1 37 37 ILE C C 13 178.798 0.043 . 1 . . . . . 37 ILE C . 27834 1 156 . 1 1 37 37 ILE CA C 13 61.325 0.122 . 1 . . . . . 37 ILE CA . 27834 1 157 . 1 1 37 37 ILE CB C 13 35.484 0.000 . 1 . . . . . 37 ILE CB . 27834 1 158 . 1 1 37 37 ILE N N 15 121.171 0.101 . 1 . . . . . 37 ILE N . 27834 1 159 . 1 1 38 38 SER H H 1 9.064 0.002 . 1 . . . . . 38 SER H . 27834 1 160 . 1 1 38 38 SER C C 13 172.862 0.000 . 1 . . . . . 38 SER C . 27834 1 161 . 1 1 38 38 SER CA C 13 58.971 0.074 . 1 . . . . . 38 SER CA . 27834 1 162 . 1 1 38 38 SER CB C 13 59.930 0.000 . 1 . . . . . 38 SER CB . 27834 1 163 . 1 1 38 38 SER N N 15 120.618 0.048 . 1 . . . . . 38 SER N . 27834 1 164 . 1 1 39 39 ALA H H 1 7.538 0.004 . 1 . . . . . 39 ALA H . 27834 1 165 . 1 1 39 39 ALA C C 13 174.807 0.010 . 1 . . . . . 39 ALA C . 27834 1 166 . 1 1 39 39 ALA CA C 13 49.595 0.056 . 1 . . . . . 39 ALA CA . 27834 1 167 . 1 1 39 39 ALA CB C 13 16.434 0.008 . 1 . . . . . 39 ALA CB . 27834 1 168 . 1 1 39 39 ALA N N 15 120.460 0.031 . 1 . . . . . 39 ALA N . 27834 1 169 . 1 1 40 40 GLY H H 1 8.089 0.004 . 1 . . . . . 40 GLY H . 27834 1 170 . 1 1 40 40 GLY C C 13 172.050 0.000 . 1 . . . . . 40 GLY C . 27834 1 171 . 1 1 40 40 GLY CA C 13 42.672 0.108 . 1 . . . . . 40 GLY CA . 27834 1 172 . 1 1 40 40 GLY N N 15 106.942 0.050 . 1 . . . . . 40 GLY N . 27834 1 173 . 1 1 41 41 LEU H H 1 7.684 0.005 . 1 . . . . . 41 LEU H . 27834 1 174 . 1 1 41 41 LEU C C 13 172.562 0.000 . 1 . . . . . 41 LEU C . 27834 1 175 . 1 1 41 41 LEU CA C 13 53.031 0.067 . 1 . . . . . 41 LEU CA . 27834 1 176 . 1 1 41 41 LEU CB C 13 40.306 0.068 . 1 . . . . . 41 LEU CB . 27834 1 177 . 1 1 41 41 LEU N N 15 118.035 0.060 . 1 . . . . . 41 LEU N . 27834 1 178 . 1 1 42 42 VAL H H 1 6.594 0.006 . 1 . . . . . 42 VAL H . 27834 1 179 . 1 1 42 42 VAL C C 13 171.200 0.024 . 1 . . . . . 42 VAL C . 27834 1 180 . 1 1 42 42 VAL CA C 13 56.757 0.113 . 1 . . . . . 42 VAL CA . 27834 1 181 . 1 1 42 42 VAL CB C 13 34.193 0.071 . 1 . . . . . 42 VAL CB . 27834 1 182 . 1 1 42 42 VAL N N 15 117.198 0.039 . 1 . . . . . 42 VAL N . 27834 1 183 . 1 1 43 43 ASP H H 1 9.879 0.006 . 1 . . . . . 43 ASP H . 27834 1 184 . 1 1 43 43 ASP C C 13 175.316 0.000 . 1 . . . . . 43 ASP C . 27834 1 185 . 1 1 43 43 ASP CA C 13 52.050 0.102 . 1 . . . . . 43 ASP CA . 27834 1 186 . 1 1 43 43 ASP CB C 13 40.905 0.121 . 1 . . . . . 43 ASP CB . 27834 1 187 . 1 1 43 43 ASP N N 15 129.997 0.032 . 1 . . . . . 43 ASP N . 27834 1 188 . 1 1 44 44 GLY H H 1 9.007 0.005 . 1 . . . . . 44 GLY H . 27834 1 189 . 1 1 44 44 GLY C C 13 173.836 0.046 . 1 . . . . . 44 GLY C . 27834 1 190 . 1 1 44 44 GLY CA C 13 45.291 0.129 . 1 . . . . . 44 GLY CA . 27834 1 191 . 1 1 44 44 GLY N N 15 113.987 0.035 . 1 . . . . . 44 GLY N . 27834 1 192 . 1 1 45 45 ARG H H 1 9.419 0.003 . 1 . . . . . 45 ARG H . 27834 1 193 . 1 1 45 45 ARG C C 13 175.254 0.043 . 1 . . . . . 45 ARG C . 27834 1 194 . 1 1 45 45 ARG CA C 13 55.400 0.037 . 1 . . . . . 45 ARG CA . 27834 1 195 . 1 1 45 45 ARG CB C 13 27.694 0.035 . 1 . . . . . 45 ARG CB . 27834 1 196 . 1 1 45 45 ARG N N 15 119.672 0.070 . 1 . . . . . 45 ARG N . 27834 1 197 . 1 1 46 46 ASP H H 1 8.322 0.004 . 1 . . . . . 46 ASP H . 27834 1 198 . 1 1 46 46 ASP C C 13 172.110 0.000 . 1 . . . . . 46 ASP C . 27834 1 199 . 1 1 46 46 ASP CA C 13 52.450 0.033 . 1 . . . . . 46 ASP CA . 27834 1 200 . 1 1 46 46 ASP CB C 13 39.157 0.015 . 1 . . . . . 46 ASP CB . 27834 1 201 . 1 1 46 46 ASP N N 15 117.702 0.068 . 1 . . . . . 46 ASP N . 27834 1 202 . 1 1 47 47 LEU H H 1 6.821 0.005 . 1 . . . . . 47 LEU H . 27834 1 203 . 1 1 47 47 LEU C C 13 174.569 0.031 . 1 . . . . . 47 LEU C . 27834 1 204 . 1 1 47 47 LEU CA C 13 57.385 0.089 . 1 . . . . . 47 LEU CA . 27834 1 205 . 1 1 47 47 LEU CB C 13 39.482 0.009 . 1 . . . . . 47 LEU CB . 27834 1 206 . 1 1 47 47 LEU N N 15 120.026 0.058 . 1 . . . . . 47 LEU N . 27834 1 207 . 1 1 48 48 VAL H H 1 7.918 0.005 . 1 . . . . . 48 VAL H . 27834 1 208 . 1 1 48 48 VAL C C 13 176.074 0.015 . 1 . . . . . 48 VAL C . 27834 1 209 . 1 1 48 48 VAL CA C 13 63.608 0.057 . 1 . . . . . 48 VAL CA . 27834 1 210 . 1 1 48 48 VAL CB C 13 28.665 0.075 . 1 . . . . . 48 VAL CB . 27834 1 211 . 1 1 48 48 VAL N N 15 116.129 0.058 . 1 . . . . . 48 VAL N . 27834 1 212 . 1 1 49 49 ILE H H 1 7.937 0.005 . 1 . . . . . 49 ILE H . 27834 1 213 . 1 1 49 49 ILE C C 13 175.997 0.000 . 1 . . . . . 49 ILE C . 27834 1 214 . 1 1 49 49 ILE CA C 13 59.966 0.089 . 1 . . . . . 49 ILE CA . 27834 1 215 . 1 1 49 49 ILE CB C 13 36.399 0.017 . 1 . . . . . 49 ILE CB . 27834 1 216 . 1 1 49 49 ILE N N 15 121.442 0.059 . 1 . . . . . 49 ILE N . 27834 1 217 . 1 1 50 50 VAL H H 1 8.459 0.005 . 1 . . . . . 50 VAL H . 27834 1 218 . 1 1 50 50 VAL C C 13 174.363 0.019 . 1 . . . . . 50 VAL C . 27834 1 219 . 1 1 50 50 VAL CA C 13 64.755 0.119 . 1 . . . . . 50 VAL CA . 27834 1 220 . 1 1 50 50 VAL CB C 13 28.273 0.042 . 1 . . . . . 50 VAL CB . 27834 1 221 . 1 1 50 50 VAL N N 15 123.876 0.038 . 1 . . . . . 50 VAL N . 27834 1 222 . 1 1 51 51 ALA H H 1 8.064 0.006 . 1 . . . . . 51 ALA H . 27834 1 223 . 1 1 51 51 ALA C C 13 176.446 0.042 . 1 . . . . . 51 ALA C . 27834 1 224 . 1 1 51 51 ALA CA C 13 53.217 0.057 . 1 . . . . . 51 ALA CA . 27834 1 225 . 1 1 51 51 ALA CB C 13 14.770 0.013 . 1 . . . . . 51 ALA CB . 27834 1 226 . 1 1 51 51 ALA N N 15 120.530 0.076 . 1 . . . . . 51 ALA N . 27834 1 227 . 1 1 52 52 ALA H H 1 8.155 0.006 . 1 . . . . . 52 ALA H . 27834 1 228 . 1 1 52 52 ALA C C 13 178.213 0.056 . 1 . . . . . 52 ALA C . 27834 1 229 . 1 1 52 52 ALA CA C 13 52.144 0.024 . 1 . . . . . 52 ALA CA . 27834 1 230 . 1 1 52 52 ALA CB C 13 15.423 0.047 . 1 . . . . . 52 ALA CB . 27834 1 231 . 1 1 52 52 ALA N N 15 118.631 0.054 . 1 . . . . . 52 ALA N . 27834 1 232 . 1 1 53 53 ASN H H 1 7.260 0.005 . 1 . . . . . 53 ASN H . 27834 1 233 . 1 1 53 53 ASN C C 13 173.181 0.053 . 1 . . . . . 53 ASN C . 27834 1 234 . 1 1 53 53 ASN CA C 13 54.495 0.062 . 1 . . . . . 53 ASN CA . 27834 1 235 . 1 1 53 53 ASN CB C 13 37.039 0.032 . 1 . . . . . 53 ASN CB . 27834 1 236 . 1 1 53 53 ASN N N 15 116.952 0.056 . 1 . . . . . 53 ASN N . 27834 1 237 . 1 1 54 54 LEU H H 1 8.510 0.004 . 1 . . . . . 54 LEU H . 27834 1 238 . 1 1 54 54 LEU C C 13 174.133 0.000 . 1 . . . . . 54 LEU C . 27834 1 239 . 1 1 54 54 LEU CA C 13 54.892 0.032 . 1 . . . . . 54 LEU CA . 27834 1 240 . 1 1 54 54 LEU CB C 13 38.987 0.000 . 1 . . . . . 54 LEU CB . 27834 1 241 . 1 1 54 54 LEU N N 15 122.700 0.028 . 1 . . . . . 54 LEU N . 27834 1 242 . 1 1 55 55 GLN H H 1 8.030 0.004 . 1 . . . . . 55 GLN H . 27834 1 243 . 1 1 55 55 GLN C C 13 174.272 0.000 . 1 . . . . . 55 GLN C . 27834 1 244 . 1 1 55 55 GLN CA C 13 55.886 0.048 . 1 . . . . . 55 GLN CA . 27834 1 245 . 1 1 55 55 GLN CB C 13 25.358 0.003 . 1 . . . . . 55 GLN CB . 27834 1 246 . 1 1 55 55 GLN N N 15 116.854 0.075 . 1 . . . . . 55 GLN N . 27834 1 247 . 1 1 56 56 LYS H H 1 6.978 0.006 . 1 . . . . . 56 LYS H . 27834 1 248 . 1 1 56 56 LYS C C 13 176.263 0.051 . 1 . . . . . 56 LYS C . 27834 1 249 . 1 1 56 56 LYS CA C 13 56.097 0.062 . 1 . . . . . 56 LYS CA . 27834 1 250 . 1 1 56 56 LYS CB C 13 29.676 0.022 . 1 . . . . . 56 LYS CB . 27834 1 251 . 1 1 56 56 LYS N N 15 114.913 0.051 . 1 . . . . . 56 LYS N . 27834 1 252 . 1 1 57 57 ILE H H 1 7.535 0.005 . 1 . . . . . 57 ILE H . 27834 1 253 . 1 1 57 57 ILE C C 13 173.885 0.046 . 1 . . . . . 57 ILE C . 27834 1 254 . 1 1 57 57 ILE CA C 13 61.288 0.105 . 1 . . . . . 57 ILE CA . 27834 1 255 . 1 1 57 57 ILE CB C 13 35.280 0.000 . 1 . . . . . 57 ILE CB . 27834 1 256 . 1 1 57 57 ILE N N 15 118.211 0.069 . 1 . . . . . 57 ILE N . 27834 1 257 . 1 1 58 58 VAL H H 1 7.341 0.008 . 1 . . . . . 58 VAL H . 27834 1 258 . 1 1 58 58 VAL C C 13 174.128 0.025 . 1 . . . . . 58 VAL C . 27834 1 259 . 1 1 58 58 VAL CA C 13 61.035 0.110 . 1 . . . . . 58 VAL CA . 27834 1 260 . 1 1 58 58 VAL N N 15 112.219 0.107 . 1 . . . . . 58 VAL N . 27834 1 261 . 1 1 59 59 GLU H H 1 7.386 0.003 . 1 . . . . . 59 GLU H . 27834 1 262 . 1 1 59 59 GLU C C 13 174.607 0.042 . 1 . . . . . 59 GLU C . 27834 1 263 . 1 1 59 59 GLU CA C 13 55.423 0.082 . 1 . . . . . 59 GLU CA . 27834 1 264 . 1 1 59 59 GLU CB C 13 27.401 0.030 . 1 . . . . . 59 GLU CB . 27834 1 265 . 1 1 59 59 GLU N N 15 118.789 0.056 . 1 . . . . . 59 GLU N . 27834 1 266 . 1 1 60 60 GLU H H 1 7.256 0.007 . 1 . . . . . 60 GLU H . 27834 1 267 . 1 1 60 60 GLU C C 13 170.859 0.000 . 1 . . . . . 60 GLU C . 27834 1 268 . 1 1 60 60 GLU CA C 13 51.294 0.060 . 1 . . . . . 60 GLU CA . 27834 1 269 . 1 1 60 60 GLU CB C 13 27.397 0.000 . 1 . . . . . 60 GLU CB . 27834 1 270 . 1 1 60 60 GLU N N 15 117.330 0.037 . 1 . . . . . 60 GLU N . 27834 1 271 . 1 1 61 61 PRO C C 13 173.906 0.035 . 1 . . . . . 61 PRO C . 27834 1 272 . 1 1 61 61 PRO CA C 13 60.067 0.072 . 1 . . . . . 61 PRO CA . 27834 1 273 . 1 1 61 61 PRO CB C 13 29.641 0.092 . 1 . . . . . 61 PRO CB . 27834 1 274 . 1 1 62 62 GLN H H 1 9.027 0.005 . 1 . . . . . 62 GLN H . 27834 1 275 . 1 1 62 62 GLN C C 13 172.405 0.000 . 1 . . . . . 62 GLN C . 27834 1 276 . 1 1 62 62 GLN CA C 13 58.102 0.062 . 1 . . . . . 62 GLN CA . 27834 1 277 . 1 1 62 62 GLN N N 15 123.523 0.053 . 1 . . . . . 62 GLN N . 27834 1 278 . 1 1 63 63 SER H H 1 8.618 0.006 . 1 . . . . . 63 SER H . 27834 1 279 . 1 1 63 63 SER C C 13 171.415 0.000 . 1 . . . . . 63 SER C . 27834 1 280 . 1 1 63 63 SER CA C 13 55.444 0.180 . 1 . . . . . 63 SER CA . 27834 1 281 . 1 1 63 63 SER CB C 13 60.791 0.001 . 1 . . . . . 63 SER CB . 27834 1 282 . 1 1 63 63 SER N N 15 122.893 0.058 . 1 . . . . . 63 SER N . 27834 1 283 . 1 1 64 64 ASN H H 1 7.697 0.164 . 1 . . . . . 64 ASN H . 27834 1 284 . 1 1 64 64 ASN C C 13 172.230 0.000 . 1 . . . . . 64 ASN C . 27834 1 285 . 1 1 64 64 ASN CA C 13 51.942 0.000 . 1 . . . . . 64 ASN CA . 27834 1 286 . 1 1 64 64 ASN CB C 13 38.911 0.035 . 1 . . . . . 64 ASN CB . 27834 1 287 . 1 1 64 64 ASN N N 15 122.209 0.115 . 1 . . . . . 64 ASN N . 27834 1 288 . 1 1 65 65 ARG H H 1 8.069 0.003 . 1 . . . . . 65 ARG H . 27834 1 289 . 1 1 65 65 ARG C C 13 171.237 0.000 . 1 . . . . . 65 ARG C . 27834 1 290 . 1 1 65 65 ARG CA C 13 55.473 0.000 . 1 . . . . . 65 ARG CA . 27834 1 291 . 1 1 65 65 ARG CB C 13 36.090 0.000 . 1 . . . . . 65 ARG CB . 27834 1 292 . 1 1 65 65 ARG N N 15 122.136 0.040 . 1 . . . . . 65 ARG N . 27834 1 293 . 1 1 67 67 VAL C C 13 170.896 0.000 . 1 . . . . . 67 VAL C . 27834 1 294 . 1 1 67 67 VAL CB C 13 32.971 0.051 . 1 . . . . . 67 VAL CB . 27834 1 295 . 1 1 68 68 THR H H 1 8.641 0.006 . 1 . . . . . 68 THR H . 27834 1 296 . 1 1 68 68 THR C C 13 171.476 0.031 . 1 . . . . . 68 THR C . 27834 1 297 . 1 1 68 68 THR CA C 13 58.767 0.169 . 1 . . . . . 68 THR CA . 27834 1 298 . 1 1 68 68 THR CB C 13 67.501 0.017 . 1 . . . . . 68 THR CB . 27834 1 299 . 1 1 68 68 THR N N 15 122.959 0.040 . 1 . . . . . 68 THR N . 27834 1 300 . 1 1 69 69 PHE H H 1 8.707 0.004 . 1 . . . . . 69 PHE H . 27834 1 301 . 1 1 69 69 PHE C C 13 169.812 0.000 . 1 . . . . . 69 PHE C . 27834 1 302 . 1 1 69 69 PHE CA C 13 51.599 0.066 . 1 . . . . . 69 PHE CA . 27834 1 303 . 1 1 69 69 PHE CB C 13 38.592 0.031 . 1 . . . . . 69 PHE CB . 27834 1 304 . 1 1 69 69 PHE N N 15 122.244 0.061 . 1 . . . . . 69 PHE N . 27834 1 305 . 1 1 70 70 LYS H H 1 8.613 0.004 . 1 . . . . . 70 LYS H . 27834 1 306 . 1 1 70 70 LYS C C 13 173.418 0.049 . 1 . . . . . 70 LYS C . 27834 1 307 . 1 1 70 70 LYS CA C 13 53.768 0.105 . 1 . . . . . 70 LYS CA . 27834 1 308 . 1 1 70 70 LYS CB C 13 30.715 0.022 . 1 . . . . . 70 LYS CB . 27834 1 309 . 1 1 70 70 LYS N N 15 123.881 0.065 . 1 . . . . . 70 LYS N . 27834 1 310 . 1 1 71 71 LEU H H 1 7.600 0.005 . 1 . . . . . 71 LEU H . 27834 1 311 . 1 1 71 71 LEU C C 13 174.951 0.027 . 1 . . . . . 71 LEU C . 27834 1 312 . 1 1 71 71 LEU CA C 13 51.132 0.078 . 1 . . . . . 71 LEU CA . 27834 1 313 . 1 1 71 71 LEU CB C 13 38.355 0.062 . 1 . . . . . 71 LEU CB . 27834 1 314 . 1 1 71 71 LEU N N 15 124.012 0.087 . 1 . . . . . 71 LEU N . 27834 1 315 . 1 1 72 72 ALA H H 1 8.261 0.009 . 1 . . . . . 72 ALA H . 27834 1 316 . 1 1 72 72 ALA C C 13 177.450 0.059 . 1 . . . . . 72 ALA C . 27834 1 317 . 1 1 72 72 ALA CA C 13 51.177 0.154 . 1 . . . . . 72 ALA CA . 27834 1 318 . 1 1 72 72 ALA CB C 13 16.054 0.000 . 1 . . . . . 72 ALA CB . 27834 1 319 . 1 1 72 72 ALA N N 15 128.237 0.067 . 1 . . . . . 72 ALA N . 27834 1 320 . 1 1 73 73 SER H H 1 9.627 0.015 . 1 . . . . . 73 SER H . 27834 1 321 . 1 1 73 73 SER C C 13 172.887 0.000 . 1 . . . . . 73 SER C . 27834 1 322 . 1 1 73 73 SER CA C 13 56.487 0.059 . 1 . . . . . 73 SER CA . 27834 1 323 . 1 1 73 73 SER CB C 13 58.988 0.060 . 1 . . . . . 73 SER CB . 27834 1 324 . 1 1 73 73 SER N N 15 115.681 0.036 . 1 . . . . . 73 SER N . 27834 1 325 . 1 1 74 74 GLY H H 1 7.035 0.005 . 1 . . . . . 74 GLY H . 27834 1 326 . 1 1 74 74 GLY C C 13 171.279 0.052 . 1 . . . . . 74 GLY C . 27834 1 327 . 1 1 74 74 GLY CA C 13 43.121 0.010 . 1 . . . . . 74 GLY CA . 27834 1 328 . 1 1 74 74 GLY N N 15 106.410 0.113 . 1 . . . . . 74 GLY N . 27834 1 329 . 1 1 75 75 VAL H H 1 7.680 0.006 . 1 . . . . . 75 VAL H . 27834 1 330 . 1 1 75 75 VAL C C 13 172.917 0.008 . 1 . . . . . 75 VAL C . 27834 1 331 . 1 1 75 75 VAL CA C 13 58.486 0.089 . 1 . . . . . 75 VAL CA . 27834 1 332 . 1 1 75 75 VAL CB C 13 30.577 0.000 . 1 . . . . . 75 VAL CB . 27834 1 333 . 1 1 75 75 VAL N N 15 116.389 0.062 . 1 . . . . . 75 VAL N . 27834 1 334 . 1 1 76 76 GLU H H 1 8.604 0.007 . 1 . . . . . 76 GLU H . 27834 1 335 . 1 1 76 76 GLU C C 13 174.031 0.037 . 1 . . . . . 76 GLU C . 27834 1 336 . 1 1 76 76 GLU CA C 13 52.763 0.042 . 1 . . . . . 76 GLU CA . 27834 1 337 . 1 1 76 76 GLU N N 15 122.392 0.104 . 1 . . . . . 76 GLU N . 27834 1 338 . 1 1 77 77 GLY H H 1 8.279 0.005 . 1 . . . . . 77 GLY H . 27834 1 339 . 1 1 77 77 GLY CA C 13 43.249 0.000 . 1 . . . . . 77 GLY CA . 27834 1 340 . 1 1 77 77 GLY N N 15 109.345 0.097 . 1 . . . . . 77 GLY N . 27834 1 341 . 1 1 81 81 PRO C C 13 173.930 0.000 . 1 . . . . . 81 PRO C . 27834 1 342 . 1 1 81 81 PRO CA C 13 60.442 0.000 . 1 . . . . . 81 PRO CA . 27834 1 343 . 1 1 81 81 PRO CB C 13 29.544 0.089 . 1 . . . . . 81 PRO CB . 27834 1 344 . 1 1 82 82 ASP H H 1 9.166 0.005 . 1 . . . . . 82 ASP H . 27834 1 345 . 1 1 82 82 ASP C C 13 172.747 0.000 . 1 . . . . . 82 ASP C . 27834 1 346 . 1 1 82 82 ASP CA C 13 51.404 0.041 . 1 . . . . . 82 ASP CA . 27834 1 347 . 1 1 82 82 ASP CB C 13 41.423 0.000 . 1 . . . . . 82 ASP CB . 27834 1 348 . 1 1 82 82 ASP N N 15 121.580 0.067 . 1 . . . . . 82 ASP N . 27834 1 349 . 1 1 83 83 ASP H H 1 8.524 0.005 . 1 . . . . . 83 ASP H . 27834 1 350 . 1 1 83 83 ASP C C 13 174.322 0.000 . 1 . . . . . 83 ASP C . 27834 1 351 . 1 1 83 83 ASP CA C 13 53.379 0.043 . 1 . . . . . 83 ASP CA . 27834 1 352 . 1 1 83 83 ASP N N 15 127.135 0.090 . 1 . . . . . 83 ASP N . 27834 1 353 . 1 1 84 84 GLY H H 1 8.008 0.004 . 1 . . . . . 84 GLY H . 27834 1 354 . 1 1 84 84 GLY C C 13 172.846 0.000 . 1 . . . . . 84 GLY C . 27834 1 355 . 1 1 84 84 GLY CA C 13 43.686 0.043 . 1 . . . . . 84 GLY CA . 27834 1 356 . 1 1 84 84 GLY N N 15 110.263 0.052 . 1 . . . . . 84 GLY N . 27834 1 357 . 1 1 85 85 LYS H H 1 7.631 0.006 . 1 . . . . . 85 LYS H . 27834 1 358 . 1 1 85 85 LYS C C 13 172.302 0.052 . 1 . . . . . 85 LYS C . 27834 1 359 . 1 1 85 85 LYS CA C 13 52.839 0.087 . 1 . . . . . 85 LYS CA . 27834 1 360 . 1 1 85 85 LYS CB C 13 31.101 0.100 . 1 . . . . . 85 LYS CB . 27834 1 361 . 1 1 85 85 LYS N N 15 117.956 0.037 . 1 . . . . . 85 LYS N . 27834 1 362 . 1 1 86 86 LEU H H 1 7.538 0.004 . 1 . . . . . 86 LEU H . 27834 1 363 . 1 1 86 86 LEU C C 13 172.617 0.062 . 1 . . . . . 86 LEU C . 27834 1 364 . 1 1 86 86 LEU CA C 13 53.213 0.074 . 1 . . . . . 86 LEU CA . 27834 1 365 . 1 1 86 86 LEU CB C 13 34.844 0.007 . 1 . . . . . 86 LEU CB . 27834 1 366 . 1 1 86 86 LEU N N 15 116.232 0.056 . 1 . . . . . 86 LEU N . 27834 1 367 . 1 1 87 87 ILE H H 1 8.362 0.005 . 1 . . . . . 87 ILE H . 27834 1 368 . 1 1 87 87 ILE C C 13 174.009 0.047 . 1 . . . . . 87 ILE C . 27834 1 369 . 1 1 87 87 ILE CA C 13 58.170 0.110 . 1 . . . . . 87 ILE CA . 27834 1 370 . 1 1 87 87 ILE CB C 13 35.621 0.061 . 1 . . . . . 87 ILE CB . 27834 1 371 . 1 1 87 87 ILE N N 15 121.941 0.093 . 1 . . . . . 87 ILE N . 27834 1 372 . 1 1 88 88 GLY H H 1 9.471 0.005 . 1 . . . . . 88 GLY H . 27834 1 373 . 1 1 88 88 GLY C C 13 169.659 0.000 . 1 . . . . . 88 GLY C . 27834 1 374 . 1 1 88 88 GLY CA C 13 42.324 0.010 . 1 . . . . . 88 GLY CA . 27834 1 375 . 1 1 88 88 GLY N N 15 113.937 0.090 . 1 . . . . . 88 GLY N . 27834 1 376 . 1 1 89 89 PHE H H 1 6.739 0.003 . 1 . . . . . 89 PHE H . 27834 1 377 . 1 1 89 89 PHE C C 13 169.818 0.000 . 1 . . . . . 89 PHE C . 27834 1 378 . 1 1 89 89 PHE CA C 13 53.010 0.057 . 1 . . . . . 89 PHE CA . 27834 1 379 . 1 1 89 89 PHE CB C 13 43.059 0.000 . 1 . . . . . 89 PHE CB . 27834 1 380 . 1 1 89 89 PHE N N 15 115.510 0.037 . 1 . . . . . 89 PHE N . 27834 1 381 . 1 1 90 90 ALA H H 1 8.642 0.004 . 1 . . . . . 90 ALA H . 27834 1 382 . 1 1 90 90 ALA C C 13 170.920 0.000 . 1 . . . . . 90 ALA C . 27834 1 383 . 1 1 90 90 ALA CA C 13 47.012 0.020 . 1 . . . . . 90 ALA CA . 27834 1 384 . 1 1 90 90 ALA CB C 13 22.017 0.006 . 1 . . . . . 90 ALA CB . 27834 1 385 . 1 1 90 90 ALA N N 15 121.715 0.039 . 1 . . . . . 90 ALA N . 27834 1 386 . 1 1 91 91 GLN H H 1 8.551 0.004 . 1 . . . . . 91 GLN H . 27834 1 387 . 1 1 91 91 GLN C C 13 171.562 0.022 . 1 . . . . . 91 GLN C . 27834 1 388 . 1 1 91 91 GLN CA C 13 51.051 0.132 . 1 . . . . . 91 GLN CA . 27834 1 389 . 1 1 91 91 GLN N N 15 117.883 0.067 . 1 . . . . . 91 GLN N . 27834 1 390 . 1 1 92 92 LEU H H 1 9.279 0.004 . 1 . . . . . 92 LEU H . 27834 1 391 . 1 1 92 92 LEU C C 13 171.861 0.000 . 1 . . . . . 92 LEU C . 27834 1 392 . 1 1 92 92 LEU CA C 13 50.426 0.000 . 1 . . . . . 92 LEU CA . 27834 1 393 . 1 1 92 92 LEU CB C 13 44.490 0.000 . 1 . . . . . 92 LEU CB . 27834 1 394 . 1 1 92 92 LEU N N 15 129.916 0.069 . 1 . . . . . 92 LEU N . 27834 1 395 . 1 1 93 93 SER C C 13 170.818 0.000 . 1 . . . . . 93 SER C . 27834 1 396 . 1 1 93 93 SER CA C 13 54.284 0.011 . 1 . . . . . 93 SER CA . 27834 1 397 . 1 1 93 93 SER CB C 13 62.689 0.000 . 1 . . . . . 93 SER CB . 27834 1 398 . 1 1 94 94 ILE H H 1 9.158 0.005 . 1 . . . . . 94 ILE H . 27834 1 399 . 1 1 94 94 ILE C C 13 173.708 0.000 . 1 . . . . . 94 ILE C . 27834 1 400 . 1 1 94 94 ILE CA C 13 58.404 0.039 . 1 . . . . . 94 ILE CA . 27834 1 401 . 1 1 94 94 ILE CB C 13 36.044 0.000 . 1 . . . . . 94 ILE CB . 27834 1 402 . 1 1 94 94 ILE N N 15 122.446 0.071 . 1 . . . . . 94 ILE N . 27834 1 403 . 1 1 95 95 SER H H 1 8.438 0.005 . 1 . . . . . 95 SER H . 27834 1 404 . 1 1 95 95 SER C C 13 176.102 0.000 . 1 . . . . . 95 SER C . 27834 1 405 . 1 1 95 95 SER CA C 13 56.998 0.129 . 1 . . . . . 95 SER CA . 27834 1 406 . 1 1 95 95 SER CB C 13 61.916 0.000 . 1 . . . . . 95 SER CB . 27834 1 407 . 1 1 95 95 SER N N 15 129.861 0.064 . 1 . . . . . 95 SER N . 27834 1 stop_ save_