data_51491 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51491 _Entry.Title ; MEC-2 C-terminal disordered region (residues 372-481) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-14 _Entry.Accession_date 2022-06-14 _Entry.Last_release_date 2022-06-14 _Entry.Original_release_date 2022-06-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Borja Mateos . . . 0000-0002-0310-4943 51491 2 Neus Sanfeliu-Cerdan . . . 0000-0002-9569-7351 51491 3 Xavier Salvatella . . . 0000-0002-8371-4185 51491 4 Michael Krieg . . . 0000-0003-0501-5036 51491 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51491 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 201 51491 '15N chemical shifts' 76 51491 '1H chemical shifts' 75 51491 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 . . 2023-07-13 . original BMRB . 51491 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51490 'UNC-89 SH3 domain (residues 61-128)' 51491 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51491 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A viscoelastic switch of Stomatin condensatesgoverns transport and mechanotransduction ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Cell Biol.' _Citation.Journal_name_full 'Nature Cell Biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Neus Sanfeliu-Cerdan . . . . 51491 1 2 Borja Mateos . . . . 51491 1 3 Carla Garcia-Cabau . . . . 51491 1 4 Frederic Catala-Castro . . . . 51491 1 5 Maria Ribera . . . . 51491 1 6 Montserrat Porta-de-la-Riva . . . . 51491 1 7 Stefan Wieser . . . . 51491 1 8 Xavier Salvatella . . . . 51491 1 9 Michael Krieg . . . . 51491 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51491 _Assembly.ID 1 _Assembly.Name 'MEC-2 C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'MEC-2 C-terminal domain' 1 $entity_1 . . yes native no no . . . 51491 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51491 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PPKVEEPPSLPKKIRSCCLY KYPDWVQGMVGSEGGGGHGH SHGGGGGGLGSSQGAFHPSQ AGSGPSTTTTSGRPLLRSMR EAQFHSAAPPISAPNQSQTS VSQLDPALLIR ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 371 PRO . 51491 1 2 372 PRO . 51491 1 3 373 LYS . 51491 1 4 374 VAL . 51491 1 5 375 GLU . 51491 1 6 376 GLU . 51491 1 7 377 PRO . 51491 1 8 378 PRO . 51491 1 9 379 SER . 51491 1 10 380 LEU . 51491 1 11 381 PRO . 51491 1 12 382 LYS . 51491 1 13 383 LYS . 51491 1 14 384 ILE . 51491 1 15 385 ARG . 51491 1 16 386 SER . 51491 1 17 387 CYS . 51491 1 18 388 CYS . 51491 1 19 389 LEU . 51491 1 20 390 TYR . 51491 1 21 391 LYS . 51491 1 22 392 TYR . 51491 1 23 393 PRO . 51491 1 24 394 ASP . 51491 1 25 395 TRP . 51491 1 26 396 VAL . 51491 1 27 397 GLN . 51491 1 28 398 GLY . 51491 1 29 399 MET . 51491 1 30 400 VAL . 51491 1 31 401 GLY . 51491 1 32 402 SER . 51491 1 33 403 GLU . 51491 1 34 404 GLY . 51491 1 35 405 GLY . 51491 1 36 406 GLY . 51491 1 37 407 GLY . 51491 1 38 408 HIS . 51491 1 39 409 GLY . 51491 1 40 410 HIS . 51491 1 41 411 SER . 51491 1 42 412 HIS . 51491 1 43 413 GLY . 51491 1 44 414 GLY . 51491 1 45 415 GLY . 51491 1 46 416 GLY . 51491 1 47 417 GLY . 51491 1 48 418 GLY . 51491 1 49 419 LEU . 51491 1 50 420 GLY . 51491 1 51 421 SER . 51491 1 52 422 SER . 51491 1 53 423 GLN . 51491 1 54 424 GLY . 51491 1 55 425 ALA . 51491 1 56 426 PHE . 51491 1 57 427 HIS . 51491 1 58 428 PRO . 51491 1 59 429 SER . 51491 1 60 430 GLN . 51491 1 61 431 ALA . 51491 1 62 432 GLY . 51491 1 63 433 SER . 51491 1 64 434 GLY . 51491 1 65 435 PRO . 51491 1 66 436 SER . 51491 1 67 437 THR . 51491 1 68 438 THR . 51491 1 69 439 THR . 51491 1 70 440 THR . 51491 1 71 441 SER . 51491 1 72 442 GLY . 51491 1 73 443 ARG . 51491 1 74 444 PRO . 51491 1 75 445 LEU . 51491 1 76 446 LEU . 51491 1 77 447 ARG . 51491 1 78 448 SER . 51491 1 79 449 MET . 51491 1 80 450 ARG . 51491 1 81 451 GLU . 51491 1 82 452 ALA . 51491 1 83 453 GLN . 51491 1 84 454 PHE . 51491 1 85 455 HIS . 51491 1 86 456 SER . 51491 1 87 457 ALA . 51491 1 88 458 ALA . 51491 1 89 459 PRO . 51491 1 90 460 PRO . 51491 1 91 461 ILE . 51491 1 92 462 SER . 51491 1 93 463 ALA . 51491 1 94 464 PRO . 51491 1 95 465 ASN . 51491 1 96 466 GLN . 51491 1 97 467 SER . 51491 1 98 468 GLN . 51491 1 99 469 THR . 51491 1 100 470 SER . 51491 1 101 471 VAL . 51491 1 102 472 SER . 51491 1 103 473 GLN . 51491 1 104 474 LEU . 51491 1 105 475 ASP . 51491 1 106 476 PRO . 51491 1 107 477 ALA . 51491 1 108 478 LEU . 51491 1 109 479 LEU . 51491 1 110 480 ILE . 51491 1 111 481 ARG . 51491 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 51491 1 . PRO 2 2 51491 1 . LYS 3 3 51491 1 . VAL 4 4 51491 1 . GLU 5 5 51491 1 . GLU 6 6 51491 1 . PRO 7 7 51491 1 . PRO 8 8 51491 1 . SER 9 9 51491 1 . LEU 10 10 51491 1 . PRO 11 11 51491 1 . LYS 12 12 51491 1 . LYS 13 13 51491 1 . ILE 14 14 51491 1 . ARG 15 15 51491 1 . SER 16 16 51491 1 . CYS 17 17 51491 1 . CYS 18 18 51491 1 . LEU 19 19 51491 1 . TYR 20 20 51491 1 . LYS 21 21 51491 1 . TYR 22 22 51491 1 . PRO 23 23 51491 1 . ASP 24 24 51491 1 . TRP 25 25 51491 1 . VAL 26 26 51491 1 . GLN 27 27 51491 1 . GLY 28 28 51491 1 . MET 29 29 51491 1 . VAL 30 30 51491 1 . GLY 31 31 51491 1 . SER 32 32 51491 1 . GLU 33 33 51491 1 . GLY 34 34 51491 1 . GLY 35 35 51491 1 . GLY 36 36 51491 1 . GLY 37 37 51491 1 . HIS 38 38 51491 1 . GLY 39 39 51491 1 . HIS 40 40 51491 1 . SER 41 41 51491 1 . HIS 42 42 51491 1 . GLY 43 43 51491 1 . GLY 44 44 51491 1 . GLY 45 45 51491 1 . GLY 46 46 51491 1 . GLY 47 47 51491 1 . GLY 48 48 51491 1 . LEU 49 49 51491 1 . GLY 50 50 51491 1 . SER 51 51 51491 1 . SER 52 52 51491 1 . GLN 53 53 51491 1 . GLY 54 54 51491 1 . ALA 55 55 51491 1 . PHE 56 56 51491 1 . HIS 57 57 51491 1 . PRO 58 58 51491 1 . SER 59 59 51491 1 . GLN 60 60 51491 1 . ALA 61 61 51491 1 . GLY 62 62 51491 1 . SER 63 63 51491 1 . GLY 64 64 51491 1 . PRO 65 65 51491 1 . SER 66 66 51491 1 . THR 67 67 51491 1 . THR 68 68 51491 1 . THR 69 69 51491 1 . THR 70 70 51491 1 . SER 71 71 51491 1 . GLY 72 72 51491 1 . ARG 73 73 51491 1 . PRO 74 74 51491 1 . LEU 75 75 51491 1 . LEU 76 76 51491 1 . ARG 77 77 51491 1 . SER 78 78 51491 1 . MET 79 79 51491 1 . ARG 80 80 51491 1 . GLU 81 81 51491 1 . ALA 82 82 51491 1 . GLN 83 83 51491 1 . PHE 84 84 51491 1 . HIS 85 85 51491 1 . SER 86 86 51491 1 . ALA 87 87 51491 1 . ALA 88 88 51491 1 . PRO 89 89 51491 1 . PRO 90 90 51491 1 . ILE 91 91 51491 1 . SER 92 92 51491 1 . ALA 93 93 51491 1 . PRO 94 94 51491 1 . ASN 95 95 51491 1 . GLN 96 96 51491 1 . SER 97 97 51491 1 . GLN 98 98 51491 1 . THR 99 99 51491 1 . SER 100 100 51491 1 . VAL 101 101 51491 1 . SER 102 102 51491 1 . GLN 103 103 51491 1 . LEU 104 104 51491 1 . ASP 105 105 51491 1 . PRO 106 106 51491 1 . ALA 107 107 51491 1 . LEU 108 108 51491 1 . LEU 109 109 51491 1 . ILE 110 110 51491 1 . ARG 111 111 51491 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51491 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51491 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51491 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 51491 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51491 _Sample.ID 1 _Sample.Name 'MEC-2 15N 13C' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MEC-2 C-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51491 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 51491 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 51491 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51491 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 51491 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 51491 1 pH 7.4 . pH 51491 1 pressure 1 . atm 51491 1 temperature 278 . K 51491 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51491 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51491 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51491 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51491 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51491 _Software.ID 3 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51491 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51491 _Software.ID 4 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51491 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51491 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600MHz AVANCE III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51491 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51491 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'MEC-2 chemical shift table' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51491 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51491 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51491 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51491 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UNC89_SH3 assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51491 1 2 '3D HNCO' . . . 51491 1 3 '3D HN(CA)CO' . . . 51491 1 4 '3D HNCA' . . . 51491 1 5 '3D HN(CO)CACB' . . . 51491 1 6 '3D HNCACB' . . . 51491 1 7 '3D HN(CO)CA' . . . 51491 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 51491 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO CA C 13 62.39128697 0 . 1 . . . . . 372 PRO CA . 51491 1 2 . 1 . 1 2 2 PRO CB C 13 32.67863151 0 . 1 . . . . . 372 PRO CB . 51491 1 3 . 1 . 1 3 3 LYS H H 1 8.444061269 0.01122785805 . 1 . . . . . 373 LYS H . 51491 1 4 . 1 . 1 3 3 LYS C C 13 176.1981406 0.04580794791 . 1 . . . . . 373 LYS C . 51491 1 5 . 1 . 1 3 3 LYS CA C 13 55.86021107 0.001892456209 . 1 . . . . . 373 LYS CA . 51491 1 6 . 1 . 1 3 3 LYS CB C 13 33.65481283 0.09164068339 . 1 . . . . . 373 LYS CB . 51491 1 7 . 1 . 1 3 3 LYS N N 15 121.5236235 0.08517053342 . 1 . . . . . 373 LYS N . 51491 1 8 . 1 . 1 4 4 VAL H H 1 8.370806832 0.03063103322 . 1 . . . . . 374 VAL H . 51491 1 9 . 1 . 1 4 4 VAL C C 13 175.617578 0.004391095189 . 1 . . . . . 374 VAL C . 51491 1 10 . 1 . 1 4 4 VAL CA C 13 61.81096933 0.01634329808 . 1 . . . . . 374 VAL CA . 51491 1 11 . 1 . 1 4 4 VAL CB C 13 33.42365175 0 . 1 . . . . . 374 VAL CB . 51491 1 12 . 1 . 1 4 4 VAL N N 15 122.8783926 0.1277687643 . 1 . . . . . 374 VAL N . 51491 1 13 . 1 . 1 5 5 GLU H H 1 8.599068641 0.009190114677 . 1 . . . . . 375 GLU H . 51491 1 14 . 1 . 1 5 5 GLU C C 13 175.6869982 0.006537101244 . 1 . . . . . 375 GLU C . 51491 1 15 . 1 . 1 5 5 GLU CA C 13 55.63861044 0.008353451121 . 1 . . . . . 375 GLU CA . 51491 1 16 . 1 . 1 5 5 GLU CB C 13 31.03763956 0.02079129286 . 1 . . . . . 375 GLU CB . 51491 1 17 . 1 . 1 5 5 GLU N N 15 125.1616163 0.01707605728 . 1 . . . . . 375 GLU N . 51491 1 18 . 1 . 1 6 6 GLU H H 1 8.571777045 0.01103844029 . 1 . . . . . 376 GLU H . 51491 1 19 . 1 . 1 6 6 GLU C C 13 173.7162689 0 . 1 . . . . . 376 GLU C . 51491 1 20 . 1 . 1 6 6 GLU CA C 13 53.88337038 0 . 1 . . . . . 376 GLU CA . 51491 1 21 . 1 . 1 6 6 GLU CB C 13 30.26515576 0 . 1 . . . . . 376 GLU CB . 51491 1 22 . 1 . 1 6 6 GLU N N 15 123.6565893 0.05389830674 . 1 . . . . . 376 GLU N . 51491 1 23 . 1 . 1 8 8 PRO C C 13 176.4791232 0 . 1 . . . . . 378 PRO C . 51491 1 24 . 1 . 1 9 9 SER H H 1 8.44232343 0.007578229848 . 1 . . . . . 379 SER H . 51491 1 25 . 1 . 1 9 9 SER C C 13 173.9145468 0.001277428147 . 1 . . . . . 379 SER C . 51491 1 26 . 1 . 1 9 9 SER N N 15 115.5002453 0.02126529118 . 1 . . . . . 379 SER N . 51491 1 27 . 1 . 1 10 10 LEU H H 1 8.347006626 0.02042862524 . 1 . . . . . 380 LEU H . 51491 1 28 . 1 . 1 10 10 LEU C C 13 174.8488125 0 . 1 . . . . . 380 LEU C . 51491 1 29 . 1 . 1 10 10 LEU N N 15 124.6847991 0.205370876 . 1 . . . . . 380 LEU N . 51491 1 30 . 1 . 1 23 23 PRO C C 13 176.3217949 0 . 1 . . . . . 393 PRO C . 51491 1 31 . 1 . 1 23 23 PRO CA C 13 63.10482499 0 . 1 . . . . . 393 PRO CA . 51491 1 32 . 1 . 1 23 23 PRO CB C 13 32.6473151 0 . 1 . . . . . 393 PRO CB . 51491 1 33 . 1 . 1 24 24 ASP H H 1 8.348859622 0.01379991199 . 1 . . . . . 394 ASP H . 51491 1 34 . 1 . 1 24 24 ASP C C 13 175.7411729 0.009588418386 . 1 . . . . . 394 ASP C . 51491 1 35 . 1 . 1 24 24 ASP CA C 13 54.27243861 0 . 1 . . . . . 394 ASP CA . 51491 1 36 . 1 . 1 24 24 ASP CB C 13 41.24788923 0 . 1 . . . . . 394 ASP CB . 51491 1 37 . 1 . 1 24 24 ASP N N 15 118.6055017 0.1438855084 . 1 . . . . . 394 ASP N . 51491 1 38 . 1 . 1 25 25 TRP H H 1 7.911622252 0.007157152931 . 1 . . . . . 395 TRP H . 51491 1 39 . 1 . 1 25 25 TRP C C 13 175.8620134 0.001467414428 . 1 . . . . . 395 TRP C . 51491 1 40 . 1 . 1 25 25 TRP CA C 13 57.57242157 0 . 1 . . . . . 395 TRP CA . 51491 1 41 . 1 . 1 25 25 TRP N N 15 119.7375956 0.02744342318 . 1 . . . . . 395 TRP N . 51491 1 42 . 1 . 1 26 26 VAL H H 1 7.555371837 0.005676854772 . 1 . . . . . 396 VAL H . 51491 1 43 . 1 . 1 26 26 VAL C C 13 174.9593302 0 . 1 . . . . . 396 VAL C . 51491 1 44 . 1 . 1 26 26 VAL CA C 13 61.88175419 0 . 1 . . . . . 396 VAL CA . 51491 1 45 . 1 . 1 26 26 VAL N N 15 122.308006 0.03208229654 . 1 . . . . . 396 VAL N . 51491 1 46 . 1 . 1 27 27 GLN H H 1 8.133663767 0.004376397245 . 1 . . . . . 397 GLN H . 51491 1 47 . 1 . 1 27 27 GLN CA C 13 56.2075711 0 . 1 . . . . . 397 GLN CA . 51491 1 48 . 1 . 1 27 27 GLN CB C 13 29.590955 0 . 1 . . . . . 397 GLN CB . 51491 1 49 . 1 . 1 27 27 GLN N N 15 122.2886579 0.02576589118 . 1 . . . . . 397 GLN N . 51491 1 50 . 1 . 1 28 28 GLY H H 1 8.467746647 0.02008771981 . 1 . . . . . 398 GLY H . 51491 1 51 . 1 . 1 28 28 GLY C C 13 173.853512 0 . 1 . . . . . 398 GLY C . 51491 1 52 . 1 . 1 28 28 GLY CA C 13 44.83994776 0 . 1 . . . . . 398 GLY CA . 51491 1 53 . 1 . 1 28 28 GLY N N 15 109.0578794 0.09919856285 . 1 . . . . . 398 GLY N . 51491 1 54 . 1 . 1 29 29 MET H H 1 8.076395595 0.03713335476 . 1 . . . . . 399 MET H . 51491 1 55 . 1 . 1 29 29 MET C C 13 176.1166609 0.01214084968 . 1 . . . . . 399 MET C . 51491 1 56 . 1 . 1 29 29 MET CA C 13 55.17795225 0.02230183213 . 1 . . . . . 399 MET CA . 51491 1 57 . 1 . 1 29 29 MET CB C 13 33.58282005 0.08231096378 . 1 . . . . . 399 MET CB . 51491 1 58 . 1 . 1 29 29 MET N N 15 118.8487519 0.175579874 . 1 . . . . . 399 MET N . 51491 1 59 . 1 . 1 30 30 VAL H H 1 8.287448583 0.02311606784 . 1 . . . . . 400 VAL H . 51491 1 60 . 1 . 1 30 30 VAL C C 13 176.4614624 0 . 1 . . . . . 400 VAL C . 51491 1 61 . 1 . 1 30 30 VAL CA C 13 62.46093187 0.009578963948 . 1 . . . . . 400 VAL CA . 51491 1 62 . 1 . 1 30 30 VAL CB C 13 33.23913343 0 . 1 . . . . . 400 VAL CB . 51491 1 63 . 1 . 1 30 30 VAL N N 15 121.0696774 0.1961721549 . 1 . . . . . 400 VAL N . 51491 1 64 . 1 . 1 31 31 GLY H H 1 8.620157413 0.00657131915 . 1 . . . . . 401 GLY H . 51491 1 65 . 1 . 1 31 31 GLY C C 13 174.0546277 0.008546703442 . 1 . . . . . 401 GLY C . 51491 1 66 . 1 . 1 31 31 GLY CA C 13 44.80993494 0 . 1 . . . . . 401 GLY CA . 51491 1 67 . 1 . 1 31 31 GLY N N 15 112.4801252 0.02170329936 . 1 . . . . . 401 GLY N . 51491 1 68 . 1 . 1 32 32 SER H H 1 8.261794007 0.01212492584 . 1 . . . . . 402 SER H . 51491 1 69 . 1 . 1 32 32 SER C C 13 174.623701 0.002831608565 . 1 . . . . . 402 SER C . 51491 1 70 . 1 . 1 32 32 SER CA C 13 58.13946874 0 . 1 . . . . . 402 SER CA . 51491 1 71 . 1 . 1 32 32 SER CB C 13 64.46203722 0 . 1 . . . . . 402 SER CB . 51491 1 72 . 1 . 1 32 32 SER N N 15 114.7400691 0.1519787634 . 1 . . . . . 402 SER N . 51491 1 73 . 1 . 1 33 33 GLU H H 1 8.732507258 0.005649480551 . 1 . . . . . 403 GLU H . 51491 1 74 . 1 . 1 33 33 GLU C C 13 176.8994601 0.01008558489 . 1 . . . . . 403 GLU C . 51491 1 75 . 1 . 1 33 33 GLU CA C 13 56.74756499 0.01513414801 . 1 . . . . . 403 GLU CA . 51491 1 76 . 1 . 1 33 33 GLU CB C 13 30.38625198 0.005598368588 . 1 . . . . . 403 GLU CB . 51491 1 77 . 1 . 1 33 33 GLU N N 15 121.990528 0.009365743217 . 1 . . . . . 403 GLU N . 51491 1 78 . 1 . 1 34 34 GLY H H 1 8.458697625 0.00496754503 . 1 . . . . . 404 GLY H . 51491 1 79 . 1 . 1 34 34 GLY C C 13 174.5723136 0.004332939048 . 1 . . . . . 404 GLY C . 51491 1 80 . 1 . 1 34 34 GLY CA C 13 45.01101108 0.03657715393 . 1 . . . . . 404 GLY CA . 51491 1 81 . 1 . 1 34 34 GLY N N 15 108.8959486 0.01117743965 . 1 . . . . . 404 GLY N . 51491 1 82 . 1 . 1 35 35 GLY H H 1 8.301337399 0.00581624403 . 1 . . . . . 405 GLY H . 51491 1 83 . 1 . 1 35 35 GLY C C 13 174.5437721 0 . 1 . . . . . 405 GLY C . 51491 1 84 . 1 . 1 35 35 GLY CA C 13 45.02980433 0 . 1 . . . . . 405 GLY CA . 51491 1 85 . 1 . 1 35 35 GLY N N 15 107.8526527 0.01304109601 . 1 . . . . . 405 GLY N . 51491 1 86 . 1 . 1 37 37 GLY C C 13 173.4392812 0 . 1 . . . . . 407 GLY C . 51491 1 87 . 1 . 1 39 39 GLY H H 1 8.313927422 0.002534745991 . 1 . . . . . 409 GLY H . 51491 1 88 . 1 . 1 39 39 GLY N N 15 107.6676224 0.009649870523 . 1 . . . . . 409 GLY N . 51491 1 89 . 1 . 1 40 40 HIS H H 1 8.223373423 0.006723556754 . 1 . . . . . 410 HIS H . 51491 1 90 . 1 . 1 40 40 HIS N N 15 118.1492602 0.184521985 . 1 . . . . . 410 HIS N . 51491 1 91 . 1 . 1 47 47 GLY C C 13 174.5135514 0 . 1 . . . . . 417 GLY C . 51491 1 92 . 1 . 1 48 48 GLY H H 1 8.333313496 0.02437442274 . 1 . . . . . 418 GLY H . 51491 1 93 . 1 . 1 48 48 GLY C C 13 174.1181638 0.006952682138 . 1 . . . . . 418 GLY C . 51491 1 94 . 1 . 1 48 48 GLY CA C 13 44.69717007 0.001061537833 . 1 . . . . . 418 GLY CA . 51491 1 95 . 1 . 1 48 48 GLY N N 15 107.7766128 0.07629884156 . 1 . . . . . 418 GLY N . 51491 1 96 . 1 . 1 49 49 LEU H H 1 8.31008507 0.01019764638 . 1 . . . . . 419 LEU H . 51491 1 97 . 1 . 1 49 49 LEU C C 13 177.9834748 0.009589701857 . 1 . . . . . 419 LEU C . 51491 1 98 . 1 . 1 49 49 LEU CA C 13 55.1055957 0.01567483274 . 1 . . . . . 419 LEU CA . 51491 1 99 . 1 . 1 49 49 LEU CB C 13 42.87563923 0.03928125457 . 1 . . . . . 419 LEU CB . 51491 1 100 . 1 . 1 49 49 LEU N N 15 120.7849514 0.1755375214 . 1 . . . . . 419 LEU N . 51491 1 101 . 1 . 1 50 50 GLY H H 1 8.577534365 0.005104656284 . 1 . . . . . 420 GLY H . 51491 1 102 . 1 . 1 50 50 GLY C C 13 174.0862336 0.00944119617 . 1 . . . . . 420 GLY C . 51491 1 103 . 1 . 1 50 50 GLY CA C 13 44.9753053 0.0145248795 . 1 . . . . . 420 GLY CA . 51491 1 104 . 1 . 1 50 50 GLY N N 15 109.1344586 0.01481853032 . 1 . . . . . 420 GLY N . 51491 1 105 . 1 . 1 51 51 SER H H 1 8.239499888 0.006975528528 . 1 . . . . . 421 SER H . 51491 1 106 . 1 . 1 51 51 SER C C 13 174.6840026 0 . 1 . . . . . 421 SER C . 51491 1 107 . 1 . 1 51 51 SER CA C 13 57.98910645 0 . 1 . . . . . 421 SER CA . 51491 1 108 . 1 . 1 51 51 SER CB C 13 64.45803469 0 . 1 . . . . . 421 SER CB . 51491 1 109 . 1 . 1 51 51 SER N N 15 114.717159 0.02180796134 . 1 . . . . . 421 SER N . 51491 1 110 . 1 . 1 52 52 SER H H 1 8.382708142 0.004644305661 . 1 . . . . . 422 SER H . 51491 1 111 . 1 . 1 52 52 SER C C 13 174.4016403 0 . 1 . . . . . 422 SER C . 51491 1 112 . 1 . 1 52 52 SER CA C 13 58.29350821 0 . 1 . . . . . 422 SER CA . 51491 1 113 . 1 . 1 52 52 SER N N 15 117.2076339 0.01985390168 . 1 . . . . . 422 SER N . 51491 1 114 . 1 . 1 53 53 GLN H H 1 8.423933901 0.01237718115 . 1 . . . . . 423 GLN H . 51491 1 115 . 1 . 1 53 53 GLN C C 13 176.105398 0.008549069777 . 1 . . . . . 423 GLN C . 51491 1 116 . 1 . 1 53 53 GLN CA C 13 55.78670967 0.01344711848 . 1 . . . . . 423 GLN CA . 51491 1 117 . 1 . 1 53 53 GLN CB C 13 29.9130144 0.0009254802427 . 1 . . . . . 423 GLN CB . 51491 1 118 . 1 . 1 53 53 GLN N N 15 121.0028447 0.08975509155 . 1 . . . . . 423 GLN N . 51491 1 119 . 1 . 1 54 54 GLY H H 1 8.377509905 0.004728098839 . 1 . . . . . 424 GLY H . 51491 1 120 . 1 . 1 54 54 GLY C C 13 173.2978758 0.01068203071 . 1 . . . . . 424 GLY C . 51491 1 121 . 1 . 1 54 54 GLY CA C 13 44.78351234 0.01272926376 . 1 . . . . . 424 GLY CA . 51491 1 122 . 1 . 1 54 54 GLY N N 15 109.0708695 0.009030648322 . 1 . . . . . 424 GLY N . 51491 1 123 . 1 . 1 55 55 ALA H H 1 8.105198077 0.01474857169 . 1 . . . . . 425 ALA H . 51491 1 124 . 1 . 1 55 55 ALA C C 13 176.8440634 0.00529554627 . 1 . . . . . 425 ALA C . 51491 1 125 . 1 . 1 55 55 ALA CA C 13 51.95643202 0.0135564373 . 1 . . . . . 425 ALA CA . 51491 1 126 . 1 . 1 55 55 ALA CB C 13 19.88507196 0.01931800402 . 1 . . . . . 425 ALA CB . 51491 1 127 . 1 . 1 55 55 ALA N N 15 122.4878956 0.1159114803 . 1 . . . . . 425 ALA N . 51491 1 128 . 1 . 1 56 56 PHE H H 1 8.214499765 0.01074217685 . 1 . . . . . 426 PHE H . 51491 1 129 . 1 . 1 56 56 PHE C C 13 174.6262524 0.008381978495 . 1 . . . . . 426 PHE C . 51491 1 130 . 1 . 1 56 56 PHE CA C 13 57.0941793 0.02457089614 . 1 . . . . . 426 PHE CA . 51491 1 131 . 1 . 1 56 56 PHE CB C 13 40.20914476 0.01183692263 . 1 . . . . . 426 PHE CB . 51491 1 132 . 1 . 1 56 56 PHE N N 15 118.6316374 0.01769848817 . 1 . . . . . 426 PHE N . 51491 1 133 . 1 . 1 57 57 HIS H H 1 8.17657213 0.01175194621 . 1 . . . . . 427 HIS H . 51491 1 134 . 1 . 1 57 57 HIS C C 13 173.0407591 0 . 1 . . . . . 427 HIS C . 51491 1 135 . 1 . 1 57 57 HIS CA C 13 53.81765236 0 . 1 . . . . . 427 HIS CA . 51491 1 136 . 1 . 1 57 57 HIS CB C 13 31.79646064 0 . 1 . . . . . 427 HIS CB . 51491 1 137 . 1 . 1 57 57 HIS N N 15 123.4857358 0.05663136291 . 1 . . . . . 427 HIS N . 51491 1 138 . 1 . 1 58 58 PRO C C 13 176.7930655 0 . 1 . . . . . 428 PRO C . 51491 1 139 . 1 . 1 58 58 PRO CA C 13 63.15674475 0 . 1 . . . . . 428 PRO CA . 51491 1 140 . 1 . 1 58 58 PRO CB C 13 32.71145056 0 . 1 . . . . . 428 PRO CB . 51491 1 141 . 1 . 1 59 59 SER H H 1 8.823657758 0.01394911075 . 1 . . . . . 429 SER H . 51491 1 142 . 1 . 1 59 59 SER C C 13 174.5909596 0.01716361017 . 1 . . . . . 429 SER C . 51491 1 143 . 1 . 1 59 59 SER CA C 13 58.50915637 0 . 1 . . . . . 429 SER CA . 51491 1 144 . 1 . 1 59 59 SER CB C 13 64.32167533 0 . 1 . . . . . 429 SER CB . 51491 1 145 . 1 . 1 59 59 SER N N 15 115.4130787 0.01012871268 . 1 . . . . . 429 SER N . 51491 1 146 . 1 . 1 60 60 GLN H H 1 8.438766469 0.008146438374 . 1 . . . . . 430 GLN H . 51491 1 147 . 1 . 1 60 60 GLN C C 13 175.4952597 0.0001601832217 . 1 . . . . . 430 GLN C . 51491 1 148 . 1 . 1 60 60 GLN CA C 13 55.32353005 0 . 1 . . . . . 430 GLN CA . 51491 1 149 . 1 . 1 60 60 GLN CB C 13 29.94927853 0 . 1 . . . . . 430 GLN CB . 51491 1 150 . 1 . 1 60 60 GLN N N 15 121.3745686 0.02367236818 . 1 . . . . . 430 GLN N . 51491 1 151 . 1 . 1 61 61 ALA H H 1 8.324133189 0.008657945829 . 1 . . . . . 431 ALA H . 51491 1 152 . 1 . 1 61 61 ALA C C 13 177.994873 0.0006599453832 . 1 . . . . . 431 ALA C . 51491 1 153 . 1 . 1 61 61 ALA CA C 13 52.54423247 0.01440198212 . 1 . . . . . 431 ALA CA . 51491 1 154 . 1 . 1 61 61 ALA CB C 13 19.68788104 0.01055571537 . 1 . . . . . 431 ALA CB . 51491 1 155 . 1 . 1 61 61 ALA N N 15 124.4143534 0.1316031957 . 1 . . . . . 431 ALA N . 51491 1 156 . 1 . 1 62 62 GLY H H 1 8.450889838 0.0379798129 . 1 . . . . . 432 GLY H . 51491 1 157 . 1 . 1 62 62 GLY C C 13 173.8790894 0.01327060356 . 1 . . . . . 432 GLY C . 51491 1 158 . 1 . 1 62 62 GLY CA C 13 44.85402475 0.01569014816 . 1 . . . . . 432 GLY CA . 51491 1 159 . 1 . 1 62 62 GLY N N 15 107.8395917 0.3958712388 . 1 . . . . . 432 GLY N . 51491 1 160 . 1 . 1 63 63 SER C C 13 174.3260334 0.02135072437 . 1 . . . . . 433 SER C . 51491 1 161 . 1 . 1 63 63 SER CA C 13 57.92043435 0.0121216971 . 1 . . . . . 433 SER CA . 51491 1 162 . 1 . 1 63 63 SER CB C 13 64.64387574 0.02337806571 . 1 . . . . . 433 SER CB . 51491 1 163 . 1 . 1 63 63 SER N N 15 114.5780728 0.05312014227 . 1 . . . . . 433 SER N . 51491 1 164 . 1 . 1 64 64 GLY H H 1 8.377630101 0.01091360997 . 1 . . . . . 434 GLY H . 51491 1 165 . 1 . 1 64 64 GLY CA C 13 44.26759056 0 . 1 . . . . . 434 GLY CA . 51491 1 166 . 1 . 1 64 64 GLY N N 15 109.9284393 0.02790318618 . 1 . . . . . 434 GLY N . 51491 1 167 . 1 . 1 66 66 SER H H 1 8.262193701 0.006144651965 . 1 . . . . . 436 SER H . 51491 1 168 . 1 . 1 66 66 SER C C 13 176.9487383 0 . 1 . . . . . 436 SER C . 51491 1 169 . 1 . 1 66 66 SER N N 15 114.6195209 0.05125624578 . 1 . . . . . 436 SER N . 51491 1 170 . 1 . 1 67 67 THR H H 1 8.586904908 0.006146908234 . 1 . . . . . 437 THR H . 51491 1 171 . 1 . 1 67 67 THR C C 13 174.7761174 0.01600339704 . 1 . . . . . 437 THR C . 51491 1 172 . 1 . 1 67 67 THR N N 15 115.3873442 0.01061318117 . 1 . . . . . 437 THR N . 51491 1 173 . 1 . 1 68 68 THR H H 1 8.31612938 0.005367934608 . 1 . . . . . 438 THR H . 51491 1 174 . 1 . 1 68 68 THR C C 13 174.511617 0.01594301495 . 1 . . . . . 438 THR C . 51491 1 175 . 1 . 1 68 68 THR N N 15 114.9960459 0.01535895367 . 1 . . . . . 438 THR N . 51491 1 176 . 1 . 1 69 69 THR H H 1 8.250595139 0.008469338365 . 1 . . . . . 439 THR H . 51491 1 177 . 1 . 1 69 69 THR C C 13 174.5370181 0 . 1 . . . . . 439 THR C . 51491 1 178 . 1 . 1 69 69 THR N N 15 115.2895766 0.0151847262 . 1 . . . . . 439 THR N . 51491 1 179 . 1 . 1 70 70 THR H H 1 8.320262264 0.003982580702 . 1 . . . . . 440 THR H . 51491 1 180 . 1 . 1 70 70 THR C C 13 174.6251766 0 . 1 . . . . . 440 THR C . 51491 1 181 . 1 . 1 70 70 THR N N 15 115.5604247 0.008629502475 . 1 . . . . . 440 THR N . 51491 1 182 . 1 . 1 71 71 SER C C 13 174.6844601 0 . 1 . . . . . 441 SER C . 51491 1 183 . 1 . 1 72 72 GLY H H 1 8.442770217 0.004451127012 . 1 . . . . . 442 GLY H . 51491 1 184 . 1 . 1 72 72 GLY C C 13 173.4392812 0 . 1 . . . . . 442 GLY C . 51491 1 185 . 1 . 1 72 72 GLY CA C 13 44.75182708 0 . 1 . . . . . 442 GLY CA . 51491 1 186 . 1 . 1 72 72 GLY N N 15 109.9671153 0.008112672379 . 1 . . . . . 442 GLY N . 51491 1 187 . 1 . 1 73 73 ARG H H 1 8.125628228 0.01104002968 . 1 . . . . . 443 ARG H . 51491 1 188 . 1 . 1 73 73 ARG C C 13 173.8929319 0 . 1 . . . . . 443 ARG C . 51491 1 189 . 1 . 1 73 73 ARG N N 15 120.6978392 0.01335850767 . 1 . . . . . 443 ARG N . 51491 1 190 . 1 . 1 74 74 PRO CA C 13 62.7769253 0 . 1 . . . . . 444 PRO CA . 51491 1 191 . 1 . 1 74 74 PRO CB C 13 32.68503034 0 . 1 . . . . . 444 PRO CB . 51491 1 192 . 1 . 1 75 75 LEU H H 1 8.407936775 0.0107864015 . 1 . . . . . 445 LEU H . 51491 1 193 . 1 . 1 75 75 LEU CA C 13 54.74445537 0.05631264897 . 1 . . . . . 445 LEU CA . 51491 1 194 . 1 . 1 75 75 LEU CB C 13 42.89879046 0.02100076997 . 1 . . . . . 445 LEU CB . 51491 1 195 . 1 . 1 75 75 LEU N N 15 121.9932483 0.006730975764 . 1 . . . . . 445 LEU N . 51491 1 196 . 1 . 1 76 76 LEU H H 1 8.261591327 0.005912380406 . 1 . . . . . 446 LEU H . 51491 1 197 . 1 . 1 76 76 LEU CA C 13 54.68814272 0 . 1 . . . . . 446 LEU CA . 51491 1 198 . 1 . 1 76 76 LEU CB C 13 42.91979123 0 . 1 . . . . . 446 LEU CB . 51491 1 199 . 1 . 1 76 76 LEU N N 15 122.8273873 0.01435742313 . 1 . . . . . 446 LEU N . 51491 1 200 . 1 . 1 77 77 ARG H H 1 8.431439033 0.02020279497 . 1 . . . . . 447 ARG H . 51491 1 201 . 1 . 1 77 77 ARG CB C 13 31.26867996 0 . 1 . . . . . 447 ARG CB . 51491 1 202 . 1 . 1 77 77 ARG N N 15 122.5293792 0.126774451 . 1 . . . . . 447 ARG N . 51491 1 203 . 1 . 1 78 78 SER H H 1 8.432546553 0.00731966099 . 1 . . . . . 448 SER H . 51491 1 204 . 1 . 1 78 78 SER N N 15 115.6498743 0.2264397334 . 1 . . . . . 448 SER N . 51491 1 205 . 1 . 1 79 79 MET H H 1 8.436363425 0.00324257643 . 1 . . . . . 449 MET H . 51491 1 206 . 1 . 1 79 79 MET C C 13 176.3374301 0 . 1 . . . . . 449 MET C . 51491 1 207 . 1 . 1 79 79 MET CA C 13 55.58953694 0 . 1 . . . . . 449 MET CA . 51491 1 208 . 1 . 1 79 79 MET CB C 13 33.03600499 0 . 1 . . . . . 449 MET CB . 51491 1 209 . 1 . 1 79 79 MET N N 15 121.5534793 0.008387713786 . 1 . . . . . 449 MET N . 51491 1 210 . 1 . 1 80 80 ARG H H 1 8.287019798 0.01559400327 . 1 . . . . . 450 ARG H . 51491 1 211 . 1 . 1 80 80 ARG C C 13 176.4083161 0.0005294773695 . 1 . . . . . 450 ARG C . 51491 1 212 . 1 . 1 80 80 ARG CA C 13 56.43120793 0 . 1 . . . . . 450 ARG CA . 51491 1 213 . 1 . 1 80 80 ARG CB C 13 31.1762118 0 . 1 . . . . . 450 ARG CB . 51491 1 214 . 1 . 1 80 80 ARG N N 15 120.5760196 0.1181222083 . 1 . . . . . 450 ARG N . 51491 1 215 . 1 . 1 81 81 GLU H H 1 8.396170753 0.02057324207 . 1 . . . . . 451 GLU H . 51491 1 216 . 1 . 1 81 81 GLU C C 13 176.292167 0.004972315217 . 1 . . . . . 451 GLU C . 51491 1 217 . 1 . 1 81 81 GLU CA C 13 56.6151222 0 . 1 . . . . . 451 GLU CA . 51491 1 218 . 1 . 1 81 81 GLU CB C 13 30.69956444 0.04118486369 . 1 . . . . . 451 GLU CB . 51491 1 219 . 1 . 1 81 81 GLU N N 15 120.3770771 0.1217461867 . 1 . . . . . 451 GLU N . 51491 1 220 . 1 . 1 82 82 ALA H H 1 8.284419899 0.005690760719 . 1 . . . . . 452 ALA H . 51491 1 221 . 1 . 1 82 82 ALA C C 13 177.5622995 0.0002553568721 . 1 . . . . . 452 ALA C . 51491 1 222 . 1 . 1 82 82 ALA CA C 13 52.61030197 0.01004056114 . 1 . . . . . 452 ALA CA . 51491 1 223 . 1 . 1 82 82 ALA CB C 13 19.55243606 0.001344099388 . 1 . . . . . 452 ALA CB . 51491 1 224 . 1 . 1 82 82 ALA N N 15 123.442461 0.01376504529 . 1 . . . . . 452 ALA N . 51491 1 225 . 1 . 1 83 83 GLN H H 1 8.225190828 0.00999973494 . 1 . . . . . 453 GLN H . 51491 1 226 . 1 . 1 83 83 GLN C C 13 175.4634058 0.0001201326847 . 1 . . . . . 453 GLN C . 51491 1 227 . 1 . 1 83 83 GLN CA C 13 55.62065245 0.004888550685 . 1 . . . . . 453 GLN CA . 51491 1 228 . 1 . 1 83 83 GLN CB C 13 29.91740858 0.02512109112 . 1 . . . . . 453 GLN CB . 51491 1 229 . 1 . 1 83 83 GLN N N 15 117.8022073 0.1258452132 . 1 . . . . . 453 GLN N . 51491 1 230 . 1 . 1 84 84 PHE H H 1 8.164182302 0.005010258879 . 1 . . . . . 454 PHE H . 51491 1 231 . 1 . 1 84 84 PHE C C 13 175.1302867 0.005474787013 . 1 . . . . . 454 PHE C . 51491 1 232 . 1 . 1 84 84 PHE CA C 13 57.47171661 0 . 1 . . . . . 454 PHE CA . 51491 1 233 . 1 . 1 84 84 PHE CB C 13 40.11488008 0 . 1 . . . . . 454 PHE CB . 51491 1 234 . 1 . 1 84 84 PHE N N 15 119.9026814 0.007077419567 . 1 . . . . . 454 PHE N . 51491 1 235 . 1 . 1 85 85 HIS H H 1 8.173281131 0.004791033511 . 1 . . . . . 455 HIS H . 51491 1 236 . 1 . 1 85 85 HIS C C 13 174.7788671 0 . 1 . . . . . 455 HIS C . 51491 1 237 . 1 . 1 85 85 HIS N N 15 120.7008175 0.03739029834 . 1 . . . . . 455 HIS N . 51491 1 238 . 1 . 1 86 86 SER H H 1 8.231886558 0.005242485082 . 1 . . . . . 456 SER H . 51491 1 239 . 1 . 1 86 86 SER C C 13 173.5829835 0 . 1 . . . . . 456 SER C . 51491 1 240 . 1 . 1 86 86 SER N N 15 116.7013746 0.01523944535 . 1 . . . . . 456 SER N . 51491 1 241 . 1 . 1 87 87 ALA H H 1 8.379669423 0.004732332881 . 1 . . . . . 457 ALA H . 51491 1 242 . 1 . 1 87 87 ALA C C 13 176.6477484 0.001893854088 . 1 . . . . . 457 ALA C . 51491 1 243 . 1 . 1 87 87 ALA CB C 13 19.8878669 0.009662473266 . 1 . . . . . 457 ALA CB . 51491 1 244 . 1 . 1 87 87 ALA N N 15 125.331837 0.06257378399 . 1 . . . . . 457 ALA N . 51491 1 245 . 1 . 1 88 88 ALA H H 1 8.273133322 0.004329627498 . 1 . . . . . 458 ALA H . 51491 1 246 . 1 . 1 88 88 ALA C C 13 174.6648014 0 . 1 . . . . . 458 ALA C . 51491 1 247 . 1 . 1 88 88 ALA CA C 13 50.0480684 0 . 1 . . . . . 458 ALA CA . 51491 1 248 . 1 . 1 88 88 ALA CB C 13 18.50253636 0 . 1 . . . . . 458 ALA CB . 51491 1 249 . 1 . 1 88 88 ALA N N 15 124.2521575 0.00792583193 . 1 . . . . . 458 ALA N . 51491 1 250 . 1 . 1 90 90 PRO C C 13 176.6071059 0 . 1 . . . . . 460 PRO C . 51491 1 251 . 1 . 1 90 90 PRO CA C 13 62.34377466 0 . 1 . . . . . 460 PRO CA . 51491 1 252 . 1 . 1 90 90 PRO CB C 13 32.56095712 0 . 1 . . . . . 460 PRO CB . 51491 1 253 . 1 . 1 91 91 ILE H H 1 8.332472518 0.01585075006 . 1 . . . . . 461 ILE H . 51491 1 254 . 1 . 1 91 91 ILE C C 13 176.1063844 0.002577773033 . 1 . . . . . 461 ILE C . 51491 1 255 . 1 . 1 91 91 ILE CA C 13 60.815119 0.001229101031 . 1 . . . . . 461 ILE CA . 51491 1 256 . 1 . 1 91 91 ILE CB C 13 39.41594122 0.02828500773 . 1 . . . . . 461 ILE CB . 51491 1 257 . 1 . 1 91 91 ILE N N 15 120.4861751 0.03547276583 . 1 . . . . . 461 ILE N . 51491 1 258 . 1 . 1 92 92 SER H H 1 8.411604559 0.005725140794 . 1 . . . . . 462 SER H . 51491 1 259 . 1 . 1 92 92 SER C C 13 173.2761043 0.006571802306 . 1 . . . . . 462 SER C . 51491 1 260 . 1 . 1 92 92 SER CA C 13 57.59164693 0.005085666468 . 1 . . . . . 462 SER CA . 51491 1 261 . 1 . 1 92 92 SER CB C 13 64.44644295 0.01399390736 . 1 . . . . . 462 SER CB . 51491 1 262 . 1 . 1 92 92 SER N N 15 119.6033038 0.0153794233 . 1 . . . . . 462 SER N . 51491 1 263 . 1 . 1 93 93 ALA H H 1 8.416114486 0.006171766388 . 1 . . . . . 463 ALA H . 51491 1 264 . 1 . 1 93 93 ALA C C 13 175.2015079 0 . 1 . . . . . 463 ALA C . 51491 1 265 . 1 . 1 93 93 ALA CA C 13 50.25445546 0 . 1 . . . . . 463 ALA CA . 51491 1 266 . 1 . 1 93 93 ALA CB C 13 18.75762824 0 . 1 . . . . . 463 ALA CB . 51491 1 267 . 1 . 1 93 93 ALA N N 15 126.7397537 0.01120717481 . 1 . . . . . 463 ALA N . 51491 1 268 . 1 . 1 94 94 PRO C C 13 176.4845683 0 . 1 . . . . . 464 PRO C . 51491 1 269 . 1 . 1 94 94 PRO CA C 13 62.8071476 0 . 1 . . . . . 464 PRO CA . 51491 1 270 . 1 . 1 94 94 PRO CB C 13 32.74787165 0 . 1 . . . . . 464 PRO CB . 51491 1 271 . 1 . 1 95 95 ASN H H 1 8.600634686 0.005253178138 . 1 . . . . . 465 ASN H . 51491 1 272 . 1 . 1 95 95 ASN C C 13 175.1178142 0.005526984924 . 1 . . . . . 465 ASN C . 51491 1 273 . 1 . 1 95 95 ASN CA C 13 53.00406035 0.01256936396 . 1 . . . . . 465 ASN CA . 51491 1 274 . 1 . 1 95 95 ASN CB C 13 39.13405035 0.01874862318 . 1 . . . . . 465 ASN CB . 51491 1 275 . 1 . 1 95 95 ASN N N 15 117.6538653 0.01740561406 . 1 . . . . . 465 ASN N . 51491 1 276 . 1 . 1 96 96 GLN H H 1 8.443361601 0.00624129679 . 1 . . . . . 466 GLN H . 51491 1 277 . 1 . 1 96 96 GLN C C 13 175.8172762 0.002088729641 . 1 . . . . . 466 GLN C . 51491 1 278 . 1 . 1 96 96 GLN CA C 13 55.63222705 0.02357048291 . 1 . . . . . 466 GLN CA . 51491 1 279 . 1 . 1 96 96 GLN CB C 13 29.95379145 0.04273931368 . 1 . . . . . 466 GLN CB . 51491 1 280 . 1 . 1 96 96 GLN N N 15 120.145325 0.02025862254 . 1 . . . . . 466 GLN N . 51491 1 281 . 1 . 1 97 97 SER H H 1 8.452362013 0.01651134553 . 1 . . . . . 467 SER H . 51491 1 282 . 1 . 1 97 97 SER C C 13 174.3579275 0.01781365751 . 1 . . . . . 467 SER C . 51491 1 283 . 1 . 1 97 97 SER CA C 13 58.34502701 0.007105524078 . 1 . . . . . 467 SER CA . 51491 1 284 . 1 . 1 97 97 SER CB C 13 64.21749012 0.001421567614 . 1 . . . . . 467 SER CB . 51491 1 285 . 1 . 1 97 97 SER N N 15 116.1788509 0.1421229735 . 1 . . . . . 467 SER N . 51491 1 286 . 1 . 1 98 98 GLN H H 1 8.515940683 0.006542539214 . 1 . . . . . 468 GLN H . 51491 1 287 . 1 . 1 98 98 GLN C C 13 175.9026119 0.002868569911 . 1 . . . . . 468 GLN C . 51491 1 288 . 1 . 1 98 98 GLN CA C 13 55.55266284 0.01081806078 . 1 . . . . . 468 GLN CA . 51491 1 289 . 1 . 1 98 98 GLN CB C 13 29.9916839 0.009311163939 . 1 . . . . . 468 GLN CB . 51491 1 290 . 1 . 1 98 98 GLN N N 15 121.4333028 0.007748537562 . 1 . . . . . 468 GLN N . 51491 1 291 . 1 . 1 99 99 THR H H 1 8.257354377 0.006590565202 . 1 . . . . . 469 THR H . 51491 1 292 . 1 . 1 99 99 THR C C 13 174.2801115 0.003453893979 . 1 . . . . . 469 THR C . 51491 1 293 . 1 . 1 99 99 THR CA C 13 61.64890912 0.008555746566 . 1 . . . . . 469 THR CA . 51491 1 294 . 1 . 1 99 99 THR CB C 13 70.37181658 0.02028006328 . 1 . . . . . 469 THR CB . 51491 1 295 . 1 . 1 99 99 THR N N 15 114.5127156 0.1068262866 . 1 . . . . . 469 THR N . 51491 1 296 . 1 . 1 100 100 SER H H 1 8.399385519 0.01732871387 . 1 . . . . . 470 SER H . 51491 1 297 . 1 . 1 100 100 SER C C 13 174.2620958 0 . 1 . . . . . 470 SER C . 51491 1 298 . 1 . 1 100 100 SER CA C 13 57.96401756 0.01083641775 . 1 . . . . . 470 SER CA . 51491 1 299 . 1 . 1 100 100 SER CB C 13 64.36227344 0.03403159176 . 1 . . . . . 470 SER CB . 51491 1 300 . 1 . 1 100 100 SER N N 15 117.7488948 0.04492286551 . 1 . . . . . 470 SER N . 51491 1 301 . 1 . 1 101 101 VAL H H 1 8.259114512 0.006722196118 . 1 . . . . . 471 VAL H . 51491 1 302 . 1 . 1 101 101 VAL C C 13 176.0958983 0.0008116547248 . 1 . . . . . 471 VAL C . 51491 1 303 . 1 . 1 101 101 VAL CA C 13 62.08213166 0.01955591085 . 1 . . . . . 471 VAL CA . 51491 1 304 . 1 . 1 101 101 VAL CB C 13 33.21587637 0.01421177947 . 1 . . . . . 471 VAL CB . 51491 1 305 . 1 . 1 101 101 VAL N N 15 120.9446009 0.01003468723 . 1 . . . . . 471 VAL N . 51491 1 306 . 1 . 1 102 102 SER H H 1 8.417162044 0.01665736328 . 1 . . . . . 472 SER H . 51491 1 307 . 1 . 1 102 102 SER C C 13 174.1762053 0.00310998327 . 1 . . . . . 472 SER C . 51491 1 308 . 1 . 1 102 102 SER CA C 13 58.13288025 0.0159166598 . 1 . . . . . 472 SER CA . 51491 1 309 . 1 . 1 102 102 SER CB C 13 64.23526559 0.03724899565 . 1 . . . . . 472 SER CB . 51491 1 310 . 1 . 1 102 102 SER N N 15 118.6747674 0.06023622789 . 1 . . . . . 472 SER N . 51491 1 311 . 1 . 1 103 103 GLN H H 1 8.436283912 0.02126889832 . 1 . . . . . 473 GLN H . 51491 1 312 . 1 . 1 103 103 GLN C C 13 175.2989416 0.004196267127 . 1 . . . . . 473 GLN C . 51491 1 313 . 1 . 1 103 103 GLN CA C 13 55.26217591 0.007244214846 . 1 . . . . . 473 GLN CA . 51491 1 314 . 1 . 1 103 103 GLN CB C 13 30.04144213 0.01085806361 . 1 . . . . . 473 GLN CB . 51491 1 315 . 1 . 1 103 103 GLN N N 15 121.7616234 0.007983707651 . 1 . . . . . 473 GLN N . 51491 1 316 . 1 . 1 104 104 LEU H H 1 8.203729276 0.00568293738 . 1 . . . . . 474 LEU H . 51491 1 317 . 1 . 1 104 104 LEU C C 13 176.4147301 0.0126242108 . 1 . . . . . 474 LEU C . 51491 1 318 . 1 . 1 104 104 LEU CA C 13 54.45721945 0.0003019249144 . 1 . . . . . 474 LEU CA . 51491 1 319 . 1 . 1 104 104 LEU CB C 13 43.05196513 0.02347719748 . 1 . . . . . 474 LEU CB . 51491 1 320 . 1 . 1 104 104 LEU N N 15 122.4980662 0.01096569987 . 1 . . . . . 474 LEU N . 51491 1 321 . 1 . 1 105 105 ASP H H 1 8.33210239 0.006658740868 . 1 . . . . . 475 ASP H . 51491 1 322 . 1 . 1 105 105 ASP C C 13 175.0086481 0 . 1 . . . . . 475 ASP C . 51491 1 323 . 1 . 1 105 105 ASP CA C 13 51.68004384 0.04645304639 . 1 . . . . . 475 ASP CA . 51491 1 324 . 1 . 1 105 105 ASP CB C 13 41.92890478 0 . 1 . . . . . 475 ASP CB . 51491 1 325 . 1 . 1 105 105 ASP N N 15 122.780533 0.01683260099 . 1 . . . . . 475 ASP N . 51491 1 326 . 1 . 1 106 106 PRO C C 13 177.2291661 0 . 1 . . . . . 476 PRO C . 51491 1 327 . 1 . 1 106 106 PRO CA C 13 63.53785949 0 . 1 . . . . . 476 PRO CA . 51491 1 328 . 1 . 1 106 106 PRO CB C 13 32.65299568 0 . 1 . . . . . 476 PRO CB . 51491 1 329 . 1 . 1 107 107 ALA H H 1 8.446228231 0.009446822571 . 1 . . . . . 477 ALA H . 51491 1 330 . 1 . 1 107 107 ALA C C 13 178.1574121 0.001064560288 . 1 . . . . . 477 ALA C . 51491 1 331 . 1 . 1 107 107 ALA CA C 13 52.83710768 0.001288194977 . 1 . . . . . 477 ALA CA . 51491 1 332 . 1 . 1 107 107 ALA CB C 13 19.26777424 0.0003047291647 . 1 . . . . . 477 ALA CB . 51491 1 333 . 1 . 1 107 107 ALA N N 15 121.0926329 0.1598052028 . 1 . . . . . 477 ALA N . 51491 1 334 . 1 . 1 108 108 LEU H H 1 7.817256336 0.005146367338 . 1 . . . . . 478 LEU H . 51491 1 335 . 1 . 1 108 108 LEU C C 13 176.9137472 0.004052845217 . 1 . . . . . 478 LEU C . 51491 1 336 . 1 . 1 108 108 LEU CA C 13 54.67597155 0 . 1 . . . . . 478 LEU CA . 51491 1 337 . 1 . 1 108 108 LEU N N 15 117.8514117 0.01412411 . 1 . . . . . 478 LEU N . 51491 1 338 . 1 . 1 109 109 LEU H H 1 7.793274925 0.008217171487 . 1 . . . . . 479 LEU H . 51491 1 339 . 1 . 1 109 109 LEU C C 13 176.5232203 0.0007898519302 . 1 . . . . . 479 LEU C . 51491 1 340 . 1 . 1 109 109 LEU CA C 13 54.71575559 0.006552511799 . 1 . . . . . 479 LEU CA . 51491 1 341 . 1 . 1 109 109 LEU CB C 13 42.77307503 0 . 1 . . . . . 479 LEU CB . 51491 1 342 . 1 . 1 109 109 LEU N N 15 121.0531997 0.01413830842 . 1 . . . . . 479 LEU N . 51491 1 343 . 1 . 1 110 110 ILE H H 1 8.001369927 0.006018692892 . 1 . . . . . 480 ILE H . 51491 1 344 . 1 . 1 110 110 ILE C C 13 175.0126686 0.0006362430179 . 1 . . . . . 480 ILE C . 51491 1 345 . 1 . 1 110 110 ILE CA C 13 60.71676763 0.001215024869 . 1 . . . . . 480 ILE CA . 51491 1 346 . 1 . 1 110 110 ILE CB C 13 38.83682236 0.05535256242 . 1 . . . . . 480 ILE CB . 51491 1 347 . 1 . 1 110 110 ILE N N 15 121.9722079 0.01785123698 . 1 . . . . . 480 ILE N . 51491 1 348 . 1 . 1 111 111 ARG H H 1 8.02132548 0.004718860543 . 1 . . . . . 481 ARG H . 51491 1 349 . 1 . 1 111 111 ARG C C 13 180.59081 0 . 1 . . . . . 481 ARG C . 51491 1 350 . 1 . 1 111 111 ARG CA C 13 56.93814361 0 . 1 . . . . . 481 ARG CA . 51491 1 351 . 1 . 1 111 111 ARG CB C 13 32.20595932 0 . 1 . . . . . 481 ARG CB . 51491 1 352 . 1 . 1 111 111 ARG N N 15 130.3150936 0.0003920842645 . 1 . . . . . 481 ARG N . 51491 1 stop_ save_