data_11601 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11601 _Entry.Title ; pET22-hESRP1-RRM3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-23 _Entry.Accession_date 2015-11-19 _Entry.Last_release_date 2016-01-29 _Entry.Original_release_date 2016-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.93 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Yinshan Yang . . . . 11601 2 Frederic Allemand . . . . 11601 3 Jean-Francois Guichou . . . . 11601 4 Gilles Labesse . . . . 11601 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11601 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID hESRP1-RRM3 . 11601 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11601 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 11601 '15N chemical shifts' 97 11601 '1H chemical shifts' 205 11601 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 . . 2016-01-29 . original BMRB . 11601 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVJ 'BMRB Entry Tracking System' 11601 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11601 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of hESRP1-RRM3 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _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 Yinshan Yang . . . . 11601 1 2 Frederic Allemand . . . . 11601 1 3 Jean-Francois Guichou . . . . 11601 1 4 Gilles Labesse . . . . 11601 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11601 _Assembly.ID 1 _Assembly.Name hESRP1-RRM3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 hESRP1-RRM3 1 $hESRP1-RRM3 A . yes native no no . . . 11601 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hESRP1-RRM3 _Entity.Sf_category entity _Entity.Sf_framecode hESRP1-RRM3 _Entity.Entry_ID 11601 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hESRP1-RRM3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPPTNVRDCIRLRGLPYAAT IEDILDFLGEFATDIRTHGV HMVLNHQGRPSGDAFIQMKS ADRAFMAAQKCHKKNMKDRY VEVFQCSAEEMNFVLMGGTL NRLE ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11834.749 _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 . MET . 11601 1 2 . PRO . 11601 1 3 . PRO . 11601 1 4 441 THR . 11601 1 5 442 ASN . 11601 1 6 443 VAL . 11601 1 7 444 ARG . 11601 1 8 445 ASP . 11601 1 9 446 CYS . 11601 1 10 447 ILE . 11601 1 11 448 ARG . 11601 1 12 449 LEU . 11601 1 13 450 ARG . 11601 1 14 451 GLY . 11601 1 15 452 LEU . 11601 1 16 453 PRO . 11601 1 17 454 TYR . 11601 1 18 455 ALA . 11601 1 19 456 ALA . 11601 1 20 457 THR . 11601 1 21 458 ILE . 11601 1 22 459 GLU . 11601 1 23 460 ASP . 11601 1 24 461 ILE . 11601 1 25 462 LEU . 11601 1 26 463 ASP . 11601 1 27 464 PHE . 11601 1 28 465 LEU . 11601 1 29 466 GLY . 11601 1 30 467 GLU . 11601 1 31 468 PHE . 11601 1 32 469 ALA . 11601 1 33 470 THR . 11601 1 34 471 ASP . 11601 1 35 472 ILE . 11601 1 36 473 ARG . 11601 1 37 474 THR . 11601 1 38 475 HIS . 11601 1 39 476 GLY . 11601 1 40 477 VAL . 11601 1 41 478 HIS . 11601 1 42 479 MET . 11601 1 43 480 VAL . 11601 1 44 481 LEU . 11601 1 45 482 ASN . 11601 1 46 483 HIS . 11601 1 47 484 GLN . 11601 1 48 485 GLY . 11601 1 49 486 ARG . 11601 1 50 487 PRO . 11601 1 51 488 SER . 11601 1 52 489 GLY . 11601 1 53 490 ASP . 11601 1 54 491 ALA . 11601 1 55 492 PHE . 11601 1 56 493 ILE . 11601 1 57 494 GLN . 11601 1 58 495 MET . 11601 1 59 496 LYS . 11601 1 60 497 SER . 11601 1 61 498 ALA . 11601 1 62 499 ASP . 11601 1 63 500 ARG . 11601 1 64 501 ALA . 11601 1 65 502 PHE . 11601 1 66 503 MET . 11601 1 67 504 ALA . 11601 1 68 505 ALA . 11601 1 69 506 GLN . 11601 1 70 507 LYS . 11601 1 71 508 CYS . 11601 1 72 509 HIS . 11601 1 73 510 LYS . 11601 1 74 511 LYS . 11601 1 75 512 ASN . 11601 1 76 513 MET . 11601 1 77 514 LYS . 11601 1 78 515 ASP . 11601 1 79 516 ARG . 11601 1 80 517 TYR . 11601 1 81 518 VAL . 11601 1 82 519 GLU . 11601 1 83 520 VAL . 11601 1 84 521 PHE . 11601 1 85 522 GLN . 11601 1 86 523 CYS . 11601 1 87 524 SER . 11601 1 88 525 ALA . 11601 1 89 526 GLU . 11601 1 90 527 GLU . 11601 1 91 528 MET . 11601 1 92 529 ASN . 11601 1 93 530 PHE . 11601 1 94 531 VAL . 11601 1 95 532 LEU . 11601 1 96 533 MET . 11601 1 97 534 GLY . 11601 1 98 535 GLY . 11601 1 99 536 THR . 11601 1 100 537 LEU . 11601 1 101 538 ASN . 11601 1 102 539 ARG . 11601 1 103 540 LEU . 11601 1 104 541 GLU . 11601 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11601 1 . PRO 2 2 11601 1 . PRO 3 3 11601 1 . THR 4 4 11601 1 . ASN 5 5 11601 1 . VAL 6 6 11601 1 . ARG 7 7 11601 1 . ASP 8 8 11601 1 . CYS 9 9 11601 1 . ILE 10 10 11601 1 . ARG 11 11 11601 1 . LEU 12 12 11601 1 . ARG 13 13 11601 1 . GLY 14 14 11601 1 . LEU 15 15 11601 1 . PRO 16 16 11601 1 . TYR 17 17 11601 1 . ALA 18 18 11601 1 . ALA 19 19 11601 1 . THR 20 20 11601 1 . ILE 21 21 11601 1 . GLU 22 22 11601 1 . ASP 23 23 11601 1 . ILE 24 24 11601 1 . LEU 25 25 11601 1 . ASP 26 26 11601 1 . PHE 27 27 11601 1 . LEU 28 28 11601 1 . GLY 29 29 11601 1 . GLU 30 30 11601 1 . PHE 31 31 11601 1 . ALA 32 32 11601 1 . THR 33 33 11601 1 . ASP 34 34 11601 1 . ILE 35 35 11601 1 . ARG 36 36 11601 1 . THR 37 37 11601 1 . HIS 38 38 11601 1 . GLY 39 39 11601 1 . VAL 40 40 11601 1 . HIS 41 41 11601 1 . MET 42 42 11601 1 . VAL 43 43 11601 1 . LEU 44 44 11601 1 . ASN 45 45 11601 1 . HIS 46 46 11601 1 . GLN 47 47 11601 1 . GLY 48 48 11601 1 . ARG 49 49 11601 1 . PRO 50 50 11601 1 . SER 51 51 11601 1 . GLY 52 52 11601 1 . ASP 53 53 11601 1 . ALA 54 54 11601 1 . PHE 55 55 11601 1 . ILE 56 56 11601 1 . GLN 57 57 11601 1 . MET 58 58 11601 1 . LYS 59 59 11601 1 . SER 60 60 11601 1 . ALA 61 61 11601 1 . ASP 62 62 11601 1 . ARG 63 63 11601 1 . ALA 64 64 11601 1 . PHE 65 65 11601 1 . MET 66 66 11601 1 . ALA 67 67 11601 1 . ALA 68 68 11601 1 . GLN 69 69 11601 1 . LYS 70 70 11601 1 . CYS 71 71 11601 1 . HIS 72 72 11601 1 . LYS 73 73 11601 1 . LYS 74 74 11601 1 . ASN 75 75 11601 1 . MET 76 76 11601 1 . LYS 77 77 11601 1 . ASP 78 78 11601 1 . ARG 79 79 11601 1 . TYR 80 80 11601 1 . VAL 81 81 11601 1 . GLU 82 82 11601 1 . VAL 83 83 11601 1 . PHE 84 84 11601 1 . GLN 85 85 11601 1 . CYS 86 86 11601 1 . SER 87 87 11601 1 . ALA 88 88 11601 1 . GLU 89 89 11601 1 . GLU 90 90 11601 1 . MET 91 91 11601 1 . ASN 92 92 11601 1 . PHE 93 93 11601 1 . VAL 94 94 11601 1 . LEU 95 95 11601 1 . MET 96 96 11601 1 . GLY 97 97 11601 1 . GLY 98 98 11601 1 . THR 99 99 11601 1 . LEU 100 100 11601 1 . ASN 101 101 11601 1 . ARG 102 102 11601 1 . LEU 103 103 11601 1 . GLU 104 104 11601 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 11601 _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 $hESRP1-RRM3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 11601 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 11601 _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 $hESRP1-RRM3 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET22-hESRP1-RRM3 . . . 11601 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11601 _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 hESRP1-RRM3 '[U-99% 13C; U-99% 15N]' . . 1 $hESRP1-RRM3 . protein 0.6 . . mM . . . . 11601 1 2 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11601 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11601 1 4 Na2HPO4/KH2PO4 'natural abundance' . . . . . buffer 20 . . mM . . . . 11601 1 5 NaCl 'natural abundance' . . . . . salt 150 . . mM . . . . 11601 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 11601 _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 'ionic strength' 0.15 . M 11601 1 pH 5.4 . pH 11601 1 pressure 1 . atm 11601 1 temperature 305 . K 11601 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11601 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11601 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11601 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11601 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11601 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11601 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11601 _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 DRX . 700 . . . 11601 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 11601 _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 . . . . . . . . . . . . . . . . 11601 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11601 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11601 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11601 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11601 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11601 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11601 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 11601 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11601 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11601 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11601 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 11601 _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' 1 $sample_1 isotropic 11601 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11601 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 THR HA H 1 4.387 0.01 . 1 . . . A 441 THR HA . 11601 1 2 . 1 1 4 4 THR C C 13 173.85 0.01 . 1 . . . A 441 THR C . 11601 1 3 . 1 1 4 4 THR CA C 13 62.68 0.01 . 1 . . . A 441 THR CA . 11601 1 4 . 1 1 4 4 THR CB C 13 69.73 0.01 . 1 . . . A 441 THR CB . 11601 1 5 . 1 1 5 5 ASN H H 1 8.628 0.01 . 1 . . . A 442 ASN H . 11601 1 6 . 1 1 5 5 ASN HA H 1 4.737 0.01 . 1 . . . A 442 ASN HA . 11601 1 7 . 1 1 5 5 ASN C C 13 174.76 0.01 . 1 . . . A 442 ASN C . 11601 1 8 . 1 1 5 5 ASN CA C 13 53.31 0.01 . 1 . . . A 442 ASN CA . 11601 1 9 . 1 1 5 5 ASN CB C 13 38.69 0.01 . 1 . . . A 442 ASN CB . 11601 1 10 . 1 1 5 5 ASN N N 15 120.78 0.01 . 1 . . . A 442 ASN N . 11601 1 11 . 1 1 6 6 VAL H H 1 8.188 0.01 . 1 . . . A 443 VAL H . 11601 1 12 . 1 1 6 6 VAL HA H 1 4.036 0.01 . 1 . . . A 443 VAL HA . 11601 1 13 . 1 1 6 6 VAL C C 13 176.56 0.01 . 1 . . . A 443 VAL C . 11601 1 14 . 1 1 6 6 VAL CA C 13 62.49 0.01 . 1 . . . A 443 VAL CA . 11601 1 15 . 1 1 6 6 VAL CB C 13 32.64 0.01 . 1 . . . A 443 VAL CB . 11601 1 16 . 1 1 6 6 VAL N N 15 120.80 0.01 . 1 . . . A 443 VAL N . 11601 1 17 . 1 1 7 7 ARG H H 1 8.795 0.01 . 1 . . . A 444 ARG H . 11601 1 18 . 1 1 7 7 ARG HA H 1 4.547 0.01 . 1 . . . A 444 ARG HA . 11601 1 19 . 1 1 7 7 ARG C C 13 174.93 0.01 . 1 . . . A 444 ARG C . 11601 1 20 . 1 1 7 7 ARG CA C 13 55.66 0.01 . 1 . . . A 444 ARG CA . 11601 1 21 . 1 1 7 7 ARG CB C 13 28.64 0.01 . 1 . . . A 444 ARG CB . 11601 1 22 . 1 1 7 7 ARG N N 15 128.43 0.01 . 1 . . . A 444 ARG N . 11601 1 23 . 1 1 8 8 ASP H H 1 8.179 0.01 . 1 . . . A 445 ASP H . 11601 1 24 . 1 1 8 8 ASP HA H 1 4.482 0.01 . 1 . . . A 445 ASP HA . 11601 1 25 . 1 1 8 8 ASP C C 13 174.05 0.01 . 1 . . . A 445 ASP C . 11601 1 26 . 1 1 8 8 ASP CA C 13 52.98 0.01 . 1 . . . A 445 ASP CA . 11601 1 27 . 1 1 8 8 ASP CB C 13 39.75 0.01 . 1 . . . A 445 ASP CB . 11601 1 28 . 1 1 8 8 ASP N N 15 118.41 0.01 . 1 . . . A 445 ASP N . 11601 1 29 . 1 1 9 9 CYS H H 1 8.289 0.01 . 1 . . . A 446 CYS H . 11601 1 30 . 1 1 9 9 CYS HA H 1 5.661 0.01 . 1 . . . A 446 CYS HA . 11601 1 31 . 1 1 9 9 CYS C C 13 174.00 0.01 . 1 . . . A 446 CYS C . 11601 1 32 . 1 1 9 9 CYS CA C 13 57.17 0.01 . 1 . . . A 446 CYS CA . 11601 1 33 . 1 1 9 9 CYS CB C 13 32.05 0.01 . 1 . . . A 446 CYS CB . 11601 1 34 . 1 1 9 9 CYS N N 15 114.76 0.01 . 1 . . . A 446 CYS N . 11601 1 35 . 1 1 10 10 ILE H H 1 9.101 0.01 . 1 . . . A 447 ILE H . 11601 1 36 . 1 1 10 10 ILE HA H 1 5.380 0.01 . 1 . . . A 447 ILE HA . 11601 1 37 . 1 1 10 10 ILE C C 13 173.82 0.01 . 1 . . . A 447 ILE C . 11601 1 38 . 1 1 10 10 ILE CA C 13 59.46 0.01 . 1 . . . A 447 ILE CA . 11601 1 39 . 1 1 10 10 ILE CB C 13 41.51 0.01 . 1 . . . A 447 ILE CB . 11601 1 40 . 1 1 10 10 ILE N N 15 113.13 0.01 . 1 . . . A 447 ILE N . 11601 1 41 . 1 1 11 11 ARG H H 1 9.408 0.01 . 1 . . . A 448 ARG H . 11601 1 42 . 1 1 11 11 ARG HA H 1 4.730 0.01 . 1 . . . A 448 ARG HA . 11601 1 43 . 1 1 11 11 ARG C C 13 174.59 0.01 . 1 . . . A 448 ARG C . 11601 1 44 . 1 1 11 11 ARG CA C 13 53.77 0.01 . 1 . . . A 448 ARG CA . 11601 1 45 . 1 1 11 11 ARG CB C 13 33.55 0.01 . 1 . . . A 448 ARG CB . 11601 1 46 . 1 1 11 11 ARG N N 15 124.31 0.01 . 1 . . . A 448 ARG N . 11601 1 47 . 1 1 12 12 LEU H H 1 9.100 0.01 . 1 . . . A 449 LEU H . 11601 1 48 . 1 1 12 12 LEU HA H 1 5.384 0.01 . 1 . . . A 449 LEU HA . 11601 1 49 . 1 1 12 12 LEU C C 13 175.97 0.01 . 1 . . . A 449 LEU C . 11601 1 50 . 1 1 12 12 LEU CA C 13 53.67 0.01 . 1 . . . A 449 LEU CA . 11601 1 51 . 1 1 12 12 LEU CB C 13 43.05 0.01 . 1 . . . A 449 LEU CB . 11601 1 52 . 1 1 12 12 LEU N N 15 126.88 0.01 . 1 . . . A 449 LEU N . 11601 1 53 . 1 1 13 13 ARG H H 1 8.989 0.01 . 1 . . . A 450 ARG H . 11601 1 54 . 1 1 13 13 ARG HA H 1 5.109 0.01 . 1 . . . A 450 ARG HA . 11601 1 55 . 1 1 13 13 ARG C C 13 175.32 0.01 . 1 . . . A 450 ARG C . 11601 1 56 . 1 1 13 13 ARG CA C 13 55.16 0.01 . 1 . . . A 450 ARG CA . 11601 1 57 . 1 1 13 13 ARG CB C 13 33.98 0.01 . 1 . . . A 450 ARG CB . 11601 1 58 . 1 1 13 13 ARG N N 15 120.28 0.01 . 1 . . . A 450 ARG N . 11601 1 59 . 1 1 14 14 GLY H H 1 8.112 0.01 . 1 . . . A 451 GLY H . 11601 1 60 . 1 1 14 14 GLY HA2 H 1 3.706 0.01 . 2 . . . A 451 GLY HA2 . 11601 1 61 . 1 1 14 14 GLY HA3 H 1 4.374 0.01 . 2 . . . A 451 GLY HA3 . 11601 1 62 . 1 1 14 14 GLY C C 13 175.16 0.01 . 1 . . . A 451 GLY C . 11601 1 63 . 1 1 14 14 GLY CA C 13 45.19 0.01 . 1 . . . A 451 GLY CA . 11601 1 64 . 1 1 14 14 GLY N N 15 112.56 0.01 . 1 . . . A 451 GLY N . 11601 1 65 . 1 1 15 15 LEU H H 1 8.715 0.01 . 1 . . . A 452 LEU H . 11601 1 66 . 1 1 15 15 LEU HA H 1 3.943 0.01 . 1 . . . A 452 LEU HA . 11601 1 67 . 1 1 15 15 LEU CA C 13 53.60 0.01 . 1 . . . A 452 LEU CA . 11601 1 68 . 1 1 15 15 LEU N N 15 119.06 0.01 . 1 . . . A 452 LEU N . 11601 1 69 . 1 1 16 16 PRO HA H 1 4.306 0.01 . 1 . . . A 453 PRO HA . 11601 1 70 . 1 1 16 16 PRO C C 13 177.39 0.01 . 1 . . . A 453 PRO C . 11601 1 71 . 1 1 16 16 PRO CA C 13 62.39 0.01 . 1 . . . A 453 PRO CA . 11601 1 72 . 1 1 16 16 PRO CB C 13 31.61 0.01 . 1 . . . A 453 PRO CB . 11601 1 73 . 1 1 17 17 TYR H H 1 8.264 0.01 . 1 . . . A 454 TYR H . 11601 1 74 . 1 1 17 17 TYR HA H 1 4.153 0.01 . 1 . . . A 454 TYR HA . 11601 1 75 . 1 1 17 17 TYR C C 13 176.81 0.01 . 1 . . . A 454 TYR C . 11601 1 76 . 1 1 17 17 TYR CA C 13 60.11 0.01 . 1 . . . A 454 TYR CA . 11601 1 77 . 1 1 17 17 TYR CB C 13 37.70 0.01 . 1 . . . A 454 TYR CB . 11601 1 78 . 1 1 17 17 TYR N N 15 123.76 0.01 . 1 . . . A 454 TYR N . 11601 1 79 . 1 1 18 18 ALA H H 1 8.092 0.01 . 1 . . . A 455 ALA H . 11601 1 80 . 1 1 18 18 ALA HA H 1 4.169 0.01 . 1 . . . A 455 ALA HA . 11601 1 81 . 1 1 18 18 ALA C C 13 177.12 0.01 . 1 . . . A 455 ALA C . 11601 1 82 . 1 1 18 18 ALA CA C 13 51.72 0.01 . 1 . . . A 455 ALA CA . 11601 1 83 . 1 1 18 18 ALA CB C 13 18.05 0.01 . 1 . . . A 455 ALA CB . 11601 1 84 . 1 1 18 18 ALA N N 15 119.70 0.01 . 1 . . . A 455 ALA N . 11601 1 85 . 1 1 19 19 ALA H H 1 7.311 0.01 . 1 . . . A 456 ALA H . 11601 1 86 . 1 1 19 19 ALA HA H 1 4.369 0.01 . 1 . . . A 456 ALA HA . 11601 1 87 . 1 1 19 19 ALA C C 13 177.58 0.01 . 1 . . . A 456 ALA C . 11601 1 88 . 1 1 19 19 ALA CA C 13 53.08 0.01 . 1 . . . A 456 ALA CA . 11601 1 89 . 1 1 19 19 ALA CB C 13 19.14 0.01 . 1 . . . A 456 ALA CB . 11601 1 90 . 1 1 19 19 ALA N N 15 120.81 0.01 . 1 . . . A 456 ALA N . 11601 1 91 . 1 1 20 20 THR H H 1 8.932 0.01 . 1 . . . A 457 THR H . 11601 1 92 . 1 1 20 20 THR HA H 1 4.679 0.01 . 1 . . . A 457 THR HA . 11601 1 93 . 1 1 20 20 THR C C 13 176.06 0.01 . 1 . . . A 457 THR C . 11601 1 94 . 1 1 20 20 THR CA C 13 59.34 0.01 . 1 . . . A 457 THR CA . 11601 1 95 . 1 1 20 20 THR CB C 13 72.91 0.01 . 1 . . . A 457 THR CB . 11601 1 96 . 1 1 20 20 THR N N 15 113.21 0.01 . 1 . . . A 457 THR N . 11601 1 97 . 1 1 21 21 ILE H H 1 8.672 0.01 . 1 . . . A 458 ILE H . 11601 1 98 . 1 1 21 21 ILE HA H 1 3.677 0.01 . 1 . . . A 458 ILE HA . 11601 1 99 . 1 1 21 21 ILE C C 13 177.37 0.01 . 1 . . . A 458 ILE C . 11601 1 100 . 1 1 21 21 ILE CA C 13 64.91 0.01 . 1 . . . A 458 ILE CA . 11601 1 101 . 1 1 21 21 ILE CB C 13 37.10 0.01 . 1 . . . A 458 ILE CB . 11601 1 102 . 1 1 21 21 ILE N N 15 119.80 0.01 . 1 . . . A 458 ILE N . 11601 1 103 . 1 1 22 22 GLU H H 1 8.362 0.01 . 1 . . . A 459 GLU H . 11601 1 104 . 1 1 22 22 GLU HA H 1 3.848 0.01 . 1 . . . A 459 GLU HA . 11601 1 105 . 1 1 22 22 GLU C C 13 179.06 0.01 . 1 . . . A 459 GLU C . 11601 1 106 . 1 1 22 22 GLU CA C 13 61.20 0.01 . 1 . . . A 459 GLU CA . 11601 1 107 . 1 1 22 22 GLU CB C 13 28.41 0.01 . 1 . . . A 459 GLU CB . 11601 1 108 . 1 1 22 22 GLU N N 15 119.45 0.01 . 1 . . . A 459 GLU N . 11601 1 109 . 1 1 23 23 ASP H H 1 7.742 0.01 . 1 . . . A 460 ASP H . 11601 1 110 . 1 1 23 23 ASP HA H 1 4.365 0.01 . 1 . . . A 460 ASP HA . 11601 1 111 . 1 1 23 23 ASP C C 13 179.69 0.01 . 1 . . . A 460 ASP C . 11601 1 112 . 1 1 23 23 ASP CA C 13 57.76 0.01 . 1 . . . A 460 ASP CA . 11601 1 113 . 1 1 23 23 ASP CB C 13 41.13 0.01 . 1 . . . A 460 ASP CB . 11601 1 114 . 1 1 23 23 ASP N N 15 119.39 0.01 . 1 . . . A 460 ASP N . 11601 1 115 . 1 1 24 24 ILE H H 1 7.826 0.01 . 1 . . . A 461 ILE H . 11601 1 116 . 1 1 24 24 ILE HA H 1 3.406 0.01 . 1 . . . A 461 ILE HA . 11601 1 117 . 1 1 24 24 ILE C C 13 177.00 0.01 . 1 . . . A 461 ILE C . 11601 1 118 . 1 1 24 24 ILE CA C 13 65.93 0.01 . 1 . . . A 461 ILE CA . 11601 1 119 . 1 1 24 24 ILE CB C 13 37.37 0.01 . 1 . . . A 461 ILE CB . 11601 1 120 . 1 1 24 24 ILE N N 15 122.13 0.01 . 1 . . . A 461 ILE N . 11601 1 121 . 1 1 25 25 LEU H H 1 8.542 0.01 . 1 . . . A 462 LEU H . 11601 1 122 . 1 1 25 25 LEU HA H 1 3.938 0.01 . 1 . . . A 462 LEU HA . 11601 1 123 . 1 1 25 25 LEU C C 13 180.21 0.01 . 1 . . . A 462 LEU C . 11601 1 124 . 1 1 25 25 LEU CA C 13 58.84 0.01 . 1 . . . A 462 LEU CA . 11601 1 125 . 1 1 25 25 LEU CB C 13 40.46 0.01 . 1 . . . A 462 LEU CB . 11601 1 126 . 1 1 25 25 LEU N N 15 120.06 0.01 . 1 . . . A 462 LEU N . 11601 1 127 . 1 1 26 26 ASP H H 1 8.081 0.01 . 1 . . . A 463 ASP H . 11601 1 128 . 1 1 26 26 ASP HA H 1 4.360 0.01 . 1 . . . A 463 ASP HA . 11601 1 129 . 1 1 26 26 ASP C C 13 178.87 0.01 . 1 . . . A 463 ASP C . 11601 1 130 . 1 1 26 26 ASP CA C 13 57.56 0.01 . 1 . . . A 463 ASP CA . 11601 1 131 . 1 1 26 26 ASP CB C 13 41.14 0.01 . 1 . . . A 463 ASP CB . 11601 1 132 . 1 1 26 26 ASP N N 15 119.30 0.01 . 1 . . . A 463 ASP N . 11601 1 133 . 1 1 27 27 PHE H H 1 8.001 0.01 . 1 . . . A 464 PHE H . 11601 1 134 . 1 1 27 27 PHE HA H 1 4.241 0.01 . 1 . . . A 464 PHE HA . 11601 1 135 . 1 1 27 27 PHE C C 13 176.37 0.01 . 1 . . . A 464 PHE C . 11601 1 136 . 1 1 27 27 PHE CA C 13 60.90 0.01 . 1 . . . A 464 PHE CA . 11601 1 137 . 1 1 27 27 PHE CB C 13 40.12 0.01 . 1 . . . A 464 PHE CB . 11601 1 138 . 1 1 27 27 PHE N N 15 122.22 0.01 . 1 . . . A 464 PHE N . 11601 1 139 . 1 1 28 28 LEU H H 1 8.049 0.01 . 1 . . . A 465 LEU H . 11601 1 140 . 1 1 28 28 LEU HA H 1 4.194 0.01 . 1 . . . A 465 LEU HA . 11601 1 141 . 1 1 28 28 LEU C C 13 179.09 0.01 . 1 . . . A 465 LEU C . 11601 1 142 . 1 1 28 28 LEU CA C 13 55.83 0.01 . 1 . . . A 465 LEU CA . 11601 1 143 . 1 1 28 28 LEU CB C 13 42.86 0.01 . 1 . . . A 465 LEU CB . 11601 1 144 . 1 1 28 28 LEU N N 15 117.52 0.01 . 1 . . . A 465 LEU N . 11601 1 145 . 1 1 29 29 GLY H H 1 7.714 0.01 . 1 . . . A 466 GLY H . 11601 1 146 . 1 1 29 29 GLY HA2 H 1 3.780 0.01 . 2 . . . A 466 GLY HA2 . 11601 1 147 . 1 1 29 29 GLY HA3 H 1 3.780 0.01 . 2 . . . A 466 GLY HA3 . 11601 1 148 . 1 1 29 29 GLY C C 13 177.20 0.01 . 1 . . . A 466 GLY C . 11601 1 149 . 1 1 29 29 GLY CA C 13 47.39 0.01 . 1 . . . A 466 GLY CA . 11601 1 150 . 1 1 29 29 GLY N N 15 108.16 0.01 . 1 . . . A 466 GLY N . 11601 1 151 . 1 1 30 30 GLU H H 1 9.565 0.01 . 1 . . . A 467 GLU H . 11601 1 152 . 1 1 30 30 GLU HA H 1 4.084 0.01 . 1 . . . A 467 GLU HA . 11601 1 153 . 1 1 30 30 GLU C C 13 176.56 0.01 . 1 . . . A 467 GLU C . 11601 1 154 . 1 1 30 30 GLU CA C 13 58.29 0.01 . 1 . . . A 467 GLU CA . 11601 1 155 . 1 1 30 30 GLU CB C 13 28.55 0.01 . 1 . . . A 467 GLU CB . 11601 1 156 . 1 1 30 30 GLU N N 15 128.85 0.01 . 1 . . . A 467 GLU N . 11601 1 157 . 1 1 31 31 PHE H H 1 7.811 0.01 . 1 . . . A 468 PHE H . 11601 1 158 . 1 1 31 31 PHE HA H 1 4.718 0.01 . 1 . . . A 468 PHE HA . 11601 1 159 . 1 1 31 31 PHE C C 13 176.90 0.01 . 1 . . . A 468 PHE C . 11601 1 160 . 1 1 31 31 PHE CA C 13 58.84 0.01 . 1 . . . A 468 PHE CA . 11601 1 161 . 1 1 31 31 PHE CB C 13 38.22 0.01 . 1 . . . A 468 PHE CB . 11601 1 162 . 1 1 31 31 PHE N N 15 117.06 0.01 . 1 . . . A 468 PHE N . 11601 1 163 . 1 1 32 32 ALA H H 1 7.965 0.01 . 1 . . . A 469 ALA H . 11601 1 164 . 1 1 32 32 ALA HA H 1 3.980 0.01 . 1 . . . A 469 ALA HA . 11601 1 165 . 1 1 32 32 ALA C C 13 179.46 0.01 . 1 . . . A 469 ALA C . 11601 1 166 . 1 1 32 32 ALA CA C 13 55.16 0.01 . 1 . . . A 469 ALA CA . 11601 1 167 . 1 1 32 32 ALA CB C 13 18.50 0.01 . 1 . . . A 469 ALA CB . 11601 1 168 . 1 1 32 32 ALA N N 15 122.52 0.01 . 1 . . . A 469 ALA N . 11601 1 169 . 1 1 33 33 THR H H 1 7.347 0.01 . 1 . . . A 470 THR H . 11601 1 170 . 1 1 33 33 THR HA H 1 4.194 0.01 . 1 . . . A 470 THR HA . 11601 1 171 . 1 1 33 33 THR C C 13 174.60 0.01 . 1 . . . A 470 THR C . 11601 1 172 . 1 1 33 33 THR CA C 13 62.97 0.01 . 1 . . . A 470 THR CA . 11601 1 173 . 1 1 33 33 THR CB C 13 68.69 0.01 . 1 . . . A 470 THR CB . 11601 1 174 . 1 1 33 33 THR N N 15 106.44 0.01 . 1 . . . A 470 THR N . 11601 1 175 . 1 1 34 34 ASP H H 1 7.680 0.01 . 1 . . . A 471 ASP H . 11601 1 176 . 1 1 34 34 ASP HA H 1 4.865 0.01 . 1 . . . A 471 ASP HA . 11601 1 177 . 1 1 34 34 ASP C C 13 174.63 0.01 . 1 . . . A 471 ASP C . 11601 1 178 . 1 1 34 34 ASP CA C 13 54.88 0.01 . 1 . . . A 471 ASP CA . 11601 1 179 . 1 1 34 34 ASP CB C 13 43.08 0.01 . 1 . . . A 471 ASP CB . 11601 1 180 . 1 1 34 34 ASP N N 15 119.59 0.01 . 1 . . . A 471 ASP N . 11601 1 181 . 1 1 35 35 ILE H H 1 6.951 0.01 . 1 . . . A 472 ILE H . 11601 1 182 . 1 1 35 35 ILE HA H 1 4.287 0.01 . 1 . . . A 472 ILE HA . 11601 1 183 . 1 1 35 35 ILE C C 13 177.01 0.01 . 1 . . . A 472 ILE C . 11601 1 184 . 1 1 35 35 ILE CA C 13 62.36 0.01 . 1 . . . A 472 ILE CA . 11601 1 185 . 1 1 35 35 ILE CB C 13 39.39 0.01 . 1 . . . A 472 ILE CB . 11601 1 186 . 1 1 35 35 ILE N N 15 119.72 0.01 . 1 . . . A 472 ILE N . 11601 1 187 . 1 1 36 36 ARG H H 1 8.583 0.01 . 1 . . . A 473 ARG H . 11601 1 188 . 1 1 36 36 ARG HA H 1 4.194 0.01 . 1 . . . A 473 ARG HA . 11601 1 189 . 1 1 36 36 ARG C C 13 176.27 0.01 . 1 . . . A 473 ARG C . 11601 1 190 . 1 1 36 36 ARG CA C 13 56.78 0.01 . 1 . . . A 473 ARG CA . 11601 1 191 . 1 1 36 36 ARG CB C 13 31.22 0.01 . 1 . . . A 473 ARG CB . 11601 1 192 . 1 1 36 36 ARG N N 15 126.02 0.01 . 1 . . . A 473 ARG N . 11601 1 193 . 1 1 37 37 THR H H 1 8.330 0.01 . 1 . . . A 474 THR H . 11601 1 194 . 1 1 37 37 THR HA H 1 3.876 0.01 . 1 . . . A 474 THR HA . 11601 1 195 . 1 1 37 37 THR C C 13 175.43 0.01 . 1 . . . A 474 THR C . 11601 1 196 . 1 1 37 37 THR CA C 13 64.58 0.01 . 1 . . . A 474 THR CA . 11601 1 197 . 1 1 37 37 THR CB C 13 68.65 0.01 . 1 . . . A 474 THR CB . 11601 1 198 . 1 1 37 37 THR N N 15 118.79 0.01 . 1 . . . A 474 THR N . 11601 1 199 . 1 1 38 38 HIS H H 1 9.191 0.01 . 1 . . . A 475 HIS H . 11601 1 200 . 1 1 38 38 HIS HA H 1 4.461 0.01 . 1 . . . A 475 HIS HA . 11601 1 201 . 1 1 38 38 HIS C C 13 176.10 0.01 . 1 . . . A 475 HIS C . 11601 1 202 . 1 1 38 38 HIS CA C 13 56.61 0.01 . 1 . . . A 475 HIS CA . 11601 1 203 . 1 1 38 38 HIS CB C 13 26.63 0.01 . 1 . . . A 475 HIS CB . 11601 1 204 . 1 1 38 38 HIS N N 15 120.89 0.01 . 1 . . . A 475 HIS N . 11601 1 205 . 1 1 39 39 GLY H H 1 7.935 0.01 . 1 . . . A 476 GLY H . 11601 1 206 . 1 1 39 39 GLY HA2 H 1 3.730 0.01 . 2 . . . A 476 GLY HA2 . 11601 1 207 . 1 1 39 39 GLY HA3 H 1 4.344 0.01 . 2 . . . A 476 GLY HA3 . 11601 1 208 . 1 1 39 39 GLY C C 13 173.52 0.01 . 1 . . . A 476 GLY C . 11601 1 209 . 1 1 39 39 GLY CA C 13 46.48 0.01 . 1 . . . A 476 GLY CA . 11601 1 210 . 1 1 39 39 GLY N N 15 103.72 0.01 . 1 . . . A 476 GLY N . 11601 1 211 . 1 1 40 40 VAL H H 1 7.804 0.01 . 1 . . . A 477 VAL H . 11601 1 212 . 1 1 40 40 VAL HA H 1 4.355 0.01 . 1 . . . A 477 VAL HA . 11601 1 213 . 1 1 40 40 VAL C C 13 175.25 0.01 . 1 . . . A 477 VAL C . 11601 1 214 . 1 1 40 40 VAL CA C 13 62.60 0.01 . 1 . . . A 477 VAL CA . 11601 1 215 . 1 1 40 40 VAL CB C 13 31.78 0.01 . 1 . . . A 477 VAL CB . 11601 1 216 . 1 1 40 40 VAL N N 15 119.10 0.01 . 1 . . . A 477 VAL N . 11601 1 217 . 1 1 41 41 HIS H H 1 9.296 0.01 . 1 . . . A 478 HIS H . 11601 1 218 . 1 1 41 41 HIS HA H 1 5.005 0.01 . 1 . . . A 478 HIS HA . 11601 1 219 . 1 1 41 41 HIS C C 13 174.20 0.01 . 1 . . . A 478 HIS C . 11601 1 220 . 1 1 41 41 HIS CA C 13 53.57 0.01 . 1 . . . A 478 HIS CA . 11601 1 221 . 1 1 41 41 HIS CB C 13 30.52 0.01 . 1 . . . A 478 HIS CB . 11601 1 222 . 1 1 41 41 HIS N N 15 125.43 0.01 . 1 . . . A 478 HIS N . 11601 1 223 . 1 1 42 42 MET H H 1 9.073 0.01 . 1 . . . A 479 MET H . 11601 1 224 . 1 1 42 42 MET HA H 1 4.534 0.01 . 1 . . . A 479 MET HA . 11601 1 225 . 1 1 42 42 MET C C 13 175.77 0.01 . 1 . . . A 479 MET C . 11601 1 226 . 1 1 42 42 MET CA C 13 55.57 0.01 . 1 . . . A 479 MET CA . 11601 1 227 . 1 1 42 42 MET CB C 13 32.09 0.01 . 1 . . . A 479 MET CB . 11601 1 228 . 1 1 42 42 MET N N 15 124.71 0.01 . 1 . . . A 479 MET N . 11601 1 229 . 1 1 43 43 VAL H H 1 7.848 0.01 . 1 . . . A 480 VAL H . 11601 1 230 . 1 1 43 43 VAL HA H 1 4.140 0.01 . 1 . . . A 480 VAL HA . 11601 1 231 . 1 1 43 43 VAL C C 13 175.95 0.01 . 1 . . . A 480 VAL C . 11601 1 232 . 1 1 43 43 VAL CA C 13 63.11 0.01 . 1 . . . A 480 VAL CA . 11601 1 233 . 1 1 43 43 VAL CB C 13 31.50 0.01 . 1 . . . A 480 VAL CB . 11601 1 234 . 1 1 43 43 VAL N N 15 123.63 0.01 . 1 . . . A 480 VAL N . 11601 1 235 . 1 1 44 44 LEU H H 1 8.876 0.01 . 1 . . . A 481 LEU H . 11601 1 236 . 1 1 44 44 LEU HA H 1 4.905 0.01 . 1 . . . A 481 LEU HA . 11601 1 237 . 1 1 44 44 LEU C C 13 177.31 0.01 . 1 . . . A 481 LEU C . 11601 1 238 . 1 1 44 44 LEU CA C 13 53.42 0.01 . 1 . . . A 481 LEU CA . 11601 1 239 . 1 1 44 44 LEU CB C 13 43.32 0.01 . 1 . . . A 481 LEU CB . 11601 1 240 . 1 1 44 44 LEU N N 15 130.63 0.01 . 1 . . . A 481 LEU N . 11601 1 241 . 1 1 45 45 ASN H H 1 9.012 0.01 . 1 . . . A 482 ASN H . 11601 1 242 . 1 1 45 45 ASN HA H 1 4.788 0.01 . 1 . . . A 482 ASN HA . 11601 1 243 . 1 1 45 45 ASN CA C 13 51.07 0.01 . 1 . . . A 482 ASN CA . 11601 1 244 . 1 1 45 45 ASN N N 15 119.22 0.01 . 1 . . . A 482 ASN N . 11601 1 245 . 1 1 46 46 HIS HA H 1 4.480 0.01 . 1 . . . A 483 HIS HA . 11601 1 246 . 1 1 46 46 HIS C C 13 175.70 0.01 . 1 . . . A 483 HIS C . 11601 1 247 . 1 1 46 46 HIS CA C 13 58.31 0.01 . 1 . . . A 483 HIS CA . 11601 1 248 . 1 1 46 46 HIS CB C 13 28.71 0.01 . 1 . . . A 483 HIS CB . 11601 1 249 . 1 1 47 47 GLN H H 1 7.729 0.01 . 1 . . . A 484 GLN H . 11601 1 250 . 1 1 47 47 GLN HA H 1 4.398 0.01 . 1 . . . A 484 GLN HA . 11601 1 251 . 1 1 47 47 GLN C C 13 176.08 0.01 . 1 . . . A 484 GLN C . 11601 1 252 . 1 1 47 47 GLN CA C 13 55.86 0.01 . 1 . . . A 484 GLN CA . 11601 1 253 . 1 1 47 47 GLN CB C 13 28.82 0.01 . 1 . . . A 484 GLN CB . 11601 1 254 . 1 1 47 47 GLN N N 15 116.70 0.01 . 1 . . . A 484 GLN N . 11601 1 255 . 1 1 48 48 GLY H H 1 8.209 0.01 . 1 . . . A 485 GLY H . 11601 1 256 . 1 1 48 48 GLY HA2 H 1 3.669 0.01 . 2 . . . A 485 GLY HA2 . 11601 1 257 . 1 1 48 48 GLY HA3 H 1 4.167 0.01 . 2 . . . A 485 GLY HA3 . 11601 1 258 . 1 1 48 48 GLY C C 13 173.60 0.01 . 1 . . . A 485 GLY C . 11601 1 259 . 1 1 48 48 GLY CA C 13 46.01 0.01 . 1 . . . A 485 GLY CA . 11601 1 260 . 1 1 48 48 GLY N N 15 107.61 0.01 . 1 . . . A 485 GLY N . 11601 1 261 . 1 1 49 49 ARG H H 1 7.698 0.01 . 1 . . . A 486 ARG H . 11601 1 262 . 1 1 49 49 ARG HA H 1 4.805 0.01 . 1 . . . A 486 ARG HA . 11601 1 263 . 1 1 49 49 ARG CA C 13 52.86 0.01 . 1 . . . A 486 ARG CA . 11601 1 264 . 1 1 49 49 ARG N N 15 119.76 0.01 . 1 . . . A 486 ARG N . 11601 1 265 . 1 1 50 50 PRO HA H 1 4.495 0.01 . 1 . . . A 487 PRO HA . 11601 1 266 . 1 1 50 50 PRO C C 13 176.94 0.01 . 1 . . . A 487 PRO C . 11601 1 267 . 1 1 50 50 PRO CA C 13 64.24 0.01 . 1 . . . A 487 PRO CA . 11601 1 268 . 1 1 50 50 PRO CB C 13 32.48 0.01 . 1 . . . A 487 PRO CB . 11601 1 269 . 1 1 51 51 SER H H 1 8.465 0.01 . 1 . . . A 488 SER H . 11601 1 270 . 1 1 51 51 SER HA H 1 4.502 0.01 . 1 . . . A 488 SER HA . 11601 1 271 . 1 1 51 51 SER C C 13 175.94 0.01 . 1 . . . A 488 SER C . 11601 1 272 . 1 1 51 51 SER CA C 13 59.30 0.01 . 1 . . . A 488 SER CA . 11601 1 273 . 1 1 51 51 SER CB C 13 66.05 0.01 . 1 . . . A 488 SER CB . 11601 1 274 . 1 1 51 51 SER N N 15 117.14 0.01 . 1 . . . A 488 SER N . 11601 1 275 . 1 1 52 52 GLY H H 1 8.857 0.01 . 1 . . . A 489 GLY H . 11601 1 276 . 1 1 52 52 GLY HA2 H 1 3.771 0.01 . 2 . . . A 489 GLY HA2 . 11601 1 277 . 1 1 52 52 GLY HA3 H 1 4.590 0.01 . 2 . . . A 489 GLY HA3 . 11601 1 278 . 1 1 52 52 GLY C C 13 172.27 0.01 . 1 . . . A 489 GLY C . 11601 1 279 . 1 1 52 52 GLY CA C 13 45.71 0.01 . 1 . . . A 489 GLY CA . 11601 1 280 . 1 1 52 52 GLY N N 15 112.60 0.01 . 1 . . . A 489 GLY N . 11601 1 281 . 1 1 53 53 ASP H H 1 7.800 0.01 . 1 . . . A 490 ASP H . 11601 1 282 . 1 1 53 53 ASP HA H 1 5.928 0.01 . 1 . . . A 490 ASP HA . 11601 1 283 . 1 1 53 53 ASP C C 13 176.90 0.01 . 1 . . . A 490 ASP C . 11601 1 284 . 1 1 53 53 ASP CA C 13 52.12 0.01 . 1 . . . A 490 ASP CA . 11601 1 285 . 1 1 53 53 ASP CB C 13 43.60 0.01 . 1 . . . A 490 ASP CB . 11601 1 286 . 1 1 53 53 ASP N N 15 118.69 0.01 . 1 . . . A 490 ASP N . 11601 1 287 . 1 1 54 54 ALA H H 1 8.707 0.01 . 1 . . . A 491 ALA H . 11601 1 288 . 1 1 54 54 ALA HA H 1 5.019 0.01 . 1 . . . A 491 ALA HA . 11601 1 289 . 1 1 54 54 ALA C C 13 174.75 0.01 . 1 . . . A 491 ALA C . 11601 1 290 . 1 1 54 54 ALA CA C 13 51.76 0.01 . 1 . . . A 491 ALA CA . 11601 1 291 . 1 1 54 54 ALA CB C 13 23.46 0.01 . 1 . . . A 491 ALA CB . 11601 1 292 . 1 1 54 54 ALA N N 15 120.32 0.01 . 1 . . . A 491 ALA N . 11601 1 293 . 1 1 55 55 PHE H H 1 9.152 0.01 . 1 . . . A 492 PHE H . 11601 1 294 . 1 1 55 55 PHE HA H 1 5.664 0.01 . 1 . . . A 492 PHE HA . 11601 1 295 . 1 1 55 55 PHE C C 13 174.69 0.01 . 1 . . . A 492 PHE C . 11601 1 296 . 1 1 55 55 PHE CA C 13 57.00 0.01 . 1 . . . A 492 PHE CA . 11601 1 297 . 1 1 55 55 PHE CB C 13 45.03 0.01 . 1 . . . A 492 PHE CB . 11601 1 298 . 1 1 55 55 PHE N N 15 117.31 0.01 . 1 . . . A 492 PHE N . 11601 1 299 . 1 1 56 56 ILE H H 1 9.470 0.01 . 1 . . . A 493 ILE H . 11601 1 300 . 1 1 56 56 ILE HA H 1 5.274 0.01 . 1 . . . A 493 ILE HA . 11601 1 301 . 1 1 56 56 ILE C C 13 175.20 0.01 . 1 . . . A 493 ILE C . 11601 1 302 . 1 1 56 56 ILE CA C 13 59.39 0.01 . 1 . . . A 493 ILE CA . 11601 1 303 . 1 1 56 56 ILE CB C 13 40.40 0.01 . 1 . . . A 493 ILE CB . 11601 1 304 . 1 1 56 56 ILE N N 15 121.30 0.01 . 1 . . . A 493 ILE N . 11601 1 305 . 1 1 57 57 GLN H H 1 9.185 0.01 . 1 . . . A 494 GLN H . 11601 1 306 . 1 1 57 57 GLN HA H 1 5.017 0.01 . 1 . . . A 494 GLN HA . 11601 1 307 . 1 1 57 57 GLN C C 13 174.89 0.01 . 1 . . . A 494 GLN C . 11601 1 308 . 1 1 57 57 GLN CA C 13 55.63 0.01 . 1 . . . A 494 GLN CA . 11601 1 309 . 1 1 57 57 GLN CB C 13 30.23 0.01 . 1 . . . A 494 GLN CB . 11601 1 310 . 1 1 57 57 GLN N N 15 127.75 0.01 . 1 . . . A 494 GLN N . 11601 1 311 . 1 1 58 58 MET H H 1 9.038 0.01 . 1 . . . A 495 MET H . 11601 1 312 . 1 1 58 58 MET HA H 1 5.314 0.01 . 1 . . . A 495 MET HA . 11601 1 313 . 1 1 58 58 MET C C 13 178.00 0.01 . 1 . . . A 495 MET C . 11601 1 314 . 1 1 58 58 MET CA C 13 53.41 0.01 . 1 . . . A 495 MET CA . 11601 1 315 . 1 1 58 58 MET CB C 13 33.26 0.01 . 1 . . . A 495 MET CB . 11601 1 316 . 1 1 58 58 MET N N 15 123.73 0.01 . 1 . . . A 495 MET N . 11601 1 317 . 1 1 59 59 LYS H H 1 8.678 0.01 . 1 . . . A 496 LYS H . 11601 1 318 . 1 1 59 59 LYS HA H 1 3.950 0.01 . 1 . . . A 496 LYS HA . 11601 1 319 . 1 1 59 59 LYS C C 13 175.99 0.01 . 1 . . . A 496 LYS C . 11601 1 320 . 1 1 59 59 LYS CA C 13 59.30 0.01 . 1 . . . A 496 LYS CA . 11601 1 321 . 1 1 59 59 LYS CB C 13 33.77 0.01 . 1 . . . A 496 LYS CB . 11601 1 322 . 1 1 59 59 LYS N N 15 116.07 0.01 . 1 . . . A 496 LYS N . 11601 1 323 . 1 1 60 60 SER H H 1 7.298 0.01 . 1 . . . A 497 SER H . 11601 1 324 . 1 1 60 60 SER HA H 1 4.847 0.01 . 1 . . . A 497 SER HA . 11601 1 325 . 1 1 60 60 SER C C 13 174.47 0.01 . 1 . . . A 497 SER C . 11601 1 326 . 1 1 60 60 SER CA C 13 56.71 0.01 . 1 . . . A 497 SER CA . 11601 1 327 . 1 1 60 60 SER CB C 13 65.88 0.01 . 1 . . . A 497 SER CB . 11601 1 328 . 1 1 60 60 SER N N 15 106.55 0.01 . 1 . . . A 497 SER N . 11601 1 329 . 1 1 61 61 ALA H H 1 9.426 0.01 . 1 . . . A 498 ALA H . 11601 1 330 . 1 1 61 61 ALA HA H 1 4.369 0.01 . 1 . . . A 498 ALA HA . 11601 1 331 . 1 1 61 61 ALA C C 13 178.95 0.01 . 1 . . . A 498 ALA C . 11601 1 332 . 1 1 61 61 ALA CA C 13 54.97 0.01 . 1 . . . A 498 ALA CA . 11601 1 333 . 1 1 61 61 ALA CB C 13 18.68 0.01 . 1 . . . A 498 ALA CB . 11601 1 334 . 1 1 61 61 ALA N N 15 125.70 0.01 . 1 . . . A 498 ALA N . 11601 1 335 . 1 1 62 62 ASP H H 1 8.464 0.01 . 1 . . . A 499 ASP H . 11601 1 336 . 1 1 62 62 ASP HA H 1 4.518 0.01 . 1 . . . A 499 ASP HA . 11601 1 337 . 1 1 62 62 ASP C C 13 178.89 0.01 . 1 . . . A 499 ASP C . 11601 1 338 . 1 1 62 62 ASP CA C 13 57.25 0.01 . 1 . . . A 499 ASP CA . 11601 1 339 . 1 1 62 62 ASP CB C 13 40.46 0.01 . 1 . . . A 499 ASP CB . 11601 1 340 . 1 1 62 62 ASP N N 15 116.50 0.01 . 1 . . . A 499 ASP N . 11601 1 341 . 1 1 63 63 ARG H H 1 7.454 0.01 . 1 . . . A 500 ARG H . 11601 1 342 . 1 1 63 63 ARG HA H 1 4.243 0.01 . 1 . . . A 500 ARG HA . 11601 1 343 . 1 1 63 63 ARG C C 13 177.78 0.01 . 1 . . . A 500 ARG C . 11601 1 344 . 1 1 63 63 ARG CA C 13 56.70 0.01 . 1 . . . A 500 ARG CA . 11601 1 345 . 1 1 63 63 ARG CB C 13 28.68 0.01 . 1 . . . A 500 ARG CB . 11601 1 346 . 1 1 63 63 ARG N N 15 116.07 0.01 . 1 . . . A 500 ARG N . 11601 1 347 . 1 1 64 64 ALA H H 1 7.553 0.01 . 1 . . . A 501 ALA H . 11601 1 348 . 1 1 64 64 ALA HA H 1 3.937 0.01 . 1 . . . A 501 ALA HA . 11601 1 349 . 1 1 64 64 ALA C C 13 177.92 0.01 . 1 . . . A 501 ALA C . 11601 1 350 . 1 1 64 64 ALA CA C 13 55.90 0.01 . 1 . . . A 501 ALA CA . 11601 1 351 . 1 1 64 64 ALA CB C 13 17.71 0.01 . 1 . . . A 501 ALA CB . 11601 1 352 . 1 1 64 64 ALA N N 15 122.05 0.01 . 1 . . . A 501 ALA N . 11601 1 353 . 1 1 65 65 PHE H H 1 8.445 0.01 . 1 . . . A 502 PHE H . 11601 1 354 . 1 1 65 65 PHE HA H 1 3.925 0.01 . 1 . . . A 502 PHE HA . 11601 1 355 . 1 1 65 65 PHE C C 13 177.89 0.01 . 1 . . . A 502 PHE C . 11601 1 356 . 1 1 65 65 PHE CA C 13 61.55 0.01 . 1 . . . A 502 PHE CA . 11601 1 357 . 1 1 65 65 PHE CB C 13 38.90 0.01 . 1 . . . A 502 PHE CB . 11601 1 358 . 1 1 65 65 PHE N N 15 118.21 0.01 . 1 . . . A 502 PHE N . 11601 1 359 . 1 1 66 66 MET H H 1 7.831 0.01 . 1 . . . A 503 MET H . 11601 1 360 . 1 1 66 66 MET HA H 1 3.939 0.01 . 1 . . . A 503 MET HA . 11601 1 361 . 1 1 66 66 MET C C 13 177.68 0.01 . 1 . . . A 503 MET C . 11601 1 362 . 1 1 66 66 MET CA C 13 57.70 0.01 . 1 . . . A 503 MET CA . 11601 1 363 . 1 1 66 66 MET CB C 13 32.39 0.01 . 1 . . . A 503 MET CB . 11601 1 364 . 1 1 66 66 MET N N 15 117.42 0.01 . 1 . . . A 503 MET N . 11601 1 365 . 1 1 67 67 ALA H H 1 7.985 0.01 . 1 . . . A 504 ALA H . 11601 1 366 . 1 1 67 67 ALA HA H 1 2.740 0.01 . 1 . . . A 504 ALA HA . 11601 1 367 . 1 1 67 67 ALA C C 13 179.30 0.01 . 1 . . . A 504 ALA C . 11601 1 368 . 1 1 67 67 ALA CA C 13 54.57 0.01 . 1 . . . A 504 ALA CA . 11601 1 369 . 1 1 67 67 ALA CB C 13 17.90 0.01 . 1 . . . A 504 ALA CB . 11601 1 370 . 1 1 67 67 ALA N N 15 122.28 0.01 . 1 . . . A 504 ALA N . 11601 1 371 . 1 1 68 68 ALA H H 1 7.862 0.01 . 1 . . . A 505 ALA H . 11601 1 372 . 1 1 68 68 ALA HA H 1 3.670 0.01 . 1 . . . A 505 ALA HA . 11601 1 373 . 1 1 68 68 ALA C C 13 179.15 0.01 . 1 . . . A 505 ALA C . 11601 1 374 . 1 1 68 68 ALA CA C 13 55.21 0.01 . 1 . . . A 505 ALA CA . 11601 1 375 . 1 1 68 68 ALA CB C 13 17.12 0.01 . 1 . . . A 505 ALA CB . 11601 1 376 . 1 1 68 68 ALA N N 15 119.44 0.01 . 1 . . . A 505 ALA N . 11601 1 377 . 1 1 69 69 GLN H H 1 7.765 0.01 . 1 . . . A 506 GLN H . 11601 1 378 . 1 1 69 69 GLN HA H 1 3.800 0.01 . 1 . . . A 506 GLN HA . 11601 1 379 . 1 1 69 69 GLN C C 13 178.76 0.01 . 1 . . . A 506 GLN C . 11601 1 380 . 1 1 69 69 GLN CA C 13 58.61 0.01 . 1 . . . A 506 GLN CA . 11601 1 381 . 1 1 69 69 GLN CB C 13 29.12 0.01 . 1 . . . A 506 GLN CB . 11601 1 382 . 1 1 69 69 GLN N N 15 115.68 0.01 . 1 . . . A 506 GLN N . 11601 1 383 . 1 1 70 70 LYS H H 1 7.895 0.01 . 1 . . . A 507 LYS H . 11601 1 384 . 1 1 70 70 LYS HA H 1 4.282 0.01 . 1 . . . A 507 LYS HA . 11601 1 385 . 1 1 70 70 LYS C C 13 178.95 0.01 . 1 . . . A 507 LYS C . 11601 1 386 . 1 1 70 70 LYS CA C 13 57.80 0.01 . 1 . . . A 507 LYS CA . 11601 1 387 . 1 1 70 70 LYS CB C 13 33.55 0.01 . 1 . . . A 507 LYS CB . 11601 1 388 . 1 1 70 70 LYS N N 15 115.46 0.01 . 1 . . . A 507 LYS N . 11601 1 389 . 1 1 71 71 CYS H H 1 8.233 0.01 . 1 . . . A 508 CYS H . 11601 1 390 . 1 1 71 71 CYS HA H 1 4.168 0.01 . 1 . . . A 508 CYS HA . 11601 1 391 . 1 1 71 71 CYS C C 13 173.52 0.01 . 1 . . . A 508 CYS C . 11601 1 392 . 1 1 71 71 CYS CA C 13 60.60 0.01 . 1 . . . A 508 CYS CA . 11601 1 393 . 1 1 71 71 CYS CB C 13 28.55 0.01 . 1 . . . A 508 CYS CB . 11601 1 394 . 1 1 71 71 CYS N N 15 113.91 0.01 . 1 . . . A 508 CYS N . 11601 1 395 . 1 1 72 72 HIS H H 1 7.286 0.01 . 1 . . . A 509 HIS H . 11601 1 396 . 1 1 72 72 HIS HA H 1 4.483 0.01 . 1 . . . A 509 HIS HA . 11601 1 397 . 1 1 72 72 HIS C C 13 176.62 0.01 . 1 . . . A 509 HIS C . 11601 1 398 . 1 1 72 72 HIS CA C 13 59.17 0.01 . 1 . . . A 509 HIS CA . 11601 1 399 . 1 1 72 72 HIS CB C 13 30.83 0.01 . 1 . . . A 509 HIS CB . 11601 1 400 . 1 1 72 72 HIS N N 15 118.14 0.01 . 1 . . . A 509 HIS N . 11601 1 401 . 1 1 73 73 LYS H H 1 9.025 0.01 . 1 . . . A 510 LYS H . 11601 1 402 . 1 1 73 73 LYS HA H 1 3.279 0.01 . 1 . . . A 510 LYS HA . 11601 1 403 . 1 1 73 73 LYS C C 13 174.88 0.01 . 1 . . . A 510 LYS C . 11601 1 404 . 1 1 73 73 LYS CA C 13 58.78 0.01 . 1 . . . A 510 LYS CA . 11601 1 405 . 1 1 73 73 LYS CB C 13 28.75 0.01 . 1 . . . A 510 LYS CB . 11601 1 406 . 1 1 73 73 LYS N N 15 122.81 0.01 . 1 . . . A 510 LYS N . 11601 1 407 . 1 1 74 74 LYS H H 1 7.925 0.01 . 1 . . . A 511 LYS H . 11601 1 408 . 1 1 74 74 LYS HA H 1 4.441 0.01 . 1 . . . A 511 LYS HA . 11601 1 409 . 1 1 74 74 LYS C C 13 175.65 0.01 . 1 . . . A 511 LYS C . 11601 1 410 . 1 1 74 74 LYS CA C 13 56.35 0.01 . 1 . . . A 511 LYS CA . 11601 1 411 . 1 1 74 74 LYS CB C 13 33.56 0.01 . 1 . . . A 511 LYS CB . 11601 1 412 . 1 1 74 74 LYS N N 15 120.66 0.01 . 1 . . . A 511 LYS N . 11601 1 413 . 1 1 75 75 ASN H H 1 8.346 0.01 . 1 . . . A 512 ASN H . 11601 1 414 . 1 1 75 75 ASN HA H 1 4.897 0.01 . 1 . . . A 512 ASN HA . 11601 1 415 . 1 1 75 75 ASN C C 13 175.19 0.01 . 1 . . . A 512 ASN C . 11601 1 416 . 1 1 75 75 ASN CA C 13 53.92 0.01 . 1 . . . A 512 ASN CA . 11601 1 417 . 1 1 75 75 ASN CB C 13 40.38 0.01 . 1 . . . A 512 ASN CB . 11601 1 418 . 1 1 75 75 ASN N N 15 120.40 0.01 . 1 . . . A 512 ASN N . 11601 1 419 . 1 1 76 76 MET H H 1 8.797 0.01 . 1 . . . A 513 MET H . 11601 1 420 . 1 1 76 76 MET HA H 1 4.346 0.01 . 1 . . . A 513 MET HA . 11601 1 421 . 1 1 76 76 MET C C 13 174.54 0.01 . 1 . . . A 513 MET C . 11601 1 422 . 1 1 76 76 MET CA C 13 56.08 0.01 . 1 . . . A 513 MET CA . 11601 1 423 . 1 1 76 76 MET CB C 13 35.99 0.01 . 1 . . . A 513 MET CB . 11601 1 424 . 1 1 76 76 MET N N 15 124.26 0.01 . 1 . . . A 513 MET N . 11601 1 425 . 1 1 77 77 LYS H H 1 9.093 0.01 . 1 . . . A 514 LYS H . 11601 1 426 . 1 1 77 77 LYS HA H 1 3.719 0.01 . 1 . . . A 514 LYS HA . 11601 1 427 . 1 1 77 77 LYS C C 13 175.10 0.01 . 1 . . . A 514 LYS C . 11601 1 428 . 1 1 77 77 LYS CA C 13 58.49 0.01 . 1 . . . A 514 LYS CA . 11601 1 429 . 1 1 77 77 LYS CB C 13 29.71 0.01 . 1 . . . A 514 LYS CB . 11601 1 430 . 1 1 77 77 LYS N N 15 123.36 0.01 . 1 . . . A 514 LYS N . 11601 1 431 . 1 1 78 78 ASP H H 1 8.597 0.01 . 1 . . . A 515 ASP H . 11601 1 432 . 1 1 78 78 ASP HA H 1 4.464 0.01 . 1 . . . A 515 ASP HA . 11601 1 433 . 1 1 78 78 ASP C C 13 175.20 0.01 . 1 . . . A 515 ASP C . 11601 1 434 . 1 1 78 78 ASP CA C 13 54.23 0.01 . 1 . . . A 515 ASP CA . 11601 1 435 . 1 1 78 78 ASP CB C 13 39.97 0.01 . 1 . . . A 515 ASP CB . 11601 1 436 . 1 1 78 78 ASP N N 15 118.81 0.01 . 1 . . . A 515 ASP N . 11601 1 437 . 1 1 79 79 ARG H H 1 7.849 0.01 . 1 . . . A 516 ARG H . 11601 1 438 . 1 1 79 79 ARG HA H 1 4.566 0.01 . 1 . . . A 516 ARG HA . 11601 1 439 . 1 1 79 79 ARG C C 13 174.85 0.01 . 1 . . . A 516 ARG C . 11601 1 440 . 1 1 79 79 ARG CA C 13 53.74 0.01 . 1 . . . A 516 ARG CA . 11601 1 441 . 1 1 79 79 ARG CB C 13 32.23 0.01 . 1 . . . A 516 ARG CB . 11601 1 442 . 1 1 79 79 ARG N N 15 118.76 0.01 . 1 . . . A 516 ARG N . 11601 1 443 . 1 1 80 80 TYR H H 1 8.346 0.01 . 1 . . . A 517 TYR H . 11601 1 444 . 1 1 80 80 TYR HA H 1 4.574 0.01 . 1 . . . A 517 TYR HA . 11601 1 445 . 1 1 80 80 TYR C C 13 175.11 0.01 . 1 . . . A 517 TYR C . 11601 1 446 . 1 1 80 80 TYR CA C 13 57.84 0.01 . 1 . . . A 517 TYR CA . 11601 1 447 . 1 1 80 80 TYR CB C 13 38.24 0.01 . 1 . . . A 517 TYR CB . 11601 1 448 . 1 1 80 80 TYR N N 15 120.90 0.01 . 1 . . . A 517 TYR N . 11601 1 449 . 1 1 81 81 VAL H H 1 8.173 0.01 . 1 . . . A 518 VAL H . 11601 1 450 . 1 1 81 81 VAL HA H 1 4.032 0.01 . 1 . . . A 518 VAL HA . 11601 1 451 . 1 1 81 81 VAL C C 13 175.84 0.01 . 1 . . . A 518 VAL C . 11601 1 452 . 1 1 81 81 VAL CA C 13 62.48 0.01 . 1 . . . A 518 VAL CA . 11601 1 453 . 1 1 81 81 VAL CB C 13 33.48 0.01 . 1 . . . A 518 VAL CB . 11601 1 454 . 1 1 81 81 VAL N N 15 126.59 0.01 . 1 . . . A 518 VAL N . 11601 1 455 . 1 1 82 82 GLU H H 1 8.387 0.01 . 1 . . . A 519 GLU H . 11601 1 456 . 1 1 82 82 GLU HA H 1 4.659 0.01 . 1 . . . A 519 GLU HA . 11601 1 457 . 1 1 82 82 GLU C C 13 175.71 0.01 . 1 . . . A 519 GLU C . 11601 1 458 . 1 1 82 82 GLU CA C 13 55.66 0.01 . 1 . . . A 519 GLU CA . 11601 1 459 . 1 1 82 82 GLU CB C 13 32.43 0.01 . 1 . . . A 519 GLU CB . 11601 1 460 . 1 1 82 82 GLU N N 15 125.74 0.01 . 1 . . . A 519 GLU N . 11601 1 461 . 1 1 83 83 VAL H H 1 10.502 0.01 . 1 . . . A 520 VAL H . 11601 1 462 . 1 1 83 83 VAL HA H 1 5.043 0.01 . 1 . . . A 520 VAL HA . 11601 1 463 . 1 1 83 83 VAL C C 13 173.58 0.01 . 1 . . . A 520 VAL C . 11601 1 464 . 1 1 83 83 VAL CA C 13 61.32 0.01 . 1 . . . A 520 VAL CA . 11601 1 465 . 1 1 83 83 VAL CB C 13 34.72 0.01 . 1 . . . A 520 VAL CB . 11601 1 466 . 1 1 83 83 VAL N N 15 124.37 0.01 . 1 . . . A 520 VAL N . 11601 1 467 . 1 1 84 84 PHE H H 1 8.785 0.01 . 1 . . . A 521 PHE H . 11601 1 468 . 1 1 84 84 PHE HA H 1 4.833 0.01 . 1 . . . A 521 PHE HA . 11601 1 469 . 1 1 84 84 PHE C C 13 175.40 0.01 . 1 . . . A 521 PHE C . 11601 1 470 . 1 1 84 84 PHE CA C 13 55.19 0.01 . 1 . . . A 521 PHE CA . 11601 1 471 . 1 1 84 84 PHE CB C 13 42.69 0.01 . 1 . . . A 521 PHE CB . 11601 1 472 . 1 1 84 84 PHE N N 15 122.27 0.01 . 1 . . . A 521 PHE N . 11601 1 473 . 1 1 85 85 GLN H H 1 9.088 0.01 . 1 . . . A 522 GLN H . 11601 1 474 . 1 1 85 85 GLN HA H 1 4.918 0.01 . 1 . . . A 522 GLN HA . 11601 1 475 . 1 1 85 85 GLN C C 13 175.41 0.01 . 1 . . . A 522 GLN C . 11601 1 476 . 1 1 85 85 GLN CA C 13 55.99 0.01 . 1 . . . A 522 GLN CA . 11601 1 477 . 1 1 85 85 GLN CB C 13 29.56 0.01 . 1 . . . A 522 GLN CB . 11601 1 478 . 1 1 85 85 GLN N N 15 125.57 0.01 . 1 . . . A 522 GLN N . 11601 1 479 . 1 1 86 86 CYS H H 1 9.344 0.01 . 1 . . . A 523 CYS H . 11601 1 480 . 1 1 86 86 CYS HA H 1 5.061 0.01 . 1 . . . A 523 CYS HA . 11601 1 481 . 1 1 86 86 CYS C C 13 171.48 0.01 . 1 . . . A 523 CYS C . 11601 1 482 . 1 1 86 86 CYS CA C 13 56.84 0.01 . 1 . . . A 523 CYS CA . 11601 1 483 . 1 1 86 86 CYS CB C 13 31.36 0.01 . 1 . . . A 523 CYS CB . 11601 1 484 . 1 1 86 86 CYS N N 15 122.84 0.01 . 1 . . . A 523 CYS N . 11601 1 485 . 1 1 87 87 SER H H 1 8.820 0.01 . 1 . . . A 524 SER H . 11601 1 486 . 1 1 87 87 SER HA H 1 5.288 0.01 . 1 . . . A 524 SER HA . 11601 1 487 . 1 1 87 87 SER C C 13 175.33 0.01 . 1 . . . A 524 SER C . 11601 1 488 . 1 1 87 87 SER CA C 13 56.54 0.01 . 1 . . . A 524 SER CA . 11601 1 489 . 1 1 87 87 SER CB C 13 67.29 0.01 . 1 . . . A 524 SER CB . 11601 1 490 . 1 1 87 87 SER N N 15 114.54 0.01 . 1 . . . A 524 SER N . 11601 1 491 . 1 1 88 88 ALA H H 1 9.304 0.01 . 1 . . . A 525 ALA H . 11601 1 492 . 1 1 88 88 ALA HA H 1 4.323 0.01 . 1 . . . A 525 ALA HA . 11601 1 493 . 1 1 88 88 ALA C C 13 179.55 0.01 . 1 . . . A 525 ALA C . 11601 1 494 . 1 1 88 88 ALA CA C 13 54.98 0.01 . 1 . . . A 525 ALA CA . 11601 1 495 . 1 1 88 88 ALA CB C 13 17.71 0.01 . 1 . . . A 525 ALA CB . 11601 1 496 . 1 1 88 88 ALA N N 15 124.33 0.01 . 1 . . . A 525 ALA N . 11601 1 497 . 1 1 89 89 GLU H H 1 8.445 0.01 . 1 . . . A 526 GLU H . 11601 1 498 . 1 1 89 89 GLU HA H 1 4.000 0.01 . 1 . . . A 526 GLU HA . 11601 1 499 . 1 1 89 89 GLU C C 13 179.38 0.01 . 1 . . . A 526 GLU C . 11601 1 500 . 1 1 89 89 GLU CA C 13 60.09 0.01 . 1 . . . A 526 GLU CA . 11601 1 501 . 1 1 89 89 GLU CB C 13 29.10 0.01 . 1 . . . A 526 GLU CB . 11601 1 502 . 1 1 89 89 GLU N N 15 118.26 0.01 . 1 . . . A 526 GLU N . 11601 1 503 . 1 1 90 90 GLU H H 1 7.551 0.01 . 1 . . . A 527 GLU H . 11601 1 504 . 1 1 90 90 GLU HA H 1 3.977 0.01 . 1 . . . A 527 GLU HA . 11601 1 505 . 1 1 90 90 GLU C C 13 177.72 0.01 . 1 . . . A 527 GLU C . 11601 1 506 . 1 1 90 90 GLU CA C 13 59.60 0.01 . 1 . . . A 527 GLU CA . 11601 1 507 . 1 1 90 90 GLU CB C 13 29.81 0.01 . 1 . . . A 527 GLU CB . 11601 1 508 . 1 1 90 90 GLU N N 15 120.95 0.01 . 1 . . . A 527 GLU N . 11601 1 509 . 1 1 91 91 MET H H 1 7.351 0.01 . 1 . . . A 528 MET H . 11601 1 510 . 1 1 91 91 MET HA H 1 2.347 0.01 . 1 . . . A 528 MET HA . 11601 1 511 . 1 1 91 91 MET C C 13 176.82 0.01 . 1 . . . A 528 MET C . 11601 1 512 . 1 1 91 91 MET CA C 13 58.05 0.01 . 1 . . . A 528 MET CA . 11601 1 513 . 1 1 91 91 MET CB C 13 33.51 0.01 . 1 . . . A 528 MET CB . 11601 1 514 . 1 1 91 91 MET N N 15 117.95 0.01 . 1 . . . A 528 MET N . 11601 1 515 . 1 1 92 92 ASN H H 1 8.557 0.01 . 1 . . . A 529 ASN H . 11601 1 516 . 1 1 92 92 ASN HA H 1 4.166 0.01 . 1 . . . A 529 ASN HA . 11601 1 517 . 1 1 92 92 ASN C C 13 177.08 0.01 . 1 . . . A 529 ASN C . 11601 1 518 . 1 1 92 92 ASN CA C 13 56.14 0.01 . 1 . . . A 529 ASN CA . 11601 1 519 . 1 1 92 92 ASN CB C 13 37.90 0.01 . 1 . . . A 529 ASN CB . 11601 1 520 . 1 1 92 92 ASN N N 15 116.39 0.01 . 1 . . . A 529 ASN N . 11601 1 521 . 1 1 93 93 PHE H H 1 7.896 0.01 . 1 . . . A 530 PHE H . 11601 1 522 . 1 1 93 93 PHE HA H 1 4.206 0.01 . 1 . . . A 530 PHE HA . 11601 1 523 . 1 1 93 93 PHE C C 13 178.15 0.01 . 1 . . . A 530 PHE C . 11601 1 524 . 1 1 93 93 PHE CA C 13 61.09 0.01 . 1 . . . A 530 PHE CA . 11601 1 525 . 1 1 93 93 PHE CB C 13 39.15 0.01 . 1 . . . A 530 PHE CB . 11601 1 526 . 1 1 93 93 PHE N N 15 120.24 0.01 . 1 . . . A 530 PHE N . 11601 1 527 . 1 1 94 94 VAL H H 1 7.581 0.01 . 1 . . . A 531 VAL H . 11601 1 528 . 1 1 94 94 VAL HA H 1 3.669 0.01 . 1 . . . A 531 VAL HA . 11601 1 529 . 1 1 94 94 VAL C C 13 179.78 0.01 . 1 . . . A 531 VAL C . 11601 1 530 . 1 1 94 94 VAL CA C 13 65.64 0.01 . 1 . . . A 531 VAL CA . 11601 1 531 . 1 1 94 94 VAL CB C 13 31.60 0.01 . 1 . . . A 531 VAL CB . 11601 1 532 . 1 1 94 94 VAL N N 15 119.15 0.01 . 1 . . . A 531 VAL N . 11601 1 533 . 1 1 95 95 LEU H H 1 8.443 0.01 . 1 . . . A 532 LEU H . 11601 1 534 . 1 1 95 95 LEU HA H 1 4.094 0.01 . 1 . . . A 532 LEU HA . 11601 1 535 . 1 1 95 95 LEU C C 13 179.11 0.01 . 1 . . . A 532 LEU C . 11601 1 536 . 1 1 95 95 LEU CA C 13 57.68 0.01 . 1 . . . A 532 LEU CA . 11601 1 537 . 1 1 95 95 LEU CB C 13 41.31 0.01 . 1 . . . A 532 LEU CB . 11601 1 538 . 1 1 95 95 LEU N N 15 120.06 0.01 . 1 . . . A 532 LEU N . 11601 1 539 . 1 1 96 96 MET H H 1 7.804 0.01 . 1 . . . A 533 MET H . 11601 1 540 . 1 1 96 96 MET HA H 1 4.766 0.01 . 1 . . . A 533 MET HA . 11601 1 541 . 1 1 96 96 MET C C 13 179.12 0.01 . 1 . . . A 533 MET C . 11601 1 542 . 1 1 96 96 MET CA C 13 55.75 0.01 . 1 . . . A 533 MET CA . 11601 1 543 . 1 1 96 96 MET CB C 13 32.30 0.01 . 1 . . . A 533 MET CB . 11601 1 544 . 1 1 96 96 MET N N 15 115.17 0.01 . 1 . . . A 533 MET N . 11601 1 545 . 1 1 97 97 GLY H H 1 7.719 0.01 . 1 . . . A 534 GLY H . 11601 1 546 . 1 1 97 97 GLY HA2 H 1 3.797 0.01 . 2 . . . A 534 GLY HA2 . 11601 1 547 . 1 1 97 97 GLY HA3 H 1 4.118 0.01 . 2 . . . A 534 GLY HA3 . 11601 1 548 . 1 1 97 97 GLY C C 13 175.00 0.01 . 1 . . . A 534 GLY C . 11601 1 549 . 1 1 97 97 GLY CA C 13 45.68 0.01 . 1 . . . A 534 GLY CA . 11601 1 550 . 1 1 97 97 GLY N N 15 107.62 0.01 . 1 . . . A 534 GLY N . 11601 1 551 . 1 1 98 98 GLY H H 1 8.031 0.01 . 1 . . . A 535 GLY H . 11601 1 552 . 1 1 98 98 GLY HA2 H 1 3.151 0.01 . 2 . . . A 535 GLY HA2 . 11601 1 553 . 1 1 98 98 GLY HA3 H 1 3.661 0.01 . 2 . . . A 535 GLY HA3 . 11601 1 554 . 1 1 98 98 GLY C C 13 173.66 0.01 . 1 . . . A 535 GLY C . 11601 1 555 . 1 1 98 98 GLY CA C 13 45.14 0.01 . 1 . . . A 535 GLY CA . 11601 1 556 . 1 1 98 98 GLY N N 15 108.97 0.01 . 1 . . . A 535 GLY N . 11601 1 557 . 1 1 99 99 THR H H 1 7.884 0.01 . 1 . . . A 536 THR H . 11601 1 558 . 1 1 99 99 THR HA H 1 4.404 0.01 . 1 . . . A 536 THR HA . 11601 1 559 . 1 1 99 99 THR C C 13 174.37 0.01 . 1 . . . A 536 THR C . 11601 1 560 . 1 1 99 99 THR CA C 13 61.81 0.01 . 1 . . . A 536 THR CA . 11601 1 561 . 1 1 99 99 THR CB C 13 70.10 0.01 . 1 . . . A 536 THR CB . 11601 1 562 . 1 1 99 99 THR N N 15 113.51 0.01 . 1 . . . A 536 THR N . 11601 1 563 . 1 1 100 100 LEU H H 1 8.310 0.01 . 1 . . . A 537 LEU H . 11601 1 564 . 1 1 100 100 LEU HA H 1 4.358 0.01 . 1 . . . A 537 LEU HA . 11601 1 565 . 1 1 100 100 LEU C C 13 177.05 0.01 . 1 . . . A 537 LEU C . 11601 1 566 . 1 1 100 100 LEU CA C 13 55.48 0.01 . 1 . . . A 537 LEU CA . 11601 1 567 . 1 1 100 100 LEU CB C 13 42.37 0.01 . 1 . . . A 537 LEU CB . 11601 1 568 . 1 1 100 100 LEU N N 15 124.43 0.01 . 1 . . . A 537 LEU N . 11601 1 569 . 1 1 101 101 ASN H H 1 8.375 0.01 . 1 . . . A 538 ASN H . 11601 1 570 . 1 1 101 101 ASN HA H 1 4.668 0.01 . 1 . . . A 538 ASN HA . 11601 1 571 . 1 1 101 101 ASN C C 13 175.40 0.01 . 1 . . . A 538 ASN C . 11601 1 572 . 1 1 101 101 ASN CA C 13 53.73 0.01 . 1 . . . A 538 ASN CA . 11601 1 573 . 1 1 101 101 ASN CB C 13 38.80 0.01 . 1 . . . A 538 ASN CB . 11601 1 574 . 1 1 101 101 ASN N N 15 119.75 0.01 . 1 . . . A 538 ASN N . 11601 1 575 . 1 1 102 102 ARG H H 1 8.207 0.01 . 1 . . . A 539 ARG H . 11601 1 576 . 1 1 102 102 ARG HA H 1 4.264 0.01 . 1 . . . A 539 ARG HA . 11601 1 577 . 1 1 102 102 ARG C C 13 176.22 0.01 . 1 . . . A 539 ARG C . 11601 1 578 . 1 1 102 102 ARG CA C 13 56.67 0.01 . 1 . . . A 539 ARG CA . 11601 1 579 . 1 1 102 102 ARG CB C 13 30.57 0.01 . 1 . . . A 539 ARG CB . 11601 1 580 . 1 1 102 102 ARG N N 15 120.95 0.01 . 1 . . . A 539 ARG N . 11601 1 581 . 1 1 103 103 LEU H H 1 8.045 0.01 . 1 . . . A 540 LEU H . 11601 1 582 . 1 1 103 103 LEU HA H 1 4.260 0.01 . 1 . . . A 540 LEU HA . 11601 1 583 . 1 1 103 103 LEU C C 13 177.16 0.01 . 1 . . . A 540 LEU C . 11601 1 584 . 1 1 103 103 LEU CA C 13 55.26 0.01 . 1 . . . A 540 LEU CA . 11601 1 585 . 1 1 103 103 LEU CB C 13 42.20 0.01 . 1 . . . A 540 LEU CB . 11601 1 586 . 1 1 103 103 LEU N N 15 121.97 0.01 . 1 . . . A 540 LEU N . 11601 1 587 . 1 1 104 104 GLU H H 1 8.093 0.01 . 1 . . . A 541 GLU H . 11601 1 588 . 1 1 104 104 GLU HA H 1 4.208 0.01 . 1 . . . A 541 GLU HA . 11601 1 589 . 1 1 104 104 GLU CA C 13 56.44 0.01 . 1 . . . A 541 GLU CA . 11601 1 590 . 1 1 104 104 GLU CB C 13 30.42 0.01 . 1 . . . A 541 GLU CB . 11601 1 591 . 1 1 104 104 GLU N N 15 120.92 0.01 . 1 . . . A 541 GLU N . 11601 1 stop_ save_