data_25560 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25560 _Entry.Title ; Solution structure of the GBII-beta MRH domain W409A point mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-01 _Entry.Accession_date 2015-04-01 _Entry.Last_release_date 2015-12-07 _Entry.Original_release_date 2015-12-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.Entry_ID 1 Linda Olson . J. . 25560 2 Francis Peterson . C. . 25560 3 Nancy Damhs . M. . 25560 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' . 25560 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'hydrolase, NMR, lectin, MRH' . 25560 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25560 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 25560 '15N chemical shifts' 96 25560 '1H chemical shifts' 619 25560 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 . . 2015-12-07 . original BMRB . 25560 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N1H 'BMRB Entry Tracking System' 25560 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25560 _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 ; Crystal structure and functional analyses of glucosdidase II's lectin domain: Insgihts into oligomannose recognition ; _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.Entry_ID _Citation_author.Citation_ID 1 Linda Olson . J. . 25560 1 2 Ramiro Orsi . . . 25560 1 3 Francis Peterson . C. . 25560 1 4 Armando Parodi . J. . 25560 1 5 Jung-Ja Kim . P. . 25560 1 6 Cecilia D'Alessio . . . 25560 1 7 Nancy Damhs . M. . 25560 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25560 _Assembly.ID 1 _Assembly.Name MRH-GIIb _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 entity 1 $entity A . yes native no no . . . 25560 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 81 81 SG . . . . . . . . . . 25560 1 2 disulfide single . 1 . 1 CYS 66 66 SG . 1 . 1 CYS 93 93 SG . . . . . . . . . . 25560 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25560 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; YRAIKGMETKREIGGYTYKV VFYENVFQDSILLGNFASQE GNVLKYENGQSCANGPHRSA IVTVECGVENEIVSVLEAQK CEYLIKMKSPAACS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'MRH GIIb starting at residue 357 and going 450 of the mature protein.' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation W409 _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10428.918 _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 1 357 TYR . 25560 1 2 358 ARG . 25560 1 3 359 ALA . 25560 1 4 360 ILE . 25560 1 5 361 LYS . 25560 1 6 362 GLY . 25560 1 7 363 MET . 25560 1 8 364 GLU . 25560 1 9 365 THR . 25560 1 10 366 LYS . 25560 1 11 367 ARG . 25560 1 12 368 GLU . 25560 1 13 369 ILE . 25560 1 14 370 GLY . 25560 1 15 371 GLY . 25560 1 16 372 TYR . 25560 1 17 373 THR . 25560 1 18 374 TYR . 25560 1 19 375 LYS . 25560 1 20 376 VAL . 25560 1 21 377 VAL . 25560 1 22 378 PHE . 25560 1 23 379 TYR . 25560 1 24 380 GLU . 25560 1 25 381 ASN . 25560 1 26 382 VAL . 25560 1 27 383 PHE . 25560 1 28 384 GLN . 25560 1 29 385 ASP . 25560 1 30 386 SER . 25560 1 31 387 ILE . 25560 1 32 388 LEU . 25560 1 33 389 LEU . 25560 1 34 390 GLY . 25560 1 35 391 ASN . 25560 1 36 392 PHE . 25560 1 37 393 ALA . 25560 1 38 394 SER . 25560 1 39 395 GLN . 25560 1 40 396 GLU . 25560 1 41 397 GLY . 25560 1 42 398 ASN . 25560 1 43 399 VAL . 25560 1 44 400 LEU . 25560 1 45 401 LYS . 25560 1 46 402 TYR . 25560 1 47 403 GLU . 25560 1 48 404 ASN . 25560 1 49 405 GLY . 25560 1 50 406 GLN . 25560 1 51 407 SER . 25560 1 52 408 CYS . 25560 1 53 409 ALA . 25560 1 54 410 ASN . 25560 1 55 411 GLY . 25560 1 56 412 PRO . 25560 1 57 413 HIS . 25560 1 58 414 ARG . 25560 1 59 415 SER . 25560 1 60 416 ALA . 25560 1 61 417 ILE . 25560 1 62 418 VAL . 25560 1 63 419 THR . 25560 1 64 420 VAL . 25560 1 65 421 GLU . 25560 1 66 422 CYS . 25560 1 67 423 GLY . 25560 1 68 424 VAL . 25560 1 69 425 GLU . 25560 1 70 426 ASN . 25560 1 71 427 GLU . 25560 1 72 428 ILE . 25560 1 73 429 VAL . 25560 1 74 430 SER . 25560 1 75 431 VAL . 25560 1 76 432 LEU . 25560 1 77 433 GLU . 25560 1 78 434 ALA . 25560 1 79 435 GLN . 25560 1 80 436 LYS . 25560 1 81 437 CYS . 25560 1 82 438 GLU . 25560 1 83 439 TYR . 25560 1 84 440 LEU . 25560 1 85 441 ILE . 25560 1 86 442 LYS . 25560 1 87 443 MET . 25560 1 88 444 LYS . 25560 1 89 445 SER . 25560 1 90 446 PRO . 25560 1 91 447 ALA . 25560 1 92 448 ALA . 25560 1 93 449 CYS . 25560 1 94 450 SER . 25560 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 . TYR 1 1 25560 1 . ARG 2 2 25560 1 . ALA 3 3 25560 1 . ILE 4 4 25560 1 . LYS 5 5 25560 1 . GLY 6 6 25560 1 . MET 7 7 25560 1 . GLU 8 8 25560 1 . THR 9 9 25560 1 . LYS 10 10 25560 1 . ARG 11 11 25560 1 . GLU 12 12 25560 1 . ILE 13 13 25560 1 . GLY 14 14 25560 1 . GLY 15 15 25560 1 . TYR 16 16 25560 1 . THR 17 17 25560 1 . TYR 18 18 25560 1 . LYS 19 19 25560 1 . VAL 20 20 25560 1 . VAL 21 21 25560 1 . PHE 22 22 25560 1 . TYR 23 23 25560 1 . GLU 24 24 25560 1 . ASN 25 25 25560 1 . VAL 26 26 25560 1 . PHE 27 27 25560 1 . GLN 28 28 25560 1 . ASP 29 29 25560 1 . SER 30 30 25560 1 . ILE 31 31 25560 1 . LEU 32 32 25560 1 . LEU 33 33 25560 1 . GLY 34 34 25560 1 . ASN 35 35 25560 1 . PHE 36 36 25560 1 . ALA 37 37 25560 1 . SER 38 38 25560 1 . GLN 39 39 25560 1 . GLU 40 40 25560 1 . GLY 41 41 25560 1 . ASN 42 42 25560 1 . VAL 43 43 25560 1 . LEU 44 44 25560 1 . LYS 45 45 25560 1 . TYR 46 46 25560 1 . GLU 47 47 25560 1 . ASN 48 48 25560 1 . GLY 49 49 25560 1 . GLN 50 50 25560 1 . SER 51 51 25560 1 . CYS 52 52 25560 1 . ALA 53 53 25560 1 . ASN 54 54 25560 1 . GLY 55 55 25560 1 . PRO 56 56 25560 1 . HIS 57 57 25560 1 . ARG 58 58 25560 1 . SER 59 59 25560 1 . ALA 60 60 25560 1 . ILE 61 61 25560 1 . VAL 62 62 25560 1 . THR 63 63 25560 1 . VAL 64 64 25560 1 . GLU 65 65 25560 1 . CYS 66 66 25560 1 . GLY 67 67 25560 1 . VAL 68 68 25560 1 . GLU 69 69 25560 1 . ASN 70 70 25560 1 . GLU 71 71 25560 1 . ILE 72 72 25560 1 . VAL 73 73 25560 1 . SER 74 74 25560 1 . VAL 75 75 25560 1 . LEU 76 76 25560 1 . GLU 77 77 25560 1 . ALA 78 78 25560 1 . GLN 79 79 25560 1 . LYS 80 80 25560 1 . CYS 81 81 25560 1 . GLU 82 82 25560 1 . TYR 83 83 25560 1 . LEU 84 84 25560 1 . ILE 85 85 25560 1 . LYS 86 86 25560 1 . MET 87 87 25560 1 . LYS 88 88 25560 1 . SER 89 89 25560 1 . PRO 90 90 25560 1 . ALA 91 91 25560 1 . ALA 92 92 25560 1 . CYS 93 93 25560 1 . SER 94 94 25560 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 25560 _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 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . 25560 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 25560 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21[pREP4] . . . . . pQE . . . 25560 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25560 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'MRH GIIb' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 25560 1 2 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 25560 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25560 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25560 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25560 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25560 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 25560 _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' 0.150 . M 25560 1 pH 7.1 . pH 25560 1 pressure 1 . atm 25560 1 temperature 298 . K 25560 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25560 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert P.' . . 25560 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25560 1 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 25560 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25560 _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 . 600 . . . 25560 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 25560 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25560 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25560 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25560 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 25560 _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 . . . . . . . . . 25560 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25560 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25560 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 25560 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '3D 1H-15N NOESY' . . . 25560 1 2 '3D 1H-13C NOESY aliphatic' . . . 25560 1 3 '3D 1H-13C NOESY aromatic' . . . 25560 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 3 3 ALA HA H 1 4.506 0.020 . 1 . . . A 359 ALA HA . 25560 1 2 . 1 1 3 3 ALA HB1 H 1 1.184 0.020 . 1 . . . A 359 ALA HB1 . 25560 1 3 . 1 1 3 3 ALA HB2 H 1 1.184 0.020 . 1 . . . A 359 ALA HB2 . 25560 1 4 . 1 1 3 3 ALA HB3 H 1 1.184 0.020 . 1 . . . A 359 ALA HB3 . 25560 1 5 . 1 1 3 3 ALA CA C 13 51.578 0.10 . 1 . . . A 359 ALA CA . 25560 1 6 . 1 1 3 3 ALA CB C 13 18.908 0.10 . 1 . . . A 359 ALA CB . 25560 1 7 . 1 1 4 4 ILE HA H 1 4.756 0.020 . 1 . . . A 360 ILE HA . 25560 1 8 . 1 1 4 4 ILE HB H 1 1.977 0.020 . 1 . . . A 360 ILE HB . 25560 1 9 . 1 1 4 4 ILE HG12 H 1 1.618 0.020 . 2 . . . A 360 ILE HG12 . 25560 1 10 . 1 1 4 4 ILE HG13 H 1 1.155 0.020 . 2 . . . A 360 ILE HG13 . 25560 1 11 . 1 1 4 4 ILE HG21 H 1 0.835 0.020 . 1 . . . A 360 ILE QG2 . 25560 1 12 . 1 1 4 4 ILE HG22 H 1 0.835 0.020 . 1 . . . A 360 ILE QG2 . 25560 1 13 . 1 1 4 4 ILE HG23 H 1 0.835 0.020 . 1 . . . A 360 ILE QG2 . 25560 1 14 . 1 1 4 4 ILE CA C 13 60.965 0.10 . 1 . . . A 360 ILE CA . 25560 1 15 . 1 1 4 4 ILE CB C 13 38.954 0.10 . 1 . . . A 360 ILE CB . 25560 1 16 . 1 1 4 4 ILE CG1 C 13 27.948 0.10 . 1 . . . A 360 ILE CG1 . 25560 1 17 . 1 1 4 4 ILE CG2 C 13 18.908 0.10 . 1 . . . A 360 ILE CG2 . 25560 1 18 . 1 1 6 6 GLY H H 1 8.564 0.020 . 1 . . . A 362 GLY H . 25560 1 19 . 1 1 6 6 GLY HA2 H 1 4.430 0.020 . 2 . . . A 362 GLY HA2 . 25560 1 20 . 1 1 6 6 GLY HA3 H 1 3.603 0.020 . 2 . . . A 362 GLY HA3 . 25560 1 21 . 1 1 6 6 GLY C C 13 174.372 0.10 . 1 . . . A 362 GLY C . 25560 1 22 . 1 1 6 6 GLY CA C 13 45.751 0.10 . 1 . . . A 362 GLY CA . 25560 1 23 . 1 1 6 6 GLY N N 15 113.827 0.10 . 1 . . . A 362 GLY N . 25560 1 24 . 1 1 7 7 MET H H 1 8.080 0.020 . 1 . . . A 363 MET H . 25560 1 25 . 1 1 7 7 MET HE1 H 1 2.116 0.020 . 1 . . . A 363 MET HE1 . 25560 1 26 . 1 1 7 7 MET HE2 H 1 2.116 0.020 . 1 . . . A 363 MET HE2 . 25560 1 27 . 1 1 7 7 MET HE3 H 1 2.116 0.020 . 1 . . . A 363 MET HE3 . 25560 1 28 . 1 1 7 7 MET CE C 13 17.613 0.10 . 1 . . . A 363 MET CE . 25560 1 29 . 1 1 7 7 MET N N 15 121.177 0.10 . 1 . . . A 363 MET N . 25560 1 30 . 1 1 8 8 GLU C C 13 175.822 0.10 . 1 . . . A 364 GLU C . 25560 1 31 . 1 1 9 9 THR H H 1 8.568 0.020 . 1 . . . A 365 THR H . 25560 1 32 . 1 1 9 9 THR HA H 1 4.575 0.001 . 1 . . . A 365 THR HA . 25560 1 33 . 1 1 9 9 THR HB H 1 3.572 0.020 . 1 . . . A 365 THR HB . 25560 1 34 . 1 1 9 9 THR HG21 H 1 1.119 0.006 . 1 . . . A 365 THR QG2 . 25560 1 35 . 1 1 9 9 THR HG22 H 1 1.119 0.006 . 1 . . . A 365 THR QG2 . 25560 1 36 . 1 1 9 9 THR HG23 H 1 1.119 0.006 . 1 . . . A 365 THR QG2 . 25560 1 37 . 1 1 9 9 THR C C 13 172.171 0.10 . 1 . . . A 365 THR C . 25560 1 38 . 1 1 9 9 THR CA C 13 62.890 0.10 . 1 . . . A 365 THR CA . 25560 1 39 . 1 1 9 9 THR CB C 13 70.786 0.10 . 1 . . . A 365 THR CB . 25560 1 40 . 1 1 9 9 THR CG2 C 13 21.850 0.10 . 1 . . . A 365 THR CG2 . 25560 1 41 . 1 1 9 9 THR N N 15 121.793 0.10 . 1 . . . A 365 THR N . 25560 1 42 . 1 1 10 10 LYS H H 1 8.911 0.020 . 1 . . . A 366 LYS H . 25560 1 43 . 1 1 10 10 LYS HA H 1 5.860 0.020 . 1 . . . A 366 LYS HA . 25560 1 44 . 1 1 10 10 LYS HB2 H 1 1.639 0.020 . 1 . . . A 366 LYS HB2 . 25560 1 45 . 1 1 10 10 LYS HB3 H 1 1.639 0.020 . 1 . . . A 366 LYS HB3 . 25560 1 46 . 1 1 10 10 LYS HG2 H 1 1.312 0.020 . 1 . . . A 366 LYS HG2 . 25560 1 47 . 1 1 10 10 LYS HG3 H 1 1.312 0.020 . 1 . . . A 366 LYS HG3 . 25560 1 48 . 1 1 10 10 LYS HD2 H 1 1.575 0.020 . 1 . . . A 366 LYS HD2 . 25560 1 49 . 1 1 10 10 LYS HD3 H 1 1.575 0.020 . 1 . . . A 366 LYS HD3 . 25560 1 50 . 1 1 10 10 LYS HE2 H 1 2.891 0.020 . 1 . . . A 366 LYS HE2 . 25560 1 51 . 1 1 10 10 LYS HE3 H 1 2.891 0.020 . 1 . . . A 366 LYS HE3 . 25560 1 52 . 1 1 10 10 LYS C C 13 176.078 0.10 . 1 . . . A 366 LYS C . 25560 1 53 . 1 1 10 10 LYS CA C 13 54.618 0.10 . 1 . . . A 366 LYS CA . 25560 1 54 . 1 1 10 10 LYS CB C 13 37.335 0.10 . 1 . . . A 366 LYS CB . 25560 1 55 . 1 1 10 10 LYS CG C 13 24.387 0.10 . 1 . . . A 366 LYS CG . 25560 1 56 . 1 1 10 10 LYS CD C 13 29.890 0.10 . 1 . . . A 366 LYS CD . 25560 1 57 . 1 1 10 10 LYS CE C 13 41.978 0.10 . 1 . . . A 366 LYS CE . 25560 1 58 . 1 1 10 10 LYS N N 15 125.333 0.10 . 1 . . . A 366 LYS N . 25560 1 59 . 1 1 11 11 ARG H H 1 8.839 0.020 . 1 . . . A 367 ARG H . 25560 1 60 . 1 1 11 11 ARG HA H 1 4.470 0.020 . 1 . . . A 367 ARG HA . 25560 1 61 . 1 1 11 11 ARG HB2 H 1 2.280 0.020 . 2 . . . A 367 ARG HB2 . 25560 1 62 . 1 1 11 11 ARG HB3 H 1 1.590 0.020 . 2 . . . A 367 ARG HB3 . 25560 1 63 . 1 1 11 11 ARG HG2 H 1 1.751 0.020 . 2 . . . A 367 ARG HG2 . 25560 1 64 . 1 1 11 11 ARG HG3 H 1 1.859 0.020 . 2 . . . A 367 ARG HG3 . 25560 1 65 . 1 1 11 11 ARG HD2 H 1 3.592 0.020 . 2 . . . A 367 ARG HD2 . 25560 1 66 . 1 1 11 11 ARG HD3 H 1 3.115 0.020 . 2 . . . A 367 ARG HD3 . 25560 1 67 . 1 1 11 11 ARG C C 13 174.065 0.10 . 1 . . . A 367 ARG C . 25560 1 68 . 1 1 11 11 ARG CA C 13 57.464 0.10 . 1 . . . A 367 ARG CA . 25560 1 69 . 1 1 11 11 ARG CB C 13 35.582 0.146 . 1 . . . A 367 ARG CB . 25560 1 70 . 1 1 11 11 ARG CG C 13 28.272 0.10 . 1 . . . A 367 ARG CG . 25560 1 71 . 1 1 11 11 ARG CD C 13 44.520 0.026 . 1 . . . A 367 ARG CD . 25560 1 72 . 1 1 11 11 ARG N N 15 121.286 0.10 . 1 . . . A 367 ARG N . 25560 1 73 . 1 1 12 12 GLU H H 1 8.926 0.020 . 1 . . . A 368 GLU H . 25560 1 74 . 1 1 12 12 GLU HA H 1 5.389 0.020 . 1 . . . A 368 GLU HA . 25560 1 75 . 1 1 12 12 GLU HB2 H 1 2.080 0.020 . 2 . . . A 368 GLU HB2 . 25560 1 76 . 1 1 12 12 GLU HB3 H 1 1.958 0.020 . 2 . . . A 368 GLU HB3 . 25560 1 77 . 1 1 12 12 GLU HG2 H 1 2.346 0.020 . 2 . . . A 368 GLU HG2 . 25560 1 78 . 1 1 12 12 GLU HG3 H 1 2.249 0.020 . 2 . . . A 368 GLU HG3 . 25560 1 79 . 1 1 12 12 GLU C C 13 175.754 0.10 . 1 . . . A 368 GLU C . 25560 1 80 . 1 1 12 12 GLU CA C 13 55.946 0.10 . 1 . . . A 368 GLU CA . 25560 1 81 . 1 1 12 12 GLU CB C 13 29.944 0.10 . 1 . . . A 368 GLU CB . 25560 1 82 . 1 1 12 12 GLU CG C 13 36.688 0.10 . 1 . . . A 368 GLU CG . 25560 1 83 . 1 1 12 12 GLU N N 15 129.225 0.10 . 1 . . . A 368 GLU N . 25560 1 84 . 1 1 13 13 ILE H H 1 9.376 0.020 . 1 . . . A 369 ILE H . 25560 1 85 . 1 1 13 13 ILE HA H 1 4.444 0.020 . 1 . . . A 369 ILE HA . 25560 1 86 . 1 1 13 13 ILE HB H 1 1.959 0.020 . 1 . . . A 369 ILE HB . 25560 1 87 . 1 1 13 13 ILE HG12 H 1 1.107 0.020 . 2 . . . A 369 ILE HG12 . 25560 1 88 . 1 1 13 13 ILE HG13 H 1 1.599 0.020 . 2 . . . A 369 ILE HG13 . 25560 1 89 . 1 1 13 13 ILE HG21 H 1 1.057 0.020 . 1 . . . A 369 ILE QG2 . 25560 1 90 . 1 1 13 13 ILE HG22 H 1 1.057 0.020 . 1 . . . A 369 ILE QG2 . 25560 1 91 . 1 1 13 13 ILE HG23 H 1 1.057 0.020 . 1 . . . A 369 ILE QG2 . 25560 1 92 . 1 1 13 13 ILE HD11 H 1 0.753 0.020 . 1 . . . A 369 ILE QD1 . 25560 1 93 . 1 1 13 13 ILE HD12 H 1 0.753 0.020 . 1 . . . A 369 ILE QD1 . 25560 1 94 . 1 1 13 13 ILE HD13 H 1 0.753 0.020 . 1 . . . A 369 ILE QD1 . 25560 1 95 . 1 1 13 13 ILE C C 13 177.085 0.10 . 1 . . . A 369 ILE C . 25560 1 96 . 1 1 13 13 ILE CA C 13 61.613 0.10 . 1 . . . A 369 ILE CA . 25560 1 97 . 1 1 13 13 ILE CB C 13 42.191 0.10 . 1 . . . A 369 ILE CB . 25560 1 98 . 1 1 13 13 ILE CG1 C 13 27.948 0.10 . 1 . . . A 369 ILE CG1 . 25560 1 99 . 1 1 13 13 ILE CG2 C 13 17.290 0.10 . 1 . . . A 369 ILE CG2 . 25560 1 100 . 1 1 13 13 ILE CD1 C 13 14.376 0.10 . 1 . . . A 369 ILE CD1 . 25560 1 101 . 1 1 13 13 ILE N N 15 128.084 0.10 . 1 . . . A 369 ILE N . 25560 1 102 . 1 1 14 14 GLY H H 1 9.242 0.020 . 1 . . . A 370 GLY H . 25560 1 103 . 1 1 14 14 GLY HA2 H 1 4.007 0.020 . 2 . . . A 370 GLY HA2 . 25560 1 104 . 1 1 14 14 GLY HA3 H 1 4.086 0.020 . 2 . . . A 370 GLY HA3 . 25560 1 105 . 1 1 14 14 GLY C C 13 175.037 0.10 . 1 . . . A 370 GLY C . 25560 1 106 . 1 1 14 14 GLY CA C 13 47.351 0.10 . 1 . . . A 370 GLY CA . 25560 1 107 . 1 1 14 14 GLY N N 15 116.805 0.10 . 1 . . . A 370 GLY N . 25560 1 108 . 1 1 15 15 GLY H H 1 8.835 0.020 . 1 . . . A 371 GLY H . 25560 1 109 . 1 1 15 15 GLY HA2 H 1 3.490 0.020 . 2 . . . A 371 GLY HA2 . 25560 1 110 . 1 1 15 15 GLY HA3 H 1 3.990 0.020 . 2 . . . A 371 GLY HA3 . 25560 1 111 . 1 1 15 15 GLY C C 13 173.492 0.10 . 1 . . . A 371 GLY C . 25560 1 112 . 1 1 15 15 GLY CA C 13 44.752 0.10 . 1 . . . A 371 GLY CA . 25560 1 113 . 1 1 15 15 GLY N N 15 105.788 0.10 . 1 . . . A 371 GLY N . 25560 1 114 . 1 1 16 16 TYR H H 1 7.628 0.020 . 1 . . . A 372 TYR H . 25560 1 115 . 1 1 16 16 TYR HA H 1 4.893 0.020 . 1 . . . A 372 TYR HA . 25560 1 116 . 1 1 16 16 TYR HB2 H 1 2.261 0.020 . 2 . . . A 372 TYR HB2 . 25560 1 117 . 1 1 16 16 TYR HB3 H 1 2.556 0.020 . 2 . . . A 372 TYR HB3 . 25560 1 118 . 1 1 16 16 TYR HD1 H 1 7.212 0.001 . 1 . . . A 372 TYR HD1 . 25560 1 119 . 1 1 16 16 TYR HD2 H 1 7.212 0.001 . 1 . . . A 372 TYR HD2 . 25560 1 120 . 1 1 16 16 TYR HE1 H 1 6.820 0.002 . 1 . . . A 372 TYR HE1 . 25560 1 121 . 1 1 16 16 TYR HE2 H 1 6.820 0.002 . 1 . . . A 372 TYR HE2 . 25560 1 122 . 1 1 16 16 TYR C C 13 174.592 0.10 . 1 . . . A 372 TYR C . 25560 1 123 . 1 1 16 16 TYR CA C 13 56.434 0.10 . 1 . . . A 372 TYR CA . 25560 1 124 . 1 1 16 16 TYR CB C 13 42.516 0.10 . 1 . . . A 372 TYR CB . 25560 1 125 . 1 1 16 16 TYR CD2 C 13 134.380 0.10 . 1 . . . A 372 TYR CD2 . 25560 1 126 . 1 1 16 16 TYR CE2 C 13 118.584 0.10 . 1 . . . A 372 TYR CE2 . 25560 1 127 . 1 1 16 16 TYR N N 15 118.749 0.10 . 1 . . . A 372 TYR N . 25560 1 128 . 1 1 17 17 THR H H 1 9.263 0.020 . 1 . . . A 373 THR H . 25560 1 129 . 1 1 17 17 THR HA H 1 4.563 0.020 . 1 . . . A 373 THR HA . 25560 1 130 . 1 1 17 17 THR HB H 1 4.127 0.020 . 1 . . . A 373 THR HB . 25560 1 131 . 1 1 17 17 THR HG21 H 1 0.982 0.020 . 1 . . . A 373 THR QG2 . 25560 1 132 . 1 1 17 17 THR HG22 H 1 0.982 0.020 . 1 . . . A 373 THR QG2 . 25560 1 133 . 1 1 17 17 THR HG23 H 1 0.982 0.020 . 1 . . . A 373 THR QG2 . 25560 1 134 . 1 1 17 17 THR C C 13 175.141 0.10 . 1 . . . A 373 THR C . 25560 1 135 . 1 1 17 17 THR CA C 13 63.555 0.10 . 1 . . . A 373 THR CA . 25560 1 136 . 1 1 17 17 THR CB C 13 68.637 0.10 . 1 . . . A 373 THR CB . 25560 1 137 . 1 1 17 17 THR CG2 C 13 21.360 0.10 . 1 . . . A 373 THR CG2 . 25560 1 138 . 1 1 17 17 THR N N 15 118.170 0.10 . 1 . . . A 373 THR N . 25560 1 139 . 1 1 18 18 TYR H H 1 9.165 0.020 . 1 . . . A 374 TYR H . 25560 1 140 . 1 1 18 18 TYR HA H 1 5.183 0.020 . 1 . . . A 374 TYR HA . 25560 1 141 . 1 1 18 18 TYR HB2 H 1 2.579 0.020 . 2 . . . A 374 TYR HB2 . 25560 1 142 . 1 1 18 18 TYR HB3 H 1 2.876 0.020 . 2 . . . A 374 TYR HB3 . 25560 1 143 . 1 1 18 18 TYR HD1 H 1 6.971 0.002 . 1 . . . A 374 TYR HD1 . 25560 1 144 . 1 1 18 18 TYR HD2 H 1 6.971 0.002 . 1 . . . A 374 TYR HD2 . 25560 1 145 . 1 1 18 18 TYR HE1 H 1 6.647 0.001 . 1 . . . A 374 TYR HE1 . 25560 1 146 . 1 1 18 18 TYR HE2 H 1 6.647 0.001 . 1 . . . A 374 TYR HE2 . 25560 1 147 . 1 1 18 18 TYR C C 13 174.317 0.10 . 1 . . . A 374 TYR C . 25560 1 148 . 1 1 18 18 TYR CA C 13 58.376 0.10 . 1 . . . A 374 TYR CA . 25560 1 149 . 1 1 18 18 TYR CB C 13 40.563 0.10 . 1 . . . A 374 TYR CB . 25560 1 150 . 1 1 18 18 TYR CD2 C 13 133.022 0.10 . 1 . . . A 374 TYR CD2 . 25560 1 151 . 1 1 18 18 TYR CE2 C 13 118.325 0.10 . 1 . . . A 374 TYR CE2 . 25560 1 152 . 1 1 18 18 TYR N N 15 130.644 0.10 . 1 . . . A 374 TYR N . 25560 1 153 . 1 1 19 19 LYS H H 1 8.782 0.020 . 1 . . . A 375 LYS H . 25560 1 154 . 1 1 19 19 LYS HA H 1 5.198 0.020 . 1 . . . A 375 LYS HA . 25560 1 155 . 1 1 19 19 LYS HB2 H 1 1.815 0.020 . 2 . . . A 375 LYS HB2 . 25560 1 156 . 1 1 19 19 LYS HB3 H 1 1.568 0.020 . 2 . . . A 375 LYS HB3 . 25560 1 157 . 1 1 19 19 LYS HG2 H 1 1.269 0.020 . 2 . . . A 375 LYS HG2 . 25560 1 158 . 1 1 19 19 LYS HG3 H 1 1.119 0.020 . 2 . . . A 375 LYS HG3 . 25560 1 159 . 1 1 19 19 LYS HD2 H 1 1.465 0.020 . 1 . . . A 375 LYS HD2 . 25560 1 160 . 1 1 19 19 LYS HD3 H 1 1.465 0.020 . 1 . . . A 375 LYS HD3 . 25560 1 161 . 1 1 19 19 LYS HE2 H 1 2.669 0.020 . 1 . . . A 375 LYS HE2 . 25560 1 162 . 1 1 19 19 LYS HE3 H 1 2.669 0.020 . 1 . . . A 375 LYS HE3 . 25560 1 163 . 1 1 19 19 LYS C C 13 174.897 0.10 . 1 . . . A 375 LYS C . 25560 1 164 . 1 1 19 19 LYS CA C 13 54.815 0.10 . 1 . . . A 375 LYS CA . 25560 1 165 . 1 1 19 19 LYS CB C 13 36.822 0.10 . 1 . . . A 375 LYS CB . 25560 1 166 . 1 1 19 19 LYS CG C 13 25.358 0.10 . 1 . . . A 375 LYS CG . 25560 1 167 . 1 1 19 19 LYS CD C 13 29.566 0.10 . 1 . . . A 375 LYS CD . 25560 1 168 . 1 1 19 19 LYS CE C 13 41.867 0.10 . 1 . . . A 375 LYS CE . 25560 1 169 . 1 1 19 19 LYS N N 15 121.820 0.10 . 1 . . . A 375 LYS N . 25560 1 170 . 1 1 20 20 VAL H H 1 9.115 0.020 . 1 . . . A 376 VAL H . 25560 1 171 . 1 1 20 20 VAL HA H 1 4.186 0.020 . 1 . . . A 376 VAL HA . 25560 1 172 . 1 1 20 20 VAL HB H 1 1.736 0.020 . 1 . . . A 376 VAL HB . 25560 1 173 . 1 1 20 20 VAL HG11 H 1 0.566 0.020 . 2 . . . A 376 VAL QG1 . 25560 1 174 . 1 1 20 20 VAL HG12 H 1 0.566 0.020 . 2 . . . A 376 VAL QG1 . 25560 1 175 . 1 1 20 20 VAL HG13 H 1 0.566 0.020 . 2 . . . A 376 VAL QG1 . 25560 1 176 . 1 1 20 20 VAL HG21 H 1 0.833 0.020 . 2 . . . A 376 VAL QG2 . 25560 1 177 . 1 1 20 20 VAL HG22 H 1 0.833 0.020 . 2 . . . A 376 VAL QG2 . 25560 1 178 . 1 1 20 20 VAL HG23 H 1 0.833 0.020 . 2 . . . A 376 VAL QG2 . 25560 1 179 . 1 1 20 20 VAL C C 13 174.698 0.10 . 1 . . . A 376 VAL C . 25560 1 180 . 1 1 20 20 VAL CA C 13 61.903 0.10 . 1 . . . A 376 VAL CA . 25560 1 181 . 1 1 20 20 VAL CB C 13 34.422 0.10 . 1 . . . A 376 VAL CB . 25560 1 182 . 1 1 20 20 VAL CG1 C 13 20.203 0.10 . 1 . . . A 376 VAL CG1 . 25560 1 183 . 1 1 20 20 VAL CG2 C 13 20.574 0.10 . 1 . . . A 376 VAL CG2 . 25560 1 184 . 1 1 20 20 VAL N N 15 126.333 0.10 . 1 . . . A 376 VAL N . 25560 1 185 . 1 1 21 21 VAL H H 1 8.766 0.020 . 1 . . . A 377 VAL H . 25560 1 186 . 1 1 21 21 VAL HA H 1 4.886 0.020 . 1 . . . A 377 VAL HA . 25560 1 187 . 1 1 21 21 VAL HB H 1 2.508 0.020 . 1 . . . A 377 VAL HB . 25560 1 188 . 1 1 21 21 VAL HG11 H 1 0.936 0.020 . 2 . . . A 377 VAL QG1 . 25560 1 189 . 1 1 21 21 VAL HG12 H 1 0.936 0.020 . 2 . . . A 377 VAL QG1 . 25560 1 190 . 1 1 21 21 VAL HG13 H 1 0.936 0.020 . 2 . . . A 377 VAL QG1 . 25560 1 191 . 1 1 21 21 VAL HG21 H 1 1.041 0.020 . 2 . . . A 377 VAL QG2 . 25560 1 192 . 1 1 21 21 VAL HG22 H 1 1.041 0.020 . 2 . . . A 377 VAL QG2 . 25560 1 193 . 1 1 21 21 VAL HG23 H 1 1.041 0.020 . 2 . . . A 377 VAL QG2 . 25560 1 194 . 1 1 21 21 VAL C C 13 179.952 0.10 . 1 . . . A 377 VAL C . 25560 1 195 . 1 1 21 21 VAL CA C 13 61.031 0.10 . 1 . . . A 377 VAL CA . 25560 1 196 . 1 1 21 21 VAL CB C 13 32.480 0.10 . 1 . . . A 377 VAL CB . 25560 1 197 . 1 1 21 21 VAL CG1 C 13 22.769 0.10 . 1 . . . A 377 VAL CG1 . 25560 1 198 . 1 1 21 21 VAL CG2 C 13 20.844 0.010 . 1 . . . A 377 VAL CG2 . 25560 1 199 . 1 1 21 21 VAL N N 15 127.415 0.10 . 1 . . . A 377 VAL N . 25560 1 200 . 1 1 22 22 PHE H H 1 9.064 0.020 . 1 . . . A 378 PHE H . 25560 1 201 . 1 1 22 22 PHE HA H 1 3.900 0.020 . 1 . . . A 378 PHE HA . 25560 1 202 . 1 1 22 22 PHE HB2 H 1 3.318 0.020 . 2 . . . A 378 PHE HB2 . 25560 1 203 . 1 1 22 22 PHE HB3 H 1 2.586 0.020 . 2 . . . A 378 PHE HB3 . 25560 1 204 . 1 1 22 22 PHE HD1 H 1 7.087 0.020 . 1 . . . A 378 PHE HD1 . 25560 1 205 . 1 1 22 22 PHE HD2 H 1 7.087 0.020 . 1 . . . A 378 PHE HD2 . 25560 1 206 . 1 1 22 22 PHE HE1 H 1 7.059 0.020 . 1 . . . A 378 PHE HE1 . 25560 1 207 . 1 1 22 22 PHE HE2 H 1 7.059 0.020 . 1 . . . A 378 PHE HE2 . 25560 1 208 . 1 1 22 22 PHE CA C 13 60.318 0.10 . 1 . . . A 378 PHE CA . 25560 1 209 . 1 1 22 22 PHE CB C 13 37.821 0.162 . 1 . . . A 378 PHE CB . 25560 1 210 . 1 1 22 22 PHE CD2 C 13 133.862 0.10 . 1 . . . A 378 PHE CD2 . 25560 1 211 . 1 1 22 22 PHE CE2 C 13 130.496 0.10 . 1 . . . A 378 PHE CE2 . 25560 1 212 . 1 1 22 22 PHE N N 15 131.660 0.10 . 1 . . . A 378 PHE N . 25560 1 213 . 1 1 23 23 TYR H H 1 6.441 0.020 . 1 . . . A 379 TYR H . 25560 1 214 . 1 1 23 23 TYR HA H 1 2.952 0.020 . 1 . . . A 379 TYR HA . 25560 1 215 . 1 1 23 23 TYR HB2 H 1 2.976 0.020 . 1 . . . A 379 TYR HB2 . 25560 1 216 . 1 1 23 23 TYR HB3 H 1 2.976 0.020 . 1 . . . A 379 TYR HB3 . 25560 1 217 . 1 1 23 23 TYR HD1 H 1 5.832 0.020 . 1 . . . A 379 TYR HD1 . 25560 1 218 . 1 1 23 23 TYR HD2 H 1 5.832 0.020 . 1 . . . A 379 TYR HD2 . 25560 1 219 . 1 1 23 23 TYR HE1 H 1 6.667 0.020 . 1 . . . A 379 TYR HE1 . 25560 1 220 . 1 1 23 23 TYR HE2 H 1 6.667 0.020 . 1 . . . A 379 TYR HE2 . 25560 1 221 . 1 1 23 23 TYR C C 13 173.354 0.10 . 1 . . . A 379 TYR C . 25560 1 222 . 1 1 23 23 TYR CA C 13 60.642 0.10 . 1 . . . A 379 TYR CA . 25560 1 223 . 1 1 23 23 TYR CB C 13 35.393 0.10 . 1 . . . A 379 TYR CB . 25560 1 224 . 1 1 23 23 TYR CD1 C 13 131.791 0.10 . 1 . . . A 379 TYR CD1 . 25560 1 225 . 1 1 23 23 TYR CE1 C 13 118.325 0.10 . 1 . . . A 379 TYR CE1 . 25560 1 226 . 1 1 23 23 TYR N N 15 111.498 0.10 . 1 . . . A 379 TYR N . 25560 1 227 . 1 1 24 24 GLU H H 1 7.853 0.020 . 1 . . . A 380 GLU H . 25560 1 228 . 1 1 24 24 GLU HA H 1 5.070 0.020 . 1 . . . A 380 GLU HA . 25560 1 229 . 1 1 24 24 GLU HB2 H 1 1.713 0.001 . 2 . . . A 380 GLU HB2 . 25560 1 230 . 1 1 24 24 GLU HB3 H 1 2.176 0.001 . 2 . . . A 380 GLU HB3 . 25560 1 231 . 1 1 24 24 GLU HG2 H 1 2.317 0.011 . 2 . . . A 380 GLU HG2 . 25560 1 232 . 1 1 24 24 GLU HG3 H 1 2.275 0.003 . 2 . . . A 380 GLU HG3 . 25560 1 233 . 1 1 24 24 GLU C C 13 174.225 0.10 . 1 . . . A 380 GLU C . 25560 1 234 . 1 1 24 24 GLU CA C 13 58.376 0.10 . 1 . . . A 380 GLU CA . 25560 1 235 . 1 1 24 24 GLU CB C 13 32.156 0.10 . 1 . . . A 380 GLU CB . 25560 1 236 . 1 1 24 24 GLU CG C 13 36.688 0.10 . 1 . . . A 380 GLU CG . 25560 1 237 . 1 1 24 24 GLU N N 15 115.360 0.10 . 1 . . . A 380 GLU N . 25560 1 238 . 1 1 25 25 ASN H H 1 7.973 0.020 . 1 . . . A 381 ASN H . 25560 1 239 . 1 1 25 25 ASN HA H 1 5.729 0.020 . 1 . . . A 381 ASN HA . 25560 1 240 . 1 1 25 25 ASN HB2 H 1 2.401 0.020 . 2 . . . A 381 ASN HB2 . 25560 1 241 . 1 1 25 25 ASN HB3 H 1 3.376 0.020 . 2 . . . A 381 ASN HB3 . 25560 1 242 . 1 1 25 25 ASN HD21 H 1 7.855 0.020 . 2 . . . A 381 ASN HD21 . 25560 1 243 . 1 1 25 25 ASN HD22 H 1 6.962 0.020 . 2 . . . A 381 ASN HD22 . 25560 1 244 . 1 1 25 25 ASN C C 13 172.133 0.10 . 1 . . . A 381 ASN C . 25560 1 245 . 1 1 25 25 ASN CA C 13 52.225 0.10 . 1 . . . A 381 ASN CA . 25560 1 246 . 1 1 25 25 ASN CB C 13 42.105 0.10 . 1 . . . A 381 ASN CB . 25560 1 247 . 1 1 25 25 ASN N N 15 120.245 0.10 . 1 . . . A 381 ASN N . 25560 1 248 . 1 1 25 25 ASN ND2 N 15 114.126 0.003 . 1 . . . A 381 ASN ND2 . 25560 1 249 . 1 1 26 26 VAL H H 1 7.355 0.020 . 1 . . . A 382 VAL H . 25560 1 250 . 1 1 26 26 VAL HA H 1 4.890 0.020 . 1 . . . A 382 VAL HA . 25560 1 251 . 1 1 26 26 VAL HB H 1 1.044 0.020 . 1 . . . A 382 VAL HB . 25560 1 252 . 1 1 26 26 VAL HG11 H 1 0.577 0.020 . 2 . . . A 382 VAL QG1 . 25560 1 253 . 1 1 26 26 VAL HG12 H 1 0.577 0.020 . 2 . . . A 382 VAL QG1 . 25560 1 254 . 1 1 26 26 VAL HG13 H 1 0.577 0.020 . 2 . . . A 382 VAL QG1 . 25560 1 255 . 1 1 26 26 VAL HG21 H 1 -0.165 0.020 . 2 . . . A 382 VAL QG2 . 25560 1 256 . 1 1 26 26 VAL HG22 H 1 -0.165 0.020 . 2 . . . A 382 VAL QG2 . 25560 1 257 . 1 1 26 26 VAL HG23 H 1 -0.165 0.020 . 2 . . . A 382 VAL QG2 . 25560 1 258 . 1 1 26 26 VAL C C 13 174.072 0.10 . 1 . . . A 382 VAL C . 25560 1 259 . 1 1 26 26 VAL CA C 13 60.386 0.10 . 1 . . . A 382 VAL CA . 25560 1 260 . 1 1 26 26 VAL CB C 13 35.425 0.10 . 1 . . . A 382 VAL CB . 25560 1 261 . 1 1 26 26 VAL CG1 C 13 22.145 0.10 . 1 . . . A 382 VAL CG1 . 25560 1 262 . 1 1 26 26 VAL CG2 C 13 20.826 0.10 . 1 . . . A 382 VAL CG2 . 25560 1 263 . 1 1 26 26 VAL N N 15 115.683 0.10 . 1 . . . A 382 VAL N . 25560 1 264 . 1 1 27 27 PHE H H 1 9.174 0.020 . 1 . . . A 383 PHE H . 25560 1 265 . 1 1 27 27 PHE HA H 1 5.316 0.020 . 1 . . . A 383 PHE HA . 25560 1 266 . 1 1 27 27 PHE HB2 H 1 2.692 0.020 . 2 . . . A 383 PHE HB2 . 25560 1 267 . 1 1 27 27 PHE HB3 H 1 3.166 0.020 . 2 . . . A 383 PHE HB3 . 25560 1 268 . 1 1 27 27 PHE HD1 H 1 6.869 0.002 . 1 . . . A 383 PHE HD1 . 25560 1 269 . 1 1 27 27 PHE HD2 H 1 6.869 0.002 . 1 . . . A 383 PHE HD2 . 25560 1 270 . 1 1 27 27 PHE HE1 H 1 7.256 0.020 . 1 . . . A 383 PHE HE1 . 25560 1 271 . 1 1 27 27 PHE HE2 H 1 7.256 0.020 . 1 . . . A 383 PHE HE2 . 25560 1 272 . 1 1 27 27 PHE HZ H 1 7.301 0.020 . 1 . . . A 383 PHE HZ . 25560 1 273 . 1 1 27 27 PHE C C 13 174.592 0.10 . 1 . . . A 383 PHE C . 25560 1 274 . 1 1 27 27 PHE CA C 13 57.388 0.10 . 1 . . . A 383 PHE CA . 25560 1 275 . 1 1 27 27 PHE CB C 13 45.087 0.10 . 1 . . . A 383 PHE CB . 25560 1 276 . 1 1 27 27 PHE CD2 C 13 131.791 0.10 . 1 . . . A 383 PHE CD2 . 25560 1 277 . 1 1 27 27 PHE CE2 C 13 131.791 0.10 . 1 . . . A 383 PHE CE2 . 25560 1 278 . 1 1 27 27 PHE CZ C 13 130.496 0.10 . 1 . . . A 383 PHE CZ . 25560 1 279 . 1 1 27 27 PHE N N 15 124.373 0.10 . 1 . . . A 383 PHE N . 25560 1 280 . 1 1 28 28 GLN H H 1 8.831 0.020 . 1 . . . A 384 GLN H . 25560 1 281 . 1 1 28 28 GLN HA H 1 4.023 0.020 . 1 . . . A 384 GLN HA . 25560 1 282 . 1 1 28 28 GLN HB2 H 1 1.874 0.020 . 2 . . . A 384 GLN HB2 . 25560 1 283 . 1 1 28 28 GLN HB3 H 1 1.232 0.020 . 2 . . . A 384 GLN HB3 . 25560 1 284 . 1 1 28 28 GLN HG2 H 1 1.016 0.020 . 2 . . . A 384 GLN HG2 . 25560 1 285 . 1 1 28 28 GLN HG3 H 1 1.240 0.020 . 2 . . . A 384 GLN HG3 . 25560 1 286 . 1 1 28 28 GLN HE21 H 1 6.388 0.020 . 2 . . . A 384 GLN HE21 . 25560 1 287 . 1 1 28 28 GLN HE22 H 1 5.358 0.020 . 2 . . . A 384 GLN HE22 . 25560 1 288 . 1 1 28 28 GLN C C 13 174.408 0.10 . 1 . . . A 384 GLN C . 25560 1 289 . 1 1 28 28 GLN CA C 13 54.694 0.10 . 1 . . . A 384 GLN CA . 25560 1 290 . 1 1 28 28 GLN CB C 13 32.986 0.10 . 1 . . . A 384 GLN CB . 25560 1 291 . 1 1 28 28 GLN CG C 13 35.204 0.160 . 1 . . . A 384 GLN CG . 25560 1 292 . 1 1 28 28 GLN N N 15 121.774 0.10 . 1 . . . A 384 GLN N . 25560 1 293 . 1 1 28 28 GLN NE2 N 15 110.899 0.10 . 1 . . . A 384 GLN NE2 . 25560 1 294 . 1 1 29 29 ASP H H 1 9.536 0.020 . 1 . . . A 385 ASP H . 25560 1 295 . 1 1 29 29 ASP HA H 1 4.178 0.020 . 1 . . . A 385 ASP HA . 25560 1 296 . 1 1 29 29 ASP HB2 H 1 2.882 0.020 . 2 . . . A 385 ASP HB2 . 25560 1 297 . 1 1 29 29 ASP HB3 H 1 3.237 0.020 . 2 . . . A 385 ASP HB3 . 25560 1 298 . 1 1 29 29 ASP C C 13 176.394 0.10 . 1 . . . A 385 ASP C . 25560 1 299 . 1 1 29 29 ASP CA C 13 58.135 0.10 . 1 . . . A 385 ASP CA . 25560 1 300 . 1 1 29 29 ASP CB C 13 39.226 0.10 . 1 . . . A 385 ASP CB . 25560 1 301 . 1 1 29 29 ASP N N 15 127.342 0.10 . 1 . . . A 385 ASP N . 25560 1 302 . 1 1 30 30 SER H H 1 8.208 0.020 . 1 . . . A 386 SER H . 25560 1 303 . 1 1 30 30 SER HA H 1 4.606 0.020 . 1 . . . A 386 SER HA . 25560 1 304 . 1 1 30 30 SER HB2 H 1 4.013 0.020 . 1 . . . A 386 SER HB2 . 25560 1 305 . 1 1 30 30 SER HB3 H 1 4.013 0.020 . 1 . . . A 386 SER HB3 . 25560 1 306 . 1 1 30 30 SER C C 13 173.935 0.10 . 1 . . . A 386 SER C . 25560 1 307 . 1 1 30 30 SER CA C 13 58.700 0.10 . 1 . . . A 386 SER CA . 25560 1 308 . 1 1 30 30 SER CB C 13 63.999 0.10 . 1 . . . A 386 SER CB . 25560 1 309 . 1 1 30 30 SER N N 15 118.793 0.10 . 1 . . . A 386 SER N . 25560 1 310 . 1 1 31 31 ILE H H 1 8.938 0.020 . 1 . . . A 387 ILE H . 25560 1 311 . 1 1 31 31 ILE HA H 1 4.063 0.020 . 1 . . . A 387 ILE HA . 25560 1 312 . 1 1 31 31 ILE HB H 1 2.225 0.020 . 1 . . . A 387 ILE HB . 25560 1 313 . 1 1 31 31 ILE HG12 H 1 1.689 0.020 . 2 . . . A 387 ILE HG12 . 25560 1 314 . 1 1 31 31 ILE HG13 H 1 1.172 0.020 . 2 . . . A 387 ILE HG13 . 25560 1 315 . 1 1 31 31 ILE HG21 H 1 0.619 0.003 . 1 . . . A 387 ILE QG2 . 25560 1 316 . 1 1 31 31 ILE HG22 H 1 0.619 0.003 . 1 . . . A 387 ILE QG2 . 25560 1 317 . 1 1 31 31 ILE HG23 H 1 0.619 0.003 . 1 . . . A 387 ILE QG2 . 25560 1 318 . 1 1 31 31 ILE HD11 H 1 0.852 0.020 . 1 . . . A 387 ILE QD1 . 25560 1 319 . 1 1 31 31 ILE HD12 H 1 0.852 0.020 . 1 . . . A 387 ILE QD1 . 25560 1 320 . 1 1 31 31 ILE HD13 H 1 0.852 0.020 . 1 . . . A 387 ILE QD1 . 25560 1 321 . 1 1 31 31 ILE C C 13 175.248 0.10 . 1 . . . A 387 ILE C . 25560 1 322 . 1 1 31 31 ILE CA C 13 61.372 0.10 . 1 . . . A 387 ILE CA . 25560 1 323 . 1 1 31 31 ILE CB C 13 38.327 0.10 . 1 . . . A 387 ILE CB . 25560 1 324 . 1 1 31 31 ILE CG1 C 13 27.948 0.10 . 1 . . . A 387 ILE CG1 . 25560 1 325 . 1 1 31 31 ILE CG2 C 13 16.642 0.10 . 1 . . . A 387 ILE CG2 . 25560 1 326 . 1 1 31 31 ILE CD1 C 13 12.758 0.10 . 1 . . . A 387 ILE CD1 . 25560 1 327 . 1 1 31 31 ILE N N 15 125.125 0.10 . 1 . . . A 387 ILE N . 25560 1 328 . 1 1 32 32 LEU H H 1 8.520 0.020 . 1 . . . A 388 LEU H . 25560 1 329 . 1 1 32 32 LEU HA H 1 3.715 0.020 . 1 . . . A 388 LEU HA . 25560 1 330 . 1 1 32 32 LEU HB2 H 1 1.473 0.020 . 2 . . . A 388 LEU HB2 . 25560 1 331 . 1 1 32 32 LEU HB3 H 1 1.882 0.020 . 2 . . . A 388 LEU HB3 . 25560 1 332 . 1 1 32 32 LEU HG H 1 0.960 0.020 . 1 . . . A 388 LEU HG . 25560 1 333 . 1 1 32 32 LEU HD11 H 1 0.490 0.020 . 1 . . . A 388 LEU QD1 . 25560 1 334 . 1 1 32 32 LEU HD12 H 1 0.490 0.020 . 1 . . . A 388 LEU QD1 . 25560 1 335 . 1 1 32 32 LEU HD13 H 1 0.490 0.020 . 1 . . . A 388 LEU QD1 . 25560 1 336 . 1 1 32 32 LEU HD21 H 1 0.490 0.020 . 1 . . . A 388 LEU QD2 . 25560 1 337 . 1 1 32 32 LEU HD22 H 1 0.490 0.020 . 1 . . . A 388 LEU QD2 . 25560 1 338 . 1 1 32 32 LEU HD23 H 1 0.490 0.020 . 1 . . . A 388 LEU QD2 . 25560 1 339 . 1 1 32 32 LEU C C 13 176.058 0.10 . 1 . . . A 388 LEU C . 25560 1 340 . 1 1 32 32 LEU CA C 13 55.567 0.10 . 1 . . . A 388 LEU CA . 25560 1 341 . 1 1 32 32 LEU CB C 13 43.271 0.10 . 1 . . . A 388 LEU CB . 25560 1 342 . 1 1 32 32 LEU CG C 13 26.653 0.10 . 1 . . . A 388 LEU CG . 25560 1 343 . 1 1 32 32 LEU CD1 C 13 23.092 0.10 . 1 . . . A 388 LEU CD1 . 25560 1 344 . 1 1 32 32 LEU N N 15 130.240 0.10 . 1 . . . A 388 LEU N . 25560 1 345 . 1 1 33 33 LEU H H 1 9.140 0.020 . 1 . . . A 389 LEU H . 25560 1 346 . 1 1 33 33 LEU HA H 1 4.123 0.020 . 1 . . . A 389 LEU HA . 25560 1 347 . 1 1 33 33 LEU HB2 H 1 1.073 0.020 . 1 . . . A 389 LEU HB2 . 25560 1 348 . 1 1 33 33 LEU HB3 H 1 1.073 0.020 . 1 . . . A 389 LEU HB3 . 25560 1 349 . 1 1 33 33 LEU HG H 1 1.262 0.020 . 1 . . . A 389 LEU HG . 25560 1 350 . 1 1 33 33 LEU HD11 H 1 0.240 0.020 . 1 . . . A 389 LEU QD1 . 25560 1 351 . 1 1 33 33 LEU HD12 H 1 0.240 0.020 . 1 . . . A 389 LEU QD1 . 25560 1 352 . 1 1 33 33 LEU HD13 H 1 0.240 0.020 . 1 . . . A 389 LEU QD1 . 25560 1 353 . 1 1 33 33 LEU HD21 H 1 0.240 0.020 . 1 . . . A 389 LEU QD2 . 25560 1 354 . 1 1 33 33 LEU HD22 H 1 0.240 0.020 . 1 . . . A 389 LEU QD2 . 25560 1 355 . 1 1 33 33 LEU HD23 H 1 0.240 0.020 . 1 . . . A 389 LEU QD2 . 25560 1 356 . 1 1 33 33 LEU C C 13 175.126 0.10 . 1 . . . A 389 LEU C . 25560 1 357 . 1 1 33 33 LEU CA C 13 55.222 0.10 . 1 . . . A 389 LEU CA . 25560 1 358 . 1 1 33 33 LEU CB C 13 41.444 0.10 . 1 . . . A 389 LEU CB . 25560 1 359 . 1 1 33 33 LEU CG C 13 27.300 0.10 . 1 . . . A 389 LEU CG . 25560 1 360 . 1 1 33 33 LEU CD1 C 13 24.063 0.10 . 1 . . . A 389 LEU CD1 . 25560 1 361 . 1 1 33 33 LEU N N 15 128.636 0.10 . 1 . . . A 389 LEU N . 25560 1 362 . 1 1 34 34 GLY H H 1 6.339 0.020 . 1 . . . A 390 GLY H . 25560 1 363 . 1 1 34 34 GLY HA2 H 1 3.161 0.020 . 2 . . . A 390 GLY HA2 . 25560 1 364 . 1 1 34 34 GLY HA3 H 1 3.774 0.020 . 2 . . . A 390 GLY HA3 . 25560 1 365 . 1 1 34 34 GLY C C 13 171.140 0.10 . 1 . . . A 390 GLY C . 25560 1 366 . 1 1 34 34 GLY CA C 13 45.751 0.10 . 1 . . . A 390 GLY CA . 25560 1 367 . 1 1 34 34 GLY N N 15 129.225 0.10 . 1 . . . A 390 GLY N . 25560 1 368 . 1 1 35 35 ASN H H 1 9.298 0.020 . 1 . . . A 391 ASN H . 25560 1 369 . 1 1 35 35 ASN HA H 1 5.819 0.020 . 1 . . . A 391 ASN HA . 25560 1 370 . 1 1 35 35 ASN HB2 H 1 2.794 0.020 . 2 . . . A 391 ASN HB2 . 25560 1 371 . 1 1 35 35 ASN HB3 H 1 2.951 0.020 . 2 . . . A 391 ASN HB3 . 25560 1 372 . 1 1 35 35 ASN HD21 H 1 7.599 0.020 . 2 . . . A 391 ASN HD21 . 25560 1 373 . 1 1 35 35 ASN HD22 H 1 6.806 0.020 . 2 . . . A 391 ASN HD22 . 25560 1 374 . 1 1 35 35 ASN C C 13 176.882 0.10 . 1 . . . A 391 ASN C . 25560 1 375 . 1 1 35 35 ASN CA C 13 52.209 0.10 . 1 . . . A 391 ASN CA . 25560 1 376 . 1 1 35 35 ASN CB C 13 41.951 0.10 . 1 . . . A 391 ASN CB . 25560 1 377 . 1 1 35 35 ASN N N 15 119.735 0.10 . 1 . . . A 391 ASN N . 25560 1 378 . 1 1 35 35 ASN ND2 N 15 112.682 0.001 . 1 . . . A 391 ASN ND2 . 25560 1 379 . 1 1 36 36 PHE H H 1 8.686 0.020 . 1 . . . A 392 PHE H . 25560 1 380 . 1 1 36 36 PHE HA H 1 3.166 0.020 . 1 . . . A 392 PHE HA . 25560 1 381 . 1 1 36 36 PHE HB2 H 1 2.447 0.020 . 2 . . . A 392 PHE HB2 . 25560 1 382 . 1 1 36 36 PHE HB3 H 1 2.585 0.020 . 2 . . . A 392 PHE HB3 . 25560 1 383 . 1 1 36 36 PHE HD1 H 1 7.085 0.001 . 1 . . . A 392 PHE HD1 . 25560 1 384 . 1 1 36 36 PHE HD2 H 1 7.085 0.001 . 1 . . . A 392 PHE HD2 . 25560 1 385 . 1 1 36 36 PHE HE1 H 1 7.081 0.020 . 1 . . . A 392 PHE HE1 . 25560 1 386 . 1 1 36 36 PHE HE2 H 1 7.081 0.020 . 1 . . . A 392 PHE HE2 . 25560 1 387 . 1 1 36 36 PHE HZ H 1 7.036 0.020 . 1 . . . A 392 PHE HZ . 25560 1 388 . 1 1 36 36 PHE CA C 13 61.613 0.10 . 1 . . . A 392 PHE CA . 25560 1 389 . 1 1 36 36 PHE CB C 13 38.630 0.10 . 1 . . . A 392 PHE CB . 25560 1 390 . 1 1 36 36 PHE CD2 C 13 133.862 0.10 . 1 . . . A 392 PHE CD2 . 25560 1 391 . 1 1 36 36 PHE CE2 C 13 133.862 0.10 . 1 . . . A 392 PHE CE2 . 25560 1 392 . 1 1 36 36 PHE CZ C 13 130.237 0.10 . 1 . . . A 392 PHE CZ . 25560 1 393 . 1 1 36 36 PHE N N 15 124.120 0.10 . 1 . . . A 392 PHE N . 25560 1 394 . 1 1 37 37 ALA H H 1 8.501 0.020 . 1 . . . A 393 ALA H . 25560 1 395 . 1 1 37 37 ALA HA H 1 4.312 0.020 . 1 . . . A 393 ALA HA . 25560 1 396 . 1 1 37 37 ALA HB1 H 1 1.060 0.020 . 1 . . . A 393 ALA HB1 . 25560 1 397 . 1 1 37 37 ALA HB2 H 1 1.060 0.020 . 1 . . . A 393 ALA HB2 . 25560 1 398 . 1 1 37 37 ALA HB3 H 1 1.060 0.020 . 1 . . . A 393 ALA HB3 . 25560 1 399 . 1 1 37 37 ALA C C 13 175.936 0.10 . 1 . . . A 393 ALA C . 25560 1 400 . 1 1 37 37 ALA CA C 13 52.993 0.10 . 1 . . . A 393 ALA CA . 25560 1 401 . 1 1 37 37 ALA CB C 13 21.700 0.10 . 1 . . . A 393 ALA CB . 25560 1 402 . 1 1 37 37 ALA N N 15 129.822 0.10 . 1 . . . A 393 ALA N . 25560 1 403 . 1 1 38 38 SER H H 1 6.763 0.020 . 1 . . . A 394 SER H . 25560 1 404 . 1 1 38 38 SER HA H 1 4.256 0.020 . 1 . . . A 394 SER HA . 25560 1 405 . 1 1 38 38 SER HB2 H 1 3.763 0.020 . 1 . . . A 394 SER HB2 . 25560 1 406 . 1 1 38 38 SER HB3 H 1 3.763 0.020 . 1 . . . A 394 SER HB3 . 25560 1 407 . 1 1 38 38 SER C C 13 170.972 0.10 . 1 . . . A 394 SER C . 25560 1 408 . 1 1 38 38 SER CA C 13 58.531 0.10 . 1 . . . A 394 SER CA . 25560 1 409 . 1 1 38 38 SER CB C 13 64.801 0.10 . 1 . . . A 394 SER CB . 25560 1 410 . 1 1 38 38 SER N N 15 108.258 0.10 . 1 . . . A 394 SER N . 25560 1 411 . 1 1 39 39 GLN H H 1 8.740 0.020 . 1 . . . A 395 GLN H . 25560 1 412 . 1 1 39 39 GLN HA H 1 4.644 0.020 . 1 . . . A 395 GLN HA . 25560 1 413 . 1 1 39 39 GLN HB2 H 1 2.034 0.020 . 2 . . . A 395 GLN HB2 . 25560 1 414 . 1 1 39 39 GLN HB3 H 1 1.906 0.020 . 2 . . . A 395 GLN HB3 . 25560 1 415 . 1 1 39 39 GLN HG2 H 1 2.198 0.020 . 1 . . . A 395 GLN HG2 . 25560 1 416 . 1 1 39 39 GLN HG3 H 1 2.198 0.020 . 1 . . . A 395 GLN HG3 . 25560 1 417 . 1 1 39 39 GLN HE21 H 1 7.807 0.020 . 2 . . . A 395 GLN HE21 . 25560 1 418 . 1 1 39 39 GLN HE22 H 1 6.702 0.020 . 2 . . . A 395 GLN HE22 . 25560 1 419 . 1 1 39 39 GLN CA C 13 55.139 0.10 . 1 . . . A 395 GLN CA . 25560 1 420 . 1 1 39 39 GLN CB C 13 31.832 0.10 . 1 . . . A 395 GLN CB . 25560 1 421 . 1 1 39 39 GLN CG C 13 36.040 0.10 . 1 . . . A 395 GLN CG . 25560 1 422 . 1 1 39 39 GLN N N 15 121.032 0.10 . 1 . . . A 395 GLN N . 25560 1 423 . 1 1 39 39 GLN NE2 N 15 112.525 0.10 . 1 . . . A 395 GLN NE2 . 25560 1 424 . 1 1 40 40 GLU H H 1 8.831 0.020 . 1 . . . A 396 GLU H . 25560 1 425 . 1 1 40 40 GLU HA H 1 4.422 0.020 . 1 . . . A 396 GLU HA . 25560 1 426 . 1 1 40 40 GLU HB2 H 1 2.654 0.020 . 2 . . . A 396 GLU HB2 . 25560 1 427 . 1 1 40 40 GLU HB3 H 1 2.433 0.020 . 2 . . . A 396 GLU HB3 . 25560 1 428 . 1 1 40 40 GLU HG2 H 1 2.178 0.020 . 2 . . . A 396 GLU HG2 . 25560 1 429 . 1 1 40 40 GLU HG3 H 1 2.231 0.020 . 2 . . . A 396 GLU HG3 . 25560 1 430 . 1 1 40 40 GLU CA C 13 57.405 0.10 . 1 . . . A 396 GLU CA . 25560 1 431 . 1 1 40 40 GLU CB C 13 32.480 0.10 . 1 . . . A 396 GLU CB . 25560 1 432 . 1 1 40 40 GLU CG C 13 33.451 0.10 . 1 . . . A 396 GLU CG . 25560 1 433 . 1 1 40 40 GLU N N 15 127.885 0.10 . 1 . . . A 396 GLU N . 25560 1 434 . 1 1 41 41 GLY H H 1 8.894 0.020 . 1 . . . A 397 GLY H . 25560 1 435 . 1 1 41 41 GLY HA2 H 1 3.763 0.052 . 2 . . . A 397 GLY HA2 . 25560 1 436 . 1 1 41 41 GLY HA3 H 1 4.069 0.086 . 2 . . . A 397 GLY HA3 . 25560 1 437 . 1 1 41 41 GLY C C 13 174.332 0.10 . 1 . . . A 397 GLY C . 25560 1 438 . 1 1 41 41 GLY CA C 13 48.017 1.220 . 1 . . . A 397 GLY CA . 25560 1 439 . 1 1 41 41 GLY N N 15 121.260 0.10 . 1 . . . A 397 GLY N . 25560 1 440 . 1 1 42 42 ASN H H 1 8.904 0.020 . 1 . . . A 398 ASN H . 25560 1 441 . 1 1 42 42 ASN HA H 1 4.915 0.002 . 1 . . . A 398 ASN HA . 25560 1 442 . 1 1 42 42 ASN HB2 H 1 3.338 0.030 . 1 . . . A 398 ASN HB2 . 25560 1 443 . 1 1 42 42 ASN HB3 H 1 3.338 0.030 . 1 . . . A 398 ASN HB3 . 25560 1 444 . 1 1 42 42 ASN HD21 H 1 7.042 0.020 . 2 . . . A 398 ASN HD21 . 25560 1 445 . 1 1 42 42 ASN HD22 H 1 7.500 0.020 . 2 . . . A 398 ASN HD22 . 25560 1 446 . 1 1 42 42 ASN C C 13 172.835 0.10 . 1 . . . A 398 ASN C . 25560 1 447 . 1 1 42 42 ASN CA C 13 53.176 0.10 . 1 . . . A 398 ASN CA . 25560 1 448 . 1 1 42 42 ASN CB C 13 38.306 0.10 . 1 . . . A 398 ASN CB . 25560 1 449 . 1 1 42 42 ASN N N 15 127.206 0.10 . 1 . . . A 398 ASN N . 25560 1 450 . 1 1 42 42 ASN ND2 N 15 112.360 0.002 . 1 . . . A 398 ASN ND2 . 25560 1 451 . 1 1 43 43 VAL H H 1 7.948 0.020 . 1 . . . A 399 VAL H . 25560 1 452 . 1 1 43 43 VAL HA H 1 4.924 0.020 . 1 . . . A 399 VAL HA . 25560 1 453 . 1 1 43 43 VAL HB H 1 2.327 0.020 . 1 . . . A 399 VAL HB . 25560 1 454 . 1 1 43 43 VAL HG11 H 1 0.817 0.004 . 2 . . . A 399 VAL QG1 . 25560 1 455 . 1 1 43 43 VAL HG12 H 1 0.817 0.004 . 2 . . . A 399 VAL QG1 . 25560 1 456 . 1 1 43 43 VAL HG13 H 1 0.817 0.004 . 2 . . . A 399 VAL QG1 . 25560 1 457 . 1 1 43 43 VAL HG21 H 1 1.036 0.020 . 2 . . . A 399 VAL QG2 . 25560 1 458 . 1 1 43 43 VAL HG22 H 1 1.036 0.020 . 2 . . . A 399 VAL QG2 . 25560 1 459 . 1 1 43 43 VAL HG23 H 1 1.036 0.020 . 2 . . . A 399 VAL QG2 . 25560 1 460 . 1 1 43 43 VAL C C 13 175.691 0.10 . 1 . . . A 399 VAL C . 25560 1 461 . 1 1 43 43 VAL CA C 13 62.260 0.10 . 1 . . . A 399 VAL CA . 25560 1 462 . 1 1 43 43 VAL CB C 13 33.383 0.10 . 1 . . . A 399 VAL CB . 25560 1 463 . 1 1 43 43 VAL CG1 C 13 22.145 0.10 . 1 . . . A 399 VAL CG1 . 25560 1 464 . 1 1 43 43 VAL CG2 C 13 22.155 0.089 . 1 . . . A 399 VAL CG2 . 25560 1 465 . 1 1 43 43 VAL N N 15 118.765 0.10 . 1 . . . A 399 VAL N . 25560 1 466 . 1 1 44 44 LEU H H 1 9.860 0.020 . 1 . . . A 400 LEU H . 25560 1 467 . 1 1 44 44 LEU HA H 1 5.022 0.020 . 1 . . . A 400 LEU HA . 25560 1 468 . 1 1 44 44 LEU HB2 H 1 2.000 0.020 . 2 . . . A 400 LEU HB2 . 25560 1 469 . 1 1 44 44 LEU HB3 H 1 1.627 0.005 . 2 . . . A 400 LEU HB3 . 25560 1 470 . 1 1 44 44 LEU HG H 1 1.656 0.020 . 1 . . . A 400 LEU HG . 25560 1 471 . 1 1 44 44 LEU HD11 H 1 0.755 0.020 . 2 . . . A 400 LEU QD1 . 25560 1 472 . 1 1 44 44 LEU HD12 H 1 0.755 0.020 . 2 . . . A 400 LEU QD1 . 25560 1 473 . 1 1 44 44 LEU HD13 H 1 0.755 0.020 . 2 . . . A 400 LEU QD1 . 25560 1 474 . 1 1 44 44 LEU HD21 H 1 0.477 0.020 . 2 . . . A 400 LEU QD2 . 25560 1 475 . 1 1 44 44 LEU HD22 H 1 0.477 0.020 . 2 . . . A 400 LEU QD2 . 25560 1 476 . 1 1 44 44 LEU HD23 H 1 0.477 0.020 . 2 . . . A 400 LEU QD2 . 25560 1 477 . 1 1 44 44 LEU C C 13 174.866 0.10 . 1 . . . A 400 LEU C . 25560 1 478 . 1 1 44 44 LEU CA C 13 55.301 0.10 . 1 . . . A 400 LEU CA . 25560 1 479 . 1 1 44 44 LEU CB C 13 45.099 0.002 . 1 . . . A 400 LEU CB . 25560 1 480 . 1 1 44 44 LEU CG C 13 30.214 0.10 . 1 . . . A 400 LEU CG . 25560 1 481 . 1 1 44 44 LEU CD1 C 13 25.035 0.10 . 1 . . . A 400 LEU CD1 . 25560 1 482 . 1 1 44 44 LEU CD2 C 13 26.006 0.10 . 1 . . . A 400 LEU CD2 . 25560 1 483 . 1 1 44 44 LEU N N 15 129.723 0.10 . 1 . . . A 400 LEU N . 25560 1 484 . 1 1 45 45 LYS H H 1 9.205 0.020 . 1 . . . A 401 LYS H . 25560 1 485 . 1 1 45 45 LYS HA H 1 4.929 0.020 . 1 . . . A 401 LYS HA . 25560 1 486 . 1 1 45 45 LYS HB2 H 1 1.829 0.020 . 2 . . . A 401 LYS HB2 . 25560 1 487 . 1 1 45 45 LYS HB3 H 1 1.700 0.020 . 2 . . . A 401 LYS HB3 . 25560 1 488 . 1 1 45 45 LYS HG2 H 1 1.254 0.020 . 2 . . . A 401 LYS HG2 . 25560 1 489 . 1 1 45 45 LYS HG3 H 1 1.361 0.020 . 2 . . . A 401 LYS HG3 . 25560 1 490 . 1 1 45 45 LYS HD2 H 1 1.577 0.020 . 1 . . . A 401 LYS HD2 . 25560 1 491 . 1 1 45 45 LYS HD3 H 1 1.577 0.020 . 1 . . . A 401 LYS HD3 . 25560 1 492 . 1 1 45 45 LYS HE2 H 1 2.964 0.020 . 2 . . . A 401 LYS HE2 . 25560 1 493 . 1 1 45 45 LYS HE3 H 1 2.820 0.020 . 2 . . . A 401 LYS HE3 . 25560 1 494 . 1 1 45 45 LYS C C 13 174.790 0.10 . 1 . . . A 401 LYS C . 25560 1 495 . 1 1 45 45 LYS CA C 13 56.670 0.10 . 1 . . . A 401 LYS CA . 25560 1 496 . 1 1 45 45 LYS CB C 13 33.451 0.10 . 1 . . . A 401 LYS CB . 25560 1 497 . 1 1 45 45 LYS CG C 13 26.329 0.10 . 1 . . . A 401 LYS CG . 25560 1 498 . 1 1 45 45 LYS CD C 13 29.566 0.10 . 1 . . . A 401 LYS CD . 25560 1 499 . 1 1 45 45 LYS CE C 13 42.514 0.10 . 1 . . . A 401 LYS CE . 25560 1 500 . 1 1 45 45 LYS N N 15 122.753 0.10 . 1 . . . A 401 LYS N . 25560 1 501 . 1 1 46 46 TYR H H 1 9.376 0.020 . 1 . . . A 402 TYR H . 25560 1 502 . 1 1 46 46 TYR HA H 1 4.852 0.020 . 1 . . . A 402 TYR HA . 25560 1 503 . 1 1 46 46 TYR HB2 H 1 3.167 0.020 . 2 . . . A 402 TYR HB2 . 25560 1 504 . 1 1 46 46 TYR HB3 H 1 2.115 0.020 . 2 . . . A 402 TYR HB3 . 25560 1 505 . 1 1 46 46 TYR HD1 H 1 7.077 0.020 . 1 . . . A 402 TYR HD1 . 25560 1 506 . 1 1 46 46 TYR HD2 H 1 7.077 0.020 . 1 . . . A 402 TYR HD2 . 25560 1 507 . 1 1 46 46 TYR HE1 H 1 6.607 0.020 . 1 . . . A 402 TYR HE1 . 25560 1 508 . 1 1 46 46 TYR HE2 H 1 6.607 0.020 . 1 . . . A 402 TYR HE2 . 25560 1 509 . 1 1 46 46 TYR C C 13 175.264 0.10 . 1 . . . A 402 TYR C . 25560 1 510 . 1 1 46 46 TYR CA C 13 56.439 0.10 . 1 . . . A 402 TYR CA . 25560 1 511 . 1 1 46 46 TYR CB C 13 38.954 0.10 . 1 . . . A 402 TYR CB . 25560 1 512 . 1 1 46 46 TYR CD1 C 13 134.121 0.10 . 1 . . . A 402 TYR CD1 . 25560 1 513 . 1 1 46 46 TYR CE1 C 13 118.325 0.10 . 1 . . . A 402 TYR CE1 . 25560 1 514 . 1 1 46 46 TYR N N 15 124.527 0.10 . 1 . . . A 402 TYR N . 25560 1 515 . 1 1 47 47 GLU H H 1 8.907 0.020 . 1 . . . A 403 GLU H . 25560 1 516 . 1 1 47 47 GLU HA H 1 4.969 0.020 . 1 . . . A 403 GLU HA . 25560 1 517 . 1 1 47 47 GLU HB2 H 1 1.813 0.020 . 2 . . . A 403 GLU HB2 . 25560 1 518 . 1 1 47 47 GLU HB3 H 1 2.089 0.020 . 2 . . . A 403 GLU HB3 . 25560 1 519 . 1 1 47 47 GLU HG2 H 1 2.156 0.020 . 2 . . . A 403 GLU HG2 . 25560 1 520 . 1 1 47 47 GLU HG3 H 1 1.984 0.020 . 2 . . . A 403 GLU HG3 . 25560 1 521 . 1 1 47 47 GLU C C 13 175.981 0.10 . 1 . . . A 403 GLU C . 25560 1 522 . 1 1 47 47 GLU CA C 13 54.957 0.10 . 1 . . . A 403 GLU CA . 25560 1 523 . 1 1 47 47 GLU CB C 13 35.114 0.10 . 1 . . . A 403 GLU CB . 25560 1 524 . 1 1 47 47 GLU CG C 13 36.364 0.10 . 1 . . . A 403 GLU CG . 25560 1 525 . 1 1 47 47 GLU N N 15 120.462 0.10 . 1 . . . A 403 GLU N . 25560 1 526 . 1 1 48 48 ASN H H 1 9.778 0.020 . 1 . . . A 404 ASN H . 25560 1 527 . 1 1 48 48 ASN HA H 1 4.048 0.020 . 1 . . . A 404 ASN HA . 25560 1 528 . 1 1 48 48 ASN HB2 H 1 2.902 0.020 . 2 . . . A 404 ASN HB2 . 25560 1 529 . 1 1 48 48 ASN HB3 H 1 2.970 0.020 . 2 . . . A 404 ASN HB3 . 25560 1 530 . 1 1 48 48 ASN HD21 H 1 7.504 0.020 . 2 . . . A 404 ASN HD21 . 25560 1 531 . 1 1 48 48 ASN HD22 H 1 6.844 0.020 . 2 . . . A 404 ASN HD22 . 25560 1 532 . 1 1 48 48 ASN C C 13 175.416 0.10 . 1 . . . A 404 ASN C . 25560 1 533 . 1 1 48 48 ASN CA C 13 55.073 0.10 . 1 . . . A 404 ASN CA . 25560 1 534 . 1 1 48 48 ASN CB C 13 36.965 0.10 . 1 . . . A 404 ASN CB . 25560 1 535 . 1 1 48 48 ASN N N 15 116.295 0.10 . 1 . . . A 404 ASN N . 25560 1 536 . 1 1 48 48 ASN ND2 N 15 113.972 0.001 . 1 . . . A 404 ASN ND2 . 25560 1 537 . 1 1 49 49 GLY H H 1 8.682 0.020 . 1 . . . A 405 GLY H . 25560 1 538 . 1 1 49 49 GLY HA2 H 1 3.760 0.020 . 2 . . . A 405 GLY HA2 . 25560 1 539 . 1 1 49 49 GLY HA3 H 1 3.284 0.020 . 2 . . . A 405 GLY HA3 . 25560 1 540 . 1 1 49 49 GLY C C 13 172.713 0.10 . 1 . . . A 405 GLY C . 25560 1 541 . 1 1 49 49 GLY CA C 13 44.107 0.10 . 1 . . . A 405 GLY CA . 25560 1 542 . 1 1 49 49 GLY N N 15 104.077 0.10 . 1 . . . A 405 GLY N . 25560 1 543 . 1 1 50 50 GLN H H 1 8.320 0.020 . 1 . . . A 406 GLN H . 25560 1 544 . 1 1 50 50 GLN HA H 1 4.373 0.020 . 1 . . . A 406 GLN HA . 25560 1 545 . 1 1 50 50 GLN HB2 H 1 2.312 0.020 . 2 . . . A 406 GLN HB2 . 25560 1 546 . 1 1 50 50 GLN HB3 H 1 2.078 0.020 . 2 . . . A 406 GLN HB3 . 25560 1 547 . 1 1 50 50 GLN HG2 H 1 2.612 0.002 . 2 . . . A 406 GLN HG2 . 25560 1 548 . 1 1 50 50 GLN HG3 H 1 2.691 0.001 . 2 . . . A 406 GLN HG3 . 25560 1 549 . 1 1 50 50 GLN HE21 H 1 7.044 0.020 . 2 . . . A 406 GLN HE21 . 25560 1 550 . 1 1 50 50 GLN HE22 H 1 7.765 0.020 . 2 . . . A 406 GLN HE22 . 25560 1 551 . 1 1 50 50 GLN C C 13 178.227 0.10 . 1 . . . A 406 GLN C . 25560 1 552 . 1 1 50 50 GLN CA C 13 57.489 0.10 . 1 . . . A 406 GLN CA . 25560 1 553 . 1 1 50 50 GLN CB C 13 29.890 0.10 . 1 . . . A 406 GLN CB . 25560 1 554 . 1 1 50 50 GLN CG C 13 35.069 0.10 . 1 . . . A 406 GLN CG . 25560 1 555 . 1 1 50 50 GLN N N 15 117.883 0.10 . 1 . . . A 406 GLN N . 25560 1 556 . 1 1 50 50 GLN NE2 N 15 112.725 0.009 . 1 . . . A 406 GLN NE2 . 25560 1 557 . 1 1 51 51 SER H H 1 8.885 0.020 . 1 . . . A 407 SER H . 25560 1 558 . 1 1 51 51 SER HA H 1 4.307 0.001 . 1 . . . A 407 SER HA . 25560 1 559 . 1 1 51 51 SER HB2 H 1 3.901 0.003 . 1 . . . A 407 SER HB2 . 25560 1 560 . 1 1 51 51 SER HB3 H 1 3.901 0.003 . 1 . . . A 407 SER HB3 . 25560 1 561 . 1 1 51 51 SER C C 13 174.775 0.10 . 1 . . . A 407 SER C . 25560 1 562 . 1 1 51 51 SER CA C 13 60.965 0.10 . 1 . . . A 407 SER CA . 25560 1 563 . 1 1 51 51 SER CB C 13 63.555 0.10 . 1 . . . A 407 SER CB . 25560 1 564 . 1 1 51 51 SER N N 15 121.774 0.10 . 1 . . . A 407 SER N . 25560 1 565 . 1 1 52 52 CYS H H 1 8.503 0.020 . 1 . . . A 408 CYS H . 25560 1 566 . 1 1 52 52 CYS HA H 1 4.852 0.020 . 1 . . . A 408 CYS HA . 25560 1 567 . 1 1 52 52 CYS HB2 H 1 3.400 0.020 . 2 . . . A 408 CYS HB2 . 25560 1 568 . 1 1 52 52 CYS HB3 H 1 3.274 0.001 . 2 . . . A 408 CYS HB3 . 25560 1 569 . 1 1 52 52 CYS C C 13 178.776 0.10 . 1 . . . A 408 CYS C . 25560 1 570 . 1 1 52 52 CYS CA C 13 55.139 0.10 . 1 . . . A 408 CYS CA . 25560 1 571 . 1 1 52 52 CYS CB C 13 44.133 0.10 . 1 . . . A 408 CYS CB . 25560 1 572 . 1 1 52 52 CYS N N 15 122.264 0.10 . 1 . . . A 408 CYS N . 25560 1 573 . 1 1 53 53 ALA H H 1 7.681 0.020 . 1 . . . A 409 ALA H . 25560 1 574 . 1 1 53 53 ALA HA H 1 4.225 0.020 . 1 . . . A 409 ALA HA . 25560 1 575 . 1 1 53 53 ALA HB1 H 1 1.174 0.020 . 1 . . . A 409 ALA HB1 . 25560 1 576 . 1 1 53 53 ALA HB2 H 1 1.174 0.020 . 1 . . . A 409 ALA HB2 . 25560 1 577 . 1 1 53 53 ALA HB3 H 1 1.174 0.020 . 1 . . . A 409 ALA HB3 . 25560 1 578 . 1 1 53 53 ALA CA C 13 52.869 0.10 . 1 . . . A 409 ALA CA . 25560 1 579 . 1 1 53 53 ALA CB C 13 60.310 0.10 . 1 . . . A 409 ALA CB . 25560 1 580 . 1 1 53 53 ALA N N 15 115.865 0.10 . 1 . . . A 409 ALA N . 25560 1 581 . 1 1 54 54 ASN H H 1 8.393 0.020 . 1 . . . A 410 ASN H . 25560 1 582 . 1 1 54 54 ASN HA H 1 4.683 0.020 . 1 . . . A 410 ASN HA . 25560 1 583 . 1 1 54 54 ASN HB2 H 1 2.730 0.020 . 2 . . . A 410 ASN HB2 . 25560 1 584 . 1 1 54 54 ASN HB3 H 1 3.032 0.020 . 2 . . . A 410 ASN HB3 . 25560 1 585 . 1 1 54 54 ASN HD21 H 1 7.676 0.020 . 2 . . . A 410 ASN HD21 . 25560 1 586 . 1 1 54 54 ASN HD22 H 1 6.937 0.020 . 2 . . . A 410 ASN HD22 . 25560 1 587 . 1 1 54 54 ASN C C 13 174.668 0.10 . 1 . . . A 410 ASN C . 25560 1 588 . 1 1 54 54 ASN CA C 13 53.516 0.10 . 1 . . . A 410 ASN CA . 25560 1 589 . 1 1 54 54 ASN CB C 13 38.955 0.10 . 1 . . . A 410 ASN CB . 25560 1 590 . 1 1 54 54 ASN N N 15 115.351 0.10 . 1 . . . A 410 ASN N . 25560 1 591 . 1 1 54 54 ASN ND2 N 15 113.553 0.003 . 1 . . . A 410 ASN ND2 . 25560 1 592 . 1 1 55 55 GLY H H 1 7.610 0.020 . 1 . . . A 411 GLY H . 25560 1 593 . 1 1 55 55 GLY HA2 H 1 4.227 0.020 . 2 . . . A 411 GLY HA2 . 25560 1 594 . 1 1 55 55 GLY HA3 H 1 4.034 0.020 . 2 . . . A 411 GLY HA3 . 25560 1 595 . 1 1 55 55 GLY CA C 13 45.750 0.10 . 1 . . . A 411 GLY CA . 25560 1 596 . 1 1 55 55 GLY N N 15 107.817 0.10 . 1 . . . A 411 GLY N . 25560 1 597 . 1 1 56 56 PRO HA H 1 4.530 0.020 . 1 . . . A 412 PRO HA . 25560 1 598 . 1 1 56 56 PRO HB2 H 1 2.250 0.020 . 2 . . . A 412 PRO HB2 . 25560 1 599 . 1 1 56 56 PRO HB3 H 1 1.932 0.001 . 2 . . . A 412 PRO HB3 . 25560 1 600 . 1 1 56 56 PRO HG2 H 1 1.822 0.001 . 2 . . . A 412 PRO HG2 . 25560 1 601 . 1 1 56 56 PRO HG3 H 1 2.060 0.020 . 2 . . . A 412 PRO HG3 . 25560 1 602 . 1 1 56 56 PRO HD2 H 1 3.517 0.020 . 1 . . . A 412 PRO HD2 . 25560 1 603 . 1 1 56 56 PRO HD3 H 1 3.517 0.020 . 1 . . . A 412 PRO HD3 . 25560 1 604 . 1 1 56 56 PRO C C 13 176.562 0.10 . 1 . . . A 412 PRO C . 25560 1 605 . 1 1 56 56 PRO CA C 13 63.546 0.10 . 1 . . . A 412 PRO CA . 25560 1 606 . 1 1 56 56 PRO CB C 13 32.803 0.10 . 1 . . . A 412 PRO CB . 25560 1 607 . 1 1 56 56 PRO CG C 13 26.977 0.10 . 1 . . . A 412 PRO CG . 25560 1 608 . 1 1 56 56 PRO CD C 13 49.960 0.10 . 1 . . . A 412 PRO CD . 25560 1 609 . 1 1 57 57 HIS H H 1 8.057 0.020 . 1 . . . A 413 HIS H . 25560 1 610 . 1 1 57 57 HIS HA H 1 4.373 0.020 . 1 . . . A 413 HIS HA . 25560 1 611 . 1 1 57 57 HIS HB2 H 1 3.118 0.020 . 2 . . . A 413 HIS HB2 . 25560 1 612 . 1 1 57 57 HIS HB3 H 1 3.401 0.020 . 2 . . . A 413 HIS HB3 . 25560 1 613 . 1 1 57 57 HIS HD2 H 1 7.313 0.002 . 1 . . . A 413 HIS HD2 . 25560 1 614 . 1 1 57 57 HIS HE1 H 1 8.230 0.020 . 1 . . . A 413 HIS HE1 . 25560 1 615 . 1 1 57 57 HIS C C 13 175.997 0.10 . 1 . . . A 413 HIS C . 25560 1 616 . 1 1 57 57 HIS CA C 13 57.398 0.10 . 1 . . . A 413 HIS CA . 25560 1 617 . 1 1 57 57 HIS CB C 13 30.687 0.10 . 1 . . . A 413 HIS CB . 25560 1 618 . 1 1 57 57 HIS CD2 C 13 122.727 0.10 . 1 . . . A 413 HIS CD2 . 25560 1 619 . 1 1 57 57 HIS CE1 C 13 137.951 0.10 . 1 . . . A 413 HIS CE1 . 25560 1 620 . 1 1 57 57 HIS N N 15 114.518 0.10 . 1 . . . A 413 HIS N . 25560 1 621 . 1 1 58 58 ARG H H 1 7.298 0.020 . 1 . . . A 414 ARG H . 25560 1 622 . 1 1 58 58 ARG HA H 1 5.053 0.020 . 1 . . . A 414 ARG HA . 25560 1 623 . 1 1 58 58 ARG HB2 H 1 1.639 0.020 . 2 . . . A 414 ARG HB2 . 25560 1 624 . 1 1 58 58 ARG HB3 H 1 2.233 0.020 . 2 . . . A 414 ARG HB3 . 25560 1 625 . 1 1 58 58 ARG HG2 H 1 2.116 0.020 . 2 . . . A 414 ARG HG2 . 25560 1 626 . 1 1 58 58 ARG HG3 H 1 1.633 0.020 . 2 . . . A 414 ARG HG3 . 25560 1 627 . 1 1 58 58 ARG HD2 H 1 3.104 0.020 . 1 . . . A 414 ARG HD2 . 25560 1 628 . 1 1 58 58 ARG HD3 H 1 3.104 0.020 . 1 . . . A 414 ARG HD3 . 25560 1 629 . 1 1 58 58 ARG C C 13 173.981 0.10 . 1 . . . A 414 ARG C . 25560 1 630 . 1 1 58 58 ARG CA C 13 56.751 0.10 . 1 . . . A 414 ARG CA . 25560 1 631 . 1 1 58 58 ARG CB C 13 33.451 0.10 . 1 . . . A 414 ARG CB . 25560 1 632 . 1 1 58 58 ARG CG C 13 32.156 0.10 . 1 . . . A 414 ARG CG . 25560 1 633 . 1 1 58 58 ARG CD C 13 45.104 0.10 . 1 . . . A 414 ARG CD . 25560 1 634 . 1 1 58 58 ARG N N 15 122.589 0.10 . 1 . . . A 414 ARG N . 25560 1 635 . 1 1 59 59 SER H H 1 8.343 0.020 . 1 . . . A 415 SER H . 25560 1 636 . 1 1 59 59 SER HA H 1 5.067 0.020 . 1 . . . A 415 SER HA . 25560 1 637 . 1 1 59 59 SER HB2 H 1 4.217 0.020 . 1 . . . A 415 SER HB2 . 25560 1 638 . 1 1 59 59 SER HB3 H 1 4.217 0.020 . 1 . . . A 415 SER HB3 . 25560 1 639 . 1 1 59 59 SER C C 13 173.522 0.10 . 1 . . . A 415 SER C . 25560 1 640 . 1 1 59 59 SER CA C 13 58.052 0.10 . 1 . . . A 415 SER CA . 25560 1 641 . 1 1 59 59 SER CB C 13 66.445 0.10 . 1 . . . A 415 SER CB . 25560 1 642 . 1 1 59 59 SER N N 15 111.423 0.10 . 1 . . . A 415 SER N . 25560 1 643 . 1 1 60 60 ALA H H 1 8.892 0.020 . 1 . . . A 416 ALA H . 25560 1 644 . 1 1 60 60 ALA HA H 1 5.700 0.020 . 1 . . . A 416 ALA HA . 25560 1 645 . 1 1 60 60 ALA HB1 H 1 1.003 0.020 . 1 . . . A 416 ALA HB1 . 25560 1 646 . 1 1 60 60 ALA HB2 H 1 1.003 0.020 . 1 . . . A 416 ALA HB2 . 25560 1 647 . 1 1 60 60 ALA HB3 H 1 1.003 0.020 . 1 . . . A 416 ALA HB3 . 25560 1 648 . 1 1 60 60 ALA CA C 13 50.931 0.10 . 1 . . . A 416 ALA CA . 25560 1 649 . 1 1 60 60 ALA CB C 13 21.821 0.10 . 1 . . . A 416 ALA CB . 25560 1 650 . 1 1 60 60 ALA N N 15 118.915 0.10 . 1 . . . A 416 ALA N . 25560 1 651 . 1 1 61 61 ILE H H 1 9.075 0.020 . 1 . . . A 417 ILE H . 25560 1 652 . 1 1 61 61 ILE HA H 1 4.358 0.020 . 1 . . . A 417 ILE HA . 25560 1 653 . 1 1 61 61 ILE HB H 1 1.954 0.003 . 1 . . . A 417 ILE HB . 25560 1 654 . 1 1 61 61 ILE HG12 H 1 1.309 0.020 . 2 . . . A 417 ILE HG12 . 25560 1 655 . 1 1 61 61 ILE HG13 H 1 1.058 0.005 . 2 . . . A 417 ILE HG13 . 25560 1 656 . 1 1 61 61 ILE HG21 H 1 0.842 0.001 . 1 . . . A 417 ILE QG2 . 25560 1 657 . 1 1 61 61 ILE HG22 H 1 0.842 0.001 . 1 . . . A 417 ILE QG2 . 25560 1 658 . 1 1 61 61 ILE HG23 H 1 0.842 0.001 . 1 . . . A 417 ILE QG2 . 25560 1 659 . 1 1 61 61 ILE HD11 H 1 0.481 0.020 . 1 . . . A 417 ILE QD1 . 25560 1 660 . 1 1 61 61 ILE HD12 H 1 0.481 0.020 . 1 . . . A 417 ILE QD1 . 25560 1 661 . 1 1 61 61 ILE HD13 H 1 0.481 0.020 . 1 . . . A 417 ILE QD1 . 25560 1 662 . 1 1 61 61 ILE CA C 13 60.965 0.10 . 1 . . . A 417 ILE CA . 25560 1 663 . 1 1 61 61 ILE CB C 13 38.954 0.10 . 1 . . . A 417 ILE CB . 25560 1 664 . 1 1 61 61 ILE CG1 C 13 26.977 0.10 . 1 . . . A 417 ILE CG1 . 25560 1 665 . 1 1 61 61 ILE CG2 C 13 17.613 0.10 . 1 . . . A 417 ILE CG2 . 25560 1 666 . 1 1 61 61 ILE CD1 C 13 13.081 0.10 . 1 . . . A 417 ILE CD1 . 25560 1 667 . 1 1 61 61 ILE N N 15 124.237 0.10 . 1 . . . A 417 ILE N . 25560 1 668 . 1 1 62 62 VAL H H 1 9.685 0.020 . 1 . . . A 418 VAL H . 25560 1 669 . 1 1 62 62 VAL HA H 1 5.224 0.001 . 1 . . . A 418 VAL HA . 25560 1 670 . 1 1 62 62 VAL HB H 1 2.474 0.020 . 1 . . . A 418 VAL HB . 25560 1 671 . 1 1 62 62 VAL HG11 H 1 0.826 0.020 . 2 . . . A 418 VAL QG1 . 25560 1 672 . 1 1 62 62 VAL HG12 H 1 0.826 0.020 . 2 . . . A 418 VAL QG1 . 25560 1 673 . 1 1 62 62 VAL HG13 H 1 0.826 0.020 . 2 . . . A 418 VAL QG1 . 25560 1 674 . 1 1 62 62 VAL HG21 H 1 0.875 0.001 . 2 . . . A 418 VAL QG2 . 25560 1 675 . 1 1 62 62 VAL HG22 H 1 0.875 0.001 . 2 . . . A 418 VAL QG2 . 25560 1 676 . 1 1 62 62 VAL HG23 H 1 0.875 0.001 . 2 . . . A 418 VAL QG2 . 25560 1 677 . 1 1 62 62 VAL C C 13 175.050 0.10 . 1 . . . A 418 VAL C . 25560 1 678 . 1 1 62 62 VAL CA C 13 60.965 0.10 . 1 . . . A 418 VAL CA . 25560 1 679 . 1 1 62 62 VAL CB C 13 33.775 0.10 . 1 . . . A 418 VAL CB . 25560 1 680 . 1 1 62 62 VAL CG1 C 13 21.821 0.10 . 1 . . . A 418 VAL CG1 . 25560 1 681 . 1 1 62 62 VAL CG2 C 13 21.821 0.10 . 1 . . . A 418 VAL CG2 . 25560 1 682 . 1 1 62 62 VAL N N 15 131.353 0.10 . 1 . . . A 418 VAL N . 25560 1 683 . 1 1 63 63 THR H H 1 9.136 0.020 . 1 . . . A 419 THR H . 25560 1 684 . 1 1 63 63 THR HA H 1 4.999 0.020 . 1 . . . A 419 THR HA . 25560 1 685 . 1 1 63 63 THR HB H 1 4.079 0.003 . 1 . . . A 419 THR HB . 25560 1 686 . 1 1 63 63 THR HG21 H 1 1.180 0.020 . 1 . . . A 419 THR QG2 . 25560 1 687 . 1 1 63 63 THR HG22 H 1 1.180 0.020 . 1 . . . A 419 THR QG2 . 25560 1 688 . 1 1 63 63 THR HG23 H 1 1.180 0.020 . 1 . . . A 419 THR QG2 . 25560 1 689 . 1 1 63 63 THR C C 13 173.889 0.10 . 1 . . . A 419 THR C . 25560 1 690 . 1 1 63 63 THR CA C 13 62.260 0.10 . 1 . . . A 419 THR CA . 25560 1 691 . 1 1 63 63 THR CB C 13 70.005 0.10 . 1 . . . A 419 THR CB . 25560 1 692 . 1 1 63 63 THR CG2 C 13 18.908 0.10 . 1 . . . A 419 THR CG2 . 25560 1 693 . 1 1 63 63 THR N N 15 124.310 0.10 . 1 . . . A 419 THR N . 25560 1 694 . 1 1 64 64 VAL H H 1 8.724 0.020 . 1 . . . A 420 VAL H . 25560 1 695 . 1 1 64 64 VAL HA H 1 4.608 0.020 . 1 . . . A 420 VAL HA . 25560 1 696 . 1 1 64 64 VAL HB H 1 2.061 0.001 . 1 . . . A 420 VAL HB . 25560 1 697 . 1 1 64 64 VAL HG11 H 1 0.904 0.002 . 2 . . . A 420 VAL QG1 . 25560 1 698 . 1 1 64 64 VAL HG12 H 1 0.904 0.002 . 2 . . . A 420 VAL QG1 . 25560 1 699 . 1 1 64 64 VAL HG13 H 1 0.904 0.002 . 2 . . . A 420 VAL QG1 . 25560 1 700 . 1 1 64 64 VAL HG21 H 1 0.828 0.001 . 2 . . . A 420 VAL QG2 . 25560 1 701 . 1 1 64 64 VAL HG22 H 1 0.828 0.001 . 2 . . . A 420 VAL QG2 . 25560 1 702 . 1 1 64 64 VAL HG23 H 1 0.828 0.001 . 2 . . . A 420 VAL QG2 . 25560 1 703 . 1 1 64 64 VAL C C 13 174.836 0.10 . 1 . . . A 420 VAL C . 25560 1 704 . 1 1 64 64 VAL CA C 13 61.289 0.10 . 1 . . . A 420 VAL CA . 25560 1 705 . 1 1 64 64 VAL CB C 13 33.127 0.10 . 1 . . . A 420 VAL CB . 25560 1 706 . 1 1 64 64 VAL CG1 C 13 22.145 0.10 . 1 . . . A 420 VAL CG1 . 25560 1 707 . 1 1 64 64 VAL CG2 C 13 23.740 0.10 . 1 . . . A 420 VAL CG2 . 25560 1 708 . 1 1 64 64 VAL N N 15 126.219 0.10 . 1 . . . A 420 VAL N . 25560 1 709 . 1 1 65 65 GLU H H 1 8.671 0.020 . 1 . . . A 421 GLU H . 25560 1 710 . 1 1 65 65 GLU HA H 1 4.787 0.020 . 1 . . . A 421 GLU HA . 25560 1 711 . 1 1 65 65 GLU HB2 H 1 2.131 0.001 . 2 . . . A 421 GLU HB2 . 25560 1 712 . 1 1 65 65 GLU HB3 H 1 1.955 0.001 . 2 . . . A 421 GLU HB3 . 25560 1 713 . 1 1 65 65 GLU HG2 H 1 2.301 0.020 . 2 . . . A 421 GLU HG2 . 25560 1 714 . 1 1 65 65 GLU HG3 H 1 2.224 0.020 . 2 . . . A 421 GLU HG3 . 25560 1 715 . 1 1 65 65 GLU C C 13 175.157 0.10 . 1 . . . A 421 GLU C . 25560 1 716 . 1 1 65 65 GLU CA C 13 54.168 0.10 . 1 . . . A 421 GLU CA . 25560 1 717 . 1 1 65 65 GLU CB C 13 33.451 0.10 . 1 . . . A 421 GLU CB . 25560 1 718 . 1 1 65 65 GLU CG C 13 37.012 0.10 . 1 . . . A 421 GLU CG . 25560 1 719 . 1 1 65 65 GLU N N 15 125.264 0.10 . 1 . . . A 421 GLU N . 25560 1 720 . 1 1 66 66 CYS H H 1 8.848 0.020 . 1 . . . A 422 CYS H . 25560 1 721 . 1 1 66 66 CYS HA H 1 4.508 0.020 . 1 . . . A 422 CYS HA . 25560 1 722 . 1 1 66 66 CYS HB2 H 1 3.170 0.020 . 2 . . . A 422 CYS HB2 . 25560 1 723 . 1 1 66 66 CYS HB3 H 1 2.746 0.020 . 2 . . . A 422 CYS HB3 . 25560 1 724 . 1 1 66 66 CYS C C 13 174.637 0.10 . 1 . . . A 422 CYS C . 25560 1 725 . 1 1 66 66 CYS CA C 13 57.084 0.10 . 1 . . . A 422 CYS CA . 25560 1 726 . 1 1 66 66 CYS CB C 13 39.228 0.10 . 1 . . . A 422 CYS CB . 25560 1 727 . 1 1 66 66 CYS N N 15 119.445 0.10 . 1 . . . A 422 CYS N . 25560 1 728 . 1 1 67 67 GLY H H 1 7.206 0.020 . 1 . . . A 423 GLY H . 25560 1 729 . 1 1 67 67 GLY HA2 H 1 3.790 0.020 . 2 . . . A 423 GLY HA2 . 25560 1 730 . 1 1 67 67 GLY HA3 H 1 4.480 0.020 . 2 . . . A 423 GLY HA3 . 25560 1 731 . 1 1 67 67 GLY C C 13 171.797 0.10 . 1 . . . A 423 GLY C . 25560 1 732 . 1 1 67 67 GLY CA C 13 45.074 0.10 . 1 . . . A 423 GLY CA . 25560 1 733 . 1 1 67 67 GLY N N 15 114.615 0.10 . 1 . . . A 423 GLY N . 25560 1 734 . 1 1 68 68 VAL H H 1 8.382 0.020 . 1 . . . A 424 VAL H . 25560 1 735 . 1 1 68 68 VAL HA H 1 4.009 0.020 . 1 . . . A 424 VAL HA . 25560 1 736 . 1 1 68 68 VAL HB H 1 2.164 0.020 . 1 . . . A 424 VAL HB . 25560 1 737 . 1 1 68 68 VAL HG11 H 1 1.014 0.020 . 1 . . . A 424 VAL QG1 . 25560 1 738 . 1 1 68 68 VAL HG12 H 1 1.014 0.020 . 1 . . . A 424 VAL QG1 . 25560 1 739 . 1 1 68 68 VAL HG13 H 1 1.014 0.020 . 1 . . . A 424 VAL QG1 . 25560 1 740 . 1 1 68 68 VAL HG21 H 1 1.014 0.020 . 1 . . . A 424 VAL QG2 . 25560 1 741 . 1 1 68 68 VAL HG22 H 1 1.014 0.020 . 1 . . . A 424 VAL QG2 . 25560 1 742 . 1 1 68 68 VAL HG23 H 1 1.014 0.020 . 1 . . . A 424 VAL QG2 . 25560 1 743 . 1 1 68 68 VAL C C 13 175.829 0.10 . 1 . . . A 424 VAL C . 25560 1 744 . 1 1 68 68 VAL CA C 13 64.257 0.10 . 1 . . . A 424 VAL CA . 25560 1 745 . 1 1 68 68 VAL CB C 13 32.480 0.10 . 1 . . . A 424 VAL CB . 25560 1 746 . 1 1 68 68 VAL CG1 C 13 21.174 0.10 . 1 . . . A 424 VAL CG1 . 25560 1 747 . 1 1 68 68 VAL N N 15 115.240 0.10 . 1 . . . A 424 VAL N . 25560 1 748 . 1 1 69 69 GLU H H 1 7.573 0.020 . 1 . . . A 425 GLU H . 25560 1 749 . 1 1 69 69 GLU HA H 1 4.572 0.020 . 1 . . . A 425 GLU HA . 25560 1 750 . 1 1 69 69 GLU HB2 H 1 1.895 0.020 . 2 . . . A 425 GLU HB2 . 25560 1 751 . 1 1 69 69 GLU HB3 H 1 1.996 0.020 . 2 . . . A 425 GLU HB3 . 25560 1 752 . 1 1 69 69 GLU HG2 H 1 2.215 0.020 . 2 . . . A 425 GLU HG2 . 25560 1 753 . 1 1 69 69 GLU HG3 H 1 2.175 0.020 . 2 . . . A 425 GLU HG3 . 25560 1 754 . 1 1 69 69 GLU C C 13 175.264 0.10 . 1 . . . A 425 GLU C . 25560 1 755 . 1 1 69 69 GLU CA C 13 54.168 0.10 . 1 . . . A 425 GLU CA . 25560 1 756 . 1 1 69 69 GLU CB C 13 33.775 0.10 . 1 . . . A 425 GLU CB . 25560 1 757 . 1 1 69 69 GLU CG C 13 36.040 0.10 . 1 . . . A 425 GLU CG . 25560 1 758 . 1 1 69 69 GLU N N 15 116.289 0.10 . 1 . . . A 425 GLU N . 25560 1 759 . 1 1 70 70 ASN H H 1 8.885 0.020 . 1 . . . A 426 ASN H . 25560 1 760 . 1 1 70 70 ASN HA H 1 5.661 0.020 . 1 . . . A 426 ASN HA . 25560 1 761 . 1 1 70 70 ASN HB2 H 1 2.892 0.020 . 2 . . . A 426 ASN HB2 . 25560 1 762 . 1 1 70 70 ASN HB3 H 1 2.833 0.020 . 2 . . . A 426 ASN HB3 . 25560 1 763 . 1 1 70 70 ASN HD21 H 1 6.711 0.020 . 2 . . . A 426 ASN HD21 . 25560 1 764 . 1 1 70 70 ASN HD22 H 1 7.803 0.020 . 2 . . . A 426 ASN HD22 . 25560 1 765 . 1 1 70 70 ASN C C 13 176.165 0.10 . 1 . . . A 426 ASN C . 25560 1 766 . 1 1 70 70 ASN CA C 13 53.593 0.10 . 1 . . . A 426 ASN CA . 25560 1 767 . 1 1 70 70 ASN CB C 13 38.542 0.10 . 1 . . . A 426 ASN CB . 25560 1 768 . 1 1 70 70 ASN N N 15 121.630 0.10 . 1 . . . A 426 ASN N . 25560 1 769 . 1 1 70 70 ASN ND2 N 15 112.297 0.002 . 1 . . . A 426 ASN ND2 . 25560 1 770 . 1 1 71 71 GLU H H 1 8.892 0.020 . 1 . . . A 427 GLU H . 25560 1 771 . 1 1 71 71 GLU HA H 1 4.748 0.020 . 1 . . . A 427 GLU HA . 25560 1 772 . 1 1 71 71 GLU HB2 H 1 1.882 0.020 . 1 . . . A 427 GLU HB2 . 25560 1 773 . 1 1 71 71 GLU HB3 H 1 1.882 0.020 . 1 . . . A 427 GLU HB3 . 25560 1 774 . 1 1 71 71 GLU HG2 H 1 2.112 0.020 . 2 . . . A 427 GLU HG2 . 25560 1 775 . 1 1 71 71 GLU HG3 H 1 1.950 0.020 . 2 . . . A 427 GLU HG3 . 25560 1 776 . 1 1 71 71 GLU C C 13 175.706 0.10 . 1 . . . A 427 GLU C . 25560 1 777 . 1 1 71 71 GLU CA C 13 55.642 0.10 . 1 . . . A 427 GLU CA . 25560 1 778 . 1 1 71 71 GLU CB C 13 34.673 0.10 . 1 . . . A 427 GLU CB . 25560 1 779 . 1 1 71 71 GLU CG C 13 36.168 0.10 . 1 . . . A 427 GLU CG . 25560 1 780 . 1 1 71 71 GLU N N 15 123.287 0.10 . 1 . . . A 427 GLU N . 25560 1 781 . 1 1 72 72 ILE H H 1 9.057 0.020 . 1 . . . A 428 ILE H . 25560 1 782 . 1 1 72 72 ILE HA H 1 4.165 0.020 . 1 . . . A 428 ILE HA . 25560 1 783 . 1 1 72 72 ILE HB H 1 1.662 0.020 . 1 . . . A 428 ILE HB . 25560 1 784 . 1 1 72 72 ILE HG12 H 1 0.754 0.020 . 2 . . . A 428 ILE HG12 . 25560 1 785 . 1 1 72 72 ILE HG13 H 1 1.616 0.020 . 2 . . . A 428 ILE HG13 . 25560 1 786 . 1 1 72 72 ILE HG21 H 1 0.638 0.020 . 1 . . . A 428 ILE QG2 . 25560 1 787 . 1 1 72 72 ILE HG22 H 1 0.638 0.020 . 1 . . . A 428 ILE QG2 . 25560 1 788 . 1 1 72 72 ILE HG23 H 1 0.638 0.020 . 1 . . . A 428 ILE QG2 . 25560 1 789 . 1 1 72 72 ILE HD11 H 1 0.754 0.020 . 1 . . . A 428 ILE QD1 . 25560 1 790 . 1 1 72 72 ILE HD12 H 1 0.754 0.020 . 1 . . . A 428 ILE QD1 . 25560 1 791 . 1 1 72 72 ILE HD13 H 1 0.754 0.020 . 1 . . . A 428 ILE QD1 . 25560 1 792 . 1 1 72 72 ILE C C 13 174.698 0.10 . 1 . . . A 428 ILE C . 25560 1 793 . 1 1 72 72 ILE CA C 13 62.584 0.10 . 1 . . . A 428 ILE CA . 25560 1 794 . 1 1 72 72 ILE CB C 13 38.650 0.10 . 1 . . . A 428 ILE CB . 25560 1 795 . 1 1 72 72 ILE CG1 C 13 28.595 0.10 . 1 . . . A 428 ILE CG1 . 25560 1 796 . 1 1 72 72 ILE CG2 C 13 17.937 0.10 . 1 . . . A 428 ILE CG2 . 25560 1 797 . 1 1 72 72 ILE CD1 C 13 14.053 0.10 . 1 . . . A 428 ILE CD1 . 25560 1 798 . 1 1 72 72 ILE N N 15 125.867 0.10 . 1 . . . A 428 ILE N . 25560 1 799 . 1 1 73 73 VAL H H 1 9.266 0.020 . 1 . . . A 429 VAL H . 25560 1 800 . 1 1 73 73 VAL HA H 1 3.943 0.020 . 1 . . . A 429 VAL HA . 25560 1 801 . 1 1 73 73 VAL HB H 1 1.821 0.020 . 1 . . . A 429 VAL HB . 25560 1 802 . 1 1 73 73 VAL HG11 H 1 0.925 0.020 . 2 . . . A 429 VAL QG1 . 25560 1 803 . 1 1 73 73 VAL HG12 H 1 0.925 0.020 . 2 . . . A 429 VAL QG1 . 25560 1 804 . 1 1 73 73 VAL HG13 H 1 0.925 0.020 . 2 . . . A 429 VAL QG1 . 25560 1 805 . 1 1 73 73 VAL HG21 H 1 0.883 0.005 . 2 . . . A 429 VAL QG2 . 25560 1 806 . 1 1 73 73 VAL HG22 H 1 0.883 0.005 . 2 . . . A 429 VAL QG2 . 25560 1 807 . 1 1 73 73 VAL HG23 H 1 0.883 0.005 . 2 . . . A 429 VAL QG2 . 25560 1 808 . 1 1 73 73 VAL C C 13 176.134 0.10 . 1 . . . A 429 VAL C . 25560 1 809 . 1 1 73 73 VAL CA C 13 64.484 0.10 . 1 . . . A 429 VAL CA . 25560 1 810 . 1 1 73 73 VAL CB C 13 33.160 0.10 . 1 . . . A 429 VAL CB . 25560 1 811 . 1 1 73 73 VAL CG1 C 13 21.208 0.10 . 1 . . . A 429 VAL CG1 . 25560 1 812 . 1 1 73 73 VAL CG2 C 13 21.174 0.10 . 1 . . . A 429 VAL CG2 . 25560 1 813 . 1 1 73 73 VAL N N 15 128.256 0.10 . 1 . . . A 429 VAL N . 25560 1 814 . 1 1 74 74 SER H H 1 7.607 0.020 . 1 . . . A 430 SER H . 25560 1 815 . 1 1 74 74 SER HA H 1 4.593 0.003 . 1 . . . A 430 SER HA . 25560 1 816 . 1 1 74 74 SER HB2 H 1 3.824 0.001 . 1 . . . A 430 SER HB2 . 25560 1 817 . 1 1 74 74 SER HB3 H 1 3.824 0.001 . 1 . . . A 430 SER HB3 . 25560 1 818 . 1 1 74 74 SER C C 13 172.194 0.10 . 1 . . . A 430 SER C . 25560 1 819 . 1 1 74 74 SER CA C 13 57.728 0.10 . 1 . . . A 430 SER CA . 25560 1 820 . 1 1 74 74 SER CB C 13 65.150 0.10 . 1 . . . A 430 SER CB . 25560 1 821 . 1 1 74 74 SER N N 15 110.016 0.10 . 1 . . . A 430 SER N . 25560 1 822 . 1 1 75 75 VAL H H 1 8.317 0.020 . 1 . . . A 431 VAL H . 25560 1 823 . 1 1 75 75 VAL HA H 1 4.584 0.020 . 1 . . . A 431 VAL HA . 25560 1 824 . 1 1 75 75 VAL HB H 1 1.383 0.020 . 1 . . . A 431 VAL HB . 25560 1 825 . 1 1 75 75 VAL HG11 H 1 0.391 0.020 . 2 . . . A 431 VAL QG1 . 25560 1 826 . 1 1 75 75 VAL HG12 H 1 0.391 0.020 . 2 . . . A 431 VAL QG1 . 25560 1 827 . 1 1 75 75 VAL HG13 H 1 0.391 0.020 . 2 . . . A 431 VAL QG1 . 25560 1 828 . 1 1 75 75 VAL HG21 H 1 0.125 0.020 . 2 . . . A 431 VAL QG2 . 25560 1 829 . 1 1 75 75 VAL HG22 H 1 0.125 0.020 . 2 . . . A 431 VAL QG2 . 25560 1 830 . 1 1 75 75 VAL HG23 H 1 0.125 0.020 . 2 . . . A 431 VAL QG2 . 25560 1 831 . 1 1 75 75 VAL C C 13 174.065 0.10 . 1 . . . A 431 VAL C . 25560 1 832 . 1 1 75 75 VAL CA C 13 62.260 0.10 . 1 . . . A 431 VAL CA . 25560 1 833 . 1 1 75 75 VAL CB C 13 35.425 0.10 . 1 . . . A 431 VAL CB . 25560 1 834 . 1 1 75 75 VAL CG1 C 13 20.618 0.10 . 1 . . . A 431 VAL CG1 . 25560 1 835 . 1 1 75 75 VAL CG2 C 13 20.527 0.10 . 1 . . . A 431 VAL CG2 . 25560 1 836 . 1 1 75 75 VAL N N 15 120.091 0.10 . 1 . . . A 431 VAL N . 25560 1 837 . 1 1 76 76 LEU H H 1 8.919 0.020 . 1 . . . A 432 LEU H . 25560 1 838 . 1 1 76 76 LEU HA H 1 4.713 0.020 . 1 . . . A 432 LEU HA . 25560 1 839 . 1 1 76 76 LEU HB2 H 1 1.720 0.020 . 2 . . . A 432 LEU HB2 . 25560 1 840 . 1 1 76 76 LEU HB3 H 1 1.566 0.020 . 2 . . . A 432 LEU HB3 . 25560 1 841 . 1 1 76 76 LEU HG H 1 1.464 0.020 . 1 . . . A 432 LEU HG . 25560 1 842 . 1 1 76 76 LEU HD11 H 1 0.931 0.020 . 1 . . . A 432 LEU QD1 . 25560 1 843 . 1 1 76 76 LEU HD12 H 1 0.931 0.020 . 1 . . . A 432 LEU QD1 . 25560 1 844 . 1 1 76 76 LEU HD13 H 1 0.931 0.020 . 1 . . . A 432 LEU QD1 . 25560 1 845 . 1 1 76 76 LEU HD21 H 1 0.931 0.020 . 1 . . . A 432 LEU QD2 . 25560 1 846 . 1 1 76 76 LEU HD22 H 1 0.931 0.020 . 1 . . . A 432 LEU QD2 . 25560 1 847 . 1 1 76 76 LEU HD23 H 1 0.931 0.020 . 1 . . . A 432 LEU QD2 . 25560 1 848 . 1 1 76 76 LEU C C 13 174.943 0.10 . 1 . . . A 432 LEU C . 25560 1 849 . 1 1 76 76 LEU CA C 13 53.973 0.10 . 1 . . . A 432 LEU CA . 25560 1 850 . 1 1 76 76 LEU CB C 13 46.447 0.10 . 1 . . . A 432 LEU CB . 25560 1 851 . 1 1 76 76 LEU CG C 13 27.704 0.10 . 1 . . . A 432 LEU CG . 25560 1 852 . 1 1 76 76 LEU CD1 C 13 25.358 0.10 . 1 . . . A 432 LEU CD1 . 25560 1 853 . 1 1 76 76 LEU N N 15 129.080 0.10 . 1 . . . A 432 LEU N . 25560 1 854 . 1 1 77 77 GLU H H 1 8.766 0.020 . 1 . . . A 433 GLU H . 25560 1 855 . 1 1 77 77 GLU HA H 1 4.295 0.020 . 1 . . . A 433 GLU HA . 25560 1 856 . 1 1 77 77 GLU HB2 H 1 1.488 0.020 . 2 . . . A 433 GLU HB2 . 25560 1 857 . 1 1 77 77 GLU HB3 H 1 1.954 0.020 . 2 . . . A 433 GLU HB3 . 25560 1 858 . 1 1 77 77 GLU HG2 H 1 1.896 0.020 . 2 . . . A 433 GLU HG2 . 25560 1 859 . 1 1 77 77 GLU HG3 H 1 1.445 0.020 . 2 . . . A 433 GLU HG3 . 25560 1 860 . 1 1 77 77 GLU C C 13 175.172 0.10 . 1 . . . A 433 GLU C . 25560 1 861 . 1 1 77 77 GLU CA C 13 55.187 0.10 . 1 . . . A 433 GLU CA . 25560 1 862 . 1 1 77 77 GLU CB C 13 29.729 0.10 . 1 . . . A 433 GLU CB . 25560 1 863 . 1 1 77 77 GLU CG C 13 36.364 0.10 . 1 . . . A 433 GLU CG . 25560 1 864 . 1 1 77 77 GLU N N 15 127.939 0.10 . 1 . . . A 433 GLU N . 25560 1 865 . 1 1 78 78 ALA H H 1 8.279 0.020 . 1 . . . A 434 ALA H . 25560 1 866 . 1 1 78 78 ALA HA H 1 4.324 0.020 . 1 . . . A 434 ALA HA . 25560 1 867 . 1 1 78 78 ALA HB1 H 1 1.401 0.020 . 1 . . . A 434 ALA HB1 . 25560 1 868 . 1 1 78 78 ALA HB2 H 1 1.401 0.020 . 1 . . . A 434 ALA HB2 . 25560 1 869 . 1 1 78 78 ALA HB3 H 1 1.401 0.020 . 1 . . . A 434 ALA HB3 . 25560 1 870 . 1 1 78 78 ALA C C 13 177.646 0.10 . 1 . . . A 434 ALA C . 25560 1 871 . 1 1 78 78 ALA CA C 13 53.214 0.10 . 1 . . . A 434 ALA CA . 25560 1 872 . 1 1 78 78 ALA CB C 13 19.383 0.10 . 1 . . . A 434 ALA CB . 25560 1 873 . 1 1 78 78 ALA N N 15 131.855 0.10 . 1 . . . A 434 ALA N . 25560 1 874 . 1 1 79 79 GLN H H 1 8.253 0.020 . 1 . . . A 435 GLN H . 25560 1 875 . 1 1 79 79 GLN HA H 1 4.295 0.020 . 1 . . . A 435 GLN HA . 25560 1 876 . 1 1 79 79 GLN HB2 H 1 1.918 0.020 . 2 . . . A 435 GLN HB2 . 25560 1 877 . 1 1 79 79 GLN HB3 H 1 2.114 0.020 . 2 . . . A 435 GLN HB3 . 25560 1 878 . 1 1 79 79 GLN HG2 H 1 2.336 0.020 . 2 . . . A 435 GLN HG2 . 25560 1 879 . 1 1 79 79 GLN HG3 H 1 2.323 0.020 . 2 . . . A 435 GLN HG3 . 25560 1 880 . 1 1 79 79 GLN HE21 H 1 7.689 0.020 . 2 . . . A 435 GLN HE21 . 25560 1 881 . 1 1 79 79 GLN HE22 H 1 6.803 0.020 . 2 . . . A 435 GLN HE22 . 25560 1 882 . 1 1 79 79 GLN C C 13 175.019 0.10 . 1 . . . A 435 GLN C . 25560 1 883 . 1 1 79 79 GLN CA C 13 55.463 0.10 . 1 . . . A 435 GLN CA . 25560 1 884 . 1 1 79 79 GLN CB C 13 30.537 0.10 . 1 . . . A 435 GLN CB . 25560 1 885 . 1 1 79 79 GLN CG C 13 34.746 0.10 . 1 . . . A 435 GLN CG . 25560 1 886 . 1 1 79 79 GLN N N 15 116.818 0.10 . 1 . . . A 435 GLN N . 25560 1 887 . 1 1 79 79 GLN NE2 N 15 112.746 0.10 . 1 . . . A 435 GLN NE2 . 25560 1 888 . 1 1 80 80 LYS H H 1 8.586 0.020 . 1 . . . A 436 LYS H . 25560 1 889 . 1 1 80 80 LYS HA H 1 3.819 0.020 . 1 . . . A 436 LYS HA . 25560 1 890 . 1 1 80 80 LYS HB2 H 1 1.808 0.020 . 1 . . . A 436 LYS HB2 . 25560 1 891 . 1 1 80 80 LYS HB3 H 1 1.808 0.020 . 1 . . . A 436 LYS HB3 . 25560 1 892 . 1 1 80 80 LYS HG2 H 1 1.448 0.020 . 1 . . . A 436 LYS HG2 . 25560 1 893 . 1 1 80 80 LYS HG3 H 1 1.448 0.020 . 1 . . . A 436 LYS HG3 . 25560 1 894 . 1 1 80 80 LYS HD2 H 1 1.714 0.020 . 1 . . . A 436 LYS HD2 . 25560 1 895 . 1 1 80 80 LYS HD3 H 1 1.714 0.020 . 1 . . . A 436 LYS HD3 . 25560 1 896 . 1 1 80 80 LYS HE2 H 1 3.011 0.020 . 1 . . . A 436 LYS HE2 . 25560 1 897 . 1 1 80 80 LYS HE3 H 1 3.011 0.020 . 1 . . . A 436 LYS HE3 . 25560 1 898 . 1 1 80 80 LYS C C 13 176.882 0.10 . 1 . . . A 436 LYS C . 25560 1 899 . 1 1 80 80 LYS CA C 13 57.820 0.10 . 1 . . . A 436 LYS CA . 25560 1 900 . 1 1 80 80 LYS CB C 13 31.185 0.10 . 1 . . . A 436 LYS CB . 25560 1 901 . 1 1 80 80 LYS CG C 13 25.358 0.10 . 1 . . . A 436 LYS CG . 25560 1 902 . 1 1 80 80 LYS CD C 13 29.566 0.10 . 1 . . . A 436 LYS CD . 25560 1 903 . 1 1 80 80 LYS CE C 13 42.514 0.10 . 1 . . . A 436 LYS CE . 25560 1 904 . 1 1 80 80 LYS N N 15 118.595 0.10 . 1 . . . A 436 LYS N . 25560 1 905 . 1 1 81 81 CYS H H 1 9.602 0.020 . 1 . . . A 437 CYS H . 25560 1 906 . 1 1 81 81 CYS HA H 1 4.001 0.020 . 1 . . . A 437 CYS HA . 25560 1 907 . 1 1 81 81 CYS HB2 H 1 3.760 0.020 . 2 . . . A 437 CYS HB2 . 25560 1 908 . 1 1 81 81 CYS HB3 H 1 3.433 0.020 . 2 . . . A 437 CYS HB3 . 25560 1 909 . 1 1 81 81 CYS C C 13 171.491 0.10 . 1 . . . A 437 CYS C . 25560 1 910 . 1 1 81 81 CYS CA C 13 57.722 0.10 . 1 . . . A 437 CYS CA . 25560 1 911 . 1 1 81 81 CYS CB C 13 42.191 0.10 . 1 . . . A 437 CYS CB . 25560 1 912 . 1 1 81 81 CYS N N 15 114.157 0.10 . 1 . . . A 437 CYS N . 25560 1 913 . 1 1 82 82 GLU H H 1 7.661 0.020 . 1 . . . A 438 GLU H . 25560 1 914 . 1 1 82 82 GLU HA H 1 4.861 0.020 . 1 . . . A 438 GLU HA . 25560 1 915 . 1 1 82 82 GLU HB2 H 1 1.763 0.020 . 2 . . . A 438 GLU HB2 . 25560 1 916 . 1 1 82 82 GLU HB3 H 1 1.853 0.020 . 2 . . . A 438 GLU HB3 . 25560 1 917 . 1 1 82 82 GLU HG2 H 1 2.059 0.020 . 2 . . . A 438 GLU HG2 . 25560 1 918 . 1 1 82 82 GLU HG3 H 1 1.690 0.020 . 2 . . . A 438 GLU HG3 . 25560 1 919 . 1 1 82 82 GLU C C 13 174.943 0.10 . 1 . . . A 438 GLU C . 25560 1 920 . 1 1 82 82 GLU CA C 13 55.463 0.10 . 1 . . . A 438 GLU CA . 25560 1 921 . 1 1 82 82 GLU CB C 13 32.156 0.10 . 1 . . . A 438 GLU CB . 25560 1 922 . 1 1 82 82 GLU CG C 13 37.335 0.10 . 1 . . . A 438 GLU CG . 25560 1 923 . 1 1 82 82 GLU N N 15 119.683 0.10 . 1 . . . A 438 GLU N . 25560 1 924 . 1 1 83 83 TYR H H 1 8.614 0.020 . 1 . . . A 439 TYR H . 25560 1 925 . 1 1 83 83 TYR HA H 1 4.941 0.020 . 1 . . . A 439 TYR HA . 25560 1 926 . 1 1 83 83 TYR HB2 H 1 2.936 0.020 . 2 . . . A 439 TYR HB2 . 25560 1 927 . 1 1 83 83 TYR HB3 H 1 2.390 0.020 . 2 . . . A 439 TYR HB3 . 25560 1 928 . 1 1 83 83 TYR HD1 H 1 7.162 0.020 . 1 . . . A 439 TYR HD1 . 25560 1 929 . 1 1 83 83 TYR HD2 H 1 7.162 0.020 . 1 . . . A 439 TYR HD2 . 25560 1 930 . 1 1 83 83 TYR HE1 H 1 6.646 0.020 . 1 . . . A 439 TYR HE1 . 25560 1 931 . 1 1 83 83 TYR HE2 H 1 6.646 0.020 . 1 . . . A 439 TYR HE2 . 25560 1 932 . 1 1 83 83 TYR C C 13 174.805 0.10 . 1 . . . A 439 TYR C . 25560 1 933 . 1 1 83 83 TYR CA C 13 57.917 0.10 . 1 . . . A 439 TYR CA . 25560 1 934 . 1 1 83 83 TYR CB C 13 40.249 0.10 . 1 . . . A 439 TYR CB . 25560 1 935 . 1 1 83 83 TYR CD1 C 13 133.603 0.10 . 1 . . . A 439 TYR CD1 . 25560 1 936 . 1 1 83 83 TYR CE1 C 13 118.325 0.10 . 1 . . . A 439 TYR CE1 . 25560 1 937 . 1 1 83 83 TYR N N 15 123.930 0.10 . 1 . . . A 439 TYR N . 25560 1 938 . 1 1 84 84 LEU H H 1 9.401 0.020 . 1 . . . A 440 LEU H . 25560 1 939 . 1 1 84 84 LEU HA H 1 5.116 0.020 . 1 . . . A 440 LEU HA . 25560 1 940 . 1 1 84 84 LEU HB2 H 1 1.556 0.020 . 2 . . . A 440 LEU HB2 . 25560 1 941 . 1 1 84 84 LEU HB3 H 1 1.886 0.020 . 2 . . . A 440 LEU HB3 . 25560 1 942 . 1 1 84 84 LEU HG H 1 1.700 0.020 . 1 . . . A 440 LEU HG . 25560 1 943 . 1 1 84 84 LEU HD11 H 1 0.907 0.020 . 1 . . . A 440 LEU QD1 . 25560 1 944 . 1 1 84 84 LEU HD12 H 1 0.907 0.020 . 1 . . . A 440 LEU QD1 . 25560 1 945 . 1 1 84 84 LEU HD13 H 1 0.907 0.020 . 1 . . . A 440 LEU QD1 . 25560 1 946 . 1 1 84 84 LEU HD21 H 1 0.907 0.020 . 1 . . . A 440 LEU QD2 . 25560 1 947 . 1 1 84 84 LEU HD22 H 1 0.907 0.020 . 1 . . . A 440 LEU QD2 . 25560 1 948 . 1 1 84 84 LEU HD23 H 1 0.907 0.020 . 1 . . . A 440 LEU QD2 . 25560 1 949 . 1 1 84 84 LEU C C 13 176.623 0.10 . 1 . . . A 440 LEU C . 25560 1 950 . 1 1 84 84 LEU CA C 13 54.163 0.10 . 1 . . . A 440 LEU CA . 25560 1 951 . 1 1 84 84 LEU CB C 13 42.191 0.10 . 1 . . . A 440 LEU CB . 25560 1 952 . 1 1 84 84 LEU CG C 13 27.624 0.10 . 1 . . . A 440 LEU CG . 25560 1 953 . 1 1 84 84 LEU CD1 C 13 25.243 0.10 . 1 . . . A 440 LEU CD1 . 25560 1 954 . 1 1 84 84 LEU N N 15 124.756 0.10 . 1 . . . A 440 LEU N . 25560 1 955 . 1 1 85 85 ILE H H 1 9.231 0.020 . 1 . . . A 441 ILE H . 25560 1 956 . 1 1 85 85 ILE HA H 1 4.883 0.020 . 1 . . . A 441 ILE HA . 25560 1 957 . 1 1 85 85 ILE HB H 1 1.833 0.020 . 1 . . . A 441 ILE HB . 25560 1 958 . 1 1 85 85 ILE HG12 H 1 1.518 0.020 . 2 . . . A 441 ILE HG12 . 25560 1 959 . 1 1 85 85 ILE HG13 H 1 0.941 0.001 . 2 . . . A 441 ILE HG13 . 25560 1 960 . 1 1 85 85 ILE HG21 H 1 0.773 0.020 . 1 . . . A 441 ILE QG2 . 25560 1 961 . 1 1 85 85 ILE HG22 H 1 0.773 0.020 . 1 . . . A 441 ILE QG2 . 25560 1 962 . 1 1 85 85 ILE HG23 H 1 0.773 0.020 . 1 . . . A 441 ILE QG2 . 25560 1 963 . 1 1 85 85 ILE HD11 H 1 0.530 0.020 . 1 . . . A 441 ILE QD1 . 25560 1 964 . 1 1 85 85 ILE HD12 H 1 0.530 0.020 . 1 . . . A 441 ILE QD1 . 25560 1 965 . 1 1 85 85 ILE HD13 H 1 0.530 0.020 . 1 . . . A 441 ILE QD1 . 25560 1 966 . 1 1 85 85 ILE C C 13 173.828 0.10 . 1 . . . A 441 ILE C . 25560 1 967 . 1 1 85 85 ILE CA C 13 60.537 0.10 . 1 . . . A 441 ILE CA . 25560 1 968 . 1 1 85 85 ILE CB C 13 40.799 0.10 . 1 . . . A 441 ILE CB . 25560 1 969 . 1 1 85 85 ILE CG1 C 13 27.624 0.10 . 1 . . . A 441 ILE CG1 . 25560 1 970 . 1 1 85 85 ILE CG2 C 13 16.642 0.10 . 1 . . . A 441 ILE CG2 . 25560 1 971 . 1 1 85 85 ILE CD1 C 13 14.053 0.10 . 1 . . . A 441 ILE CD1 . 25560 1 972 . 1 1 85 85 ILE N N 15 127.740 0.10 . 1 . . . A 441 ILE N . 25560 1 973 . 1 1 86 86 LYS H H 1 8.504 0.020 . 1 . . . A 442 LYS H . 25560 1 974 . 1 1 86 86 LYS HA H 1 5.131 0.020 . 1 . . . A 442 LYS HA . 25560 1 975 . 1 1 86 86 LYS HB2 H 1 1.896 0.020 . 2 . . . A 442 LYS HB2 . 25560 1 976 . 1 1 86 86 LYS HB3 H 1 1.770 0.020 . 2 . . . A 442 LYS HB3 . 25560 1 977 . 1 1 86 86 LYS HG2 H 1 1.432 0.020 . 2 . . . A 442 LYS HG2 . 25560 1 978 . 1 1 86 86 LYS HG3 H 1 1.285 0.020 . 2 . . . A 442 LYS HG3 . 25560 1 979 . 1 1 86 86 LYS HD2 H 1 1.650 0.020 . 1 . . . A 442 LYS HD2 . 25560 1 980 . 1 1 86 86 LYS HD3 H 1 1.650 0.020 . 1 . . . A 442 LYS HD3 . 25560 1 981 . 1 1 86 86 LYS HE2 H 1 2.911 0.020 . 1 . . . A 442 LYS HE2 . 25560 1 982 . 1 1 86 86 LYS HE3 H 1 2.911 0.020 . 1 . . . A 442 LYS HE3 . 25560 1 983 . 1 1 86 86 LYS C C 13 175.874 0.10 . 1 . . . A 442 LYS C . 25560 1 984 . 1 1 86 86 LYS CA C 13 55.301 0.10 . 1 . . . A 442 LYS CA . 25560 1 985 . 1 1 86 86 LYS CB C 13 33.383 0.10 . 1 . . . A 442 LYS CB . 25560 1 986 . 1 1 86 86 LYS CG C 13 25.358 0.10 . 1 . . . A 442 LYS CG . 25560 1 987 . 1 1 86 86 LYS CD C 13 29.243 0.10 . 1 . . . A 442 LYS CD . 25560 1 988 . 1 1 86 86 LYS CE C 13 42.514 0.10 . 1 . . . A 442 LYS CE . 25560 1 989 . 1 1 86 86 LYS N N 15 128.166 0.10 . 1 . . . A 442 LYS N . 25560 1 990 . 1 1 87 87 MET H H 1 9.323 0.020 . 1 . . . A 443 MET H . 25560 1 991 . 1 1 87 87 MET HA H 1 5.476 0.020 . 1 . . . A 443 MET HA . 25560 1 992 . 1 1 87 87 MET HB2 H 1 1.991 0.020 . 2 . . . A 443 MET HB2 . 25560 1 993 . 1 1 87 87 MET HB3 H 1 2.267 0.020 . 2 . . . A 443 MET HB3 . 25560 1 994 . 1 1 87 87 MET HG2 H 1 2.500 0.020 . 2 . . . A 443 MET HG2 . 25560 1 995 . 1 1 87 87 MET HG3 H 1 2.339 0.020 . 2 . . . A 443 MET HG3 . 25560 1 996 . 1 1 87 87 MET HE1 H 1 1.884 0.020 . 1 . . . A 443 MET HE1 . 25560 1 997 . 1 1 87 87 MET HE2 H 1 1.884 0.020 . 1 . . . A 443 MET HE2 . 25560 1 998 . 1 1 87 87 MET HE3 H 1 1.884 0.020 . 1 . . . A 443 MET HE3 . 25560 1 999 . 1 1 87 87 MET C C 13 175.233 0.10 . 1 . . . A 443 MET C . 25560 1 1000 . 1 1 87 87 MET CA C 13 54.804 0.10 . 1 . . . A 443 MET CA . 25560 1 1001 . 1 1 87 87 MET CB C 13 39.200 0.10 . 1 . . . A 443 MET CB . 25560 1 1002 . 1 1 87 87 MET CG C 13 32.480 0.10 . 1 . . . A 443 MET CG . 25560 1 1003 . 1 1 87 87 MET CE C 13 16.966 0.10 . 1 . . . A 443 MET CE . 25560 1 1004 . 1 1 87 87 MET N N 15 123.613 0.10 . 1 . . . A 443 MET N . 25560 1 1005 . 1 1 88 88 LYS H H 1 9.062 0.020 . 1 . . . A 444 LYS H . 25560 1 1006 . 1 1 88 88 LYS HA H 1 5.511 0.020 . 1 . . . A 444 LYS HA . 25560 1 1007 . 1 1 88 88 LYS HB2 H 1 1.816 0.020 . 2 . . . A 444 LYS HB2 . 25560 1 1008 . 1 1 88 88 LYS HB3 H 1 1.620 0.020 . 2 . . . A 444 LYS HB3 . 25560 1 1009 . 1 1 88 88 LYS HG2 H 1 1.365 0.020 . 2 . . . A 444 LYS HG2 . 25560 1 1010 . 1 1 88 88 LYS HG3 H 1 1.263 0.020 . 2 . . . A 444 LYS HG3 . 25560 1 1011 . 1 1 88 88 LYS HD2 H 1 1.657 0.020 . 2 . . . A 444 LYS HD2 . 25560 1 1012 . 1 1 88 88 LYS HD3 H 1 1.726 0.020 . 2 . . . A 444 LYS HD3 . 25560 1 1013 . 1 1 88 88 LYS HE2 H 1 2.956 0.020 . 1 . . . A 444 LYS HE2 . 25560 1 1014 . 1 1 88 88 LYS HE3 H 1 2.956 0.020 . 1 . . . A 444 LYS HE3 . 25560 1 1015 . 1 1 88 88 LYS C C 13 176.424 0.10 . 1 . . . A 444 LYS C . 25560 1 1016 . 1 1 88 88 LYS CA C 13 54.168 0.10 . 1 . . . A 444 LYS CA . 25560 1 1017 . 1 1 88 88 LYS CB C 13 37.015 0.10 . 1 . . . A 444 LYS CB . 25560 1 1018 . 1 1 88 88 LYS CG C 13 26.006 0.10 . 1 . . . A 444 LYS CG . 25560 1 1019 . 1 1 88 88 LYS CD C 13 29.890 0.10 . 1 . . . A 444 LYS CD . 25560 1 1020 . 1 1 88 88 LYS N N 15 119.622 0.10 . 1 . . . A 444 LYS N . 25560 1 1021 . 1 1 89 89 SER H H 1 8.557 0.020 . 1 . . . A 445 SER H . 25560 1 1022 . 1 1 89 89 SER HA H 1 4.961 0.020 . 1 . . . A 445 SER HA . 25560 1 1023 . 1 1 89 89 SER HB2 H 1 4.224 0.001 . 1 . . . A 445 SER HB2 . 25560 1 1024 . 1 1 89 89 SER HB3 H 1 4.224 0.001 . 1 . . . A 445 SER HB3 . 25560 1 1025 . 1 1 89 89 SER CA C 13 56.110 0.10 . 1 . . . A 445 SER CA . 25560 1 1026 . 1 1 89 89 SER CB C 13 66.445 0.10 . 1 . . . A 445 SER CB . 25560 1 1027 . 1 1 89 89 SER N N 15 109.744 0.10 . 1 . . . A 445 SER N . 25560 1 1028 . 1 1 90 90 PRO HA H 1 5.080 0.008 . 1 . . . A 446 PRO HA . 25560 1 1029 . 1 1 90 90 PRO HB2 H 1 1.925 0.020 . 2 . . . A 446 PRO HB2 . 25560 1 1030 . 1 1 90 90 PRO HB3 H 1 2.372 0.025 . 2 . . . A 446 PRO HB3 . 25560 1 1031 . 1 1 90 90 PRO HG2 H 1 1.903 0.001 . 1 . . . A 446 PRO HG2 . 25560 1 1032 . 1 1 90 90 PRO HG3 H 1 1.903 0.001 . 1 . . . A 446 PRO HG3 . 25560 1 1033 . 1 1 90 90 PRO HD2 H 1 2.911 0.020 . 2 . . . A 446 PRO HD2 . 25560 1 1034 . 1 1 90 90 PRO HD3 H 1 3.905 0.020 . 2 . . . A 446 PRO HD3 . 25560 1 1035 . 1 1 90 90 PRO CA C 13 64.664 0.162 . 1 . . . A 446 PRO CA . 25560 1 1036 . 1 1 90 90 PRO CB C 13 31.832 0.10 . 1 . . . A 446 PRO CB . 25560 1 1037 . 1 1 90 90 PRO CG C 13 27.300 0.10 . 1 . . . A 446 PRO CG . 25560 1 1038 . 1 1 90 90 PRO CD C 13 51.578 0.10 . 1 . . . A 446 PRO CD . 25560 1 1039 . 1 1 91 91 ALA H H 1 8.030 0.020 . 1 . . . A 447 ALA H . 25560 1 1040 . 1 1 91 91 ALA HA H 1 4.285 0.020 . 1 . . . A 447 ALA HA . 25560 1 1041 . 1 1 91 91 ALA HB1 H 1 1.388 0.020 . 1 . . . A 447 ALA HB1 . 25560 1 1042 . 1 1 91 91 ALA HB2 H 1 1.388 0.020 . 1 . . . A 447 ALA HB2 . 25560 1 1043 . 1 1 91 91 ALA HB3 H 1 1.388 0.020 . 1 . . . A 447 ALA HB3 . 25560 1 1044 . 1 1 91 91 ALA C C 13 177.646 0.10 . 1 . . . A 447 ALA C . 25560 1 1045 . 1 1 91 91 ALA CA C 13 52.873 0.10 . 1 . . . A 447 ALA CA . 25560 1 1046 . 1 1 91 91 ALA CB C 13 19.879 0.10 . 1 . . . A 447 ALA CB . 25560 1 1047 . 1 1 91 91 ALA N N 15 120.167 0.10 . 1 . . . A 447 ALA N . 25560 1 1048 . 1 1 92 92 ALA H H 1 7.130 0.020 . 1 . . . A 448 ALA H . 25560 1 1049 . 1 1 92 92 ALA HA H 1 3.944 0.020 . 1 . . . A 448 ALA HA . 25560 1 1050 . 1 1 92 92 ALA HB1 H 1 1.180 0.020 . 1 . . . A 448 ALA HB1 . 25560 1 1051 . 1 1 92 92 ALA HB2 H 1 1.180 0.020 . 1 . . . A 448 ALA HB2 . 25560 1 1052 . 1 1 92 92 ALA HB3 H 1 1.180 0.020 . 1 . . . A 448 ALA HB3 . 25560 1 1053 . 1 1 92 92 ALA C C 13 176.714 0.10 . 1 . . . A 448 ALA C . 25560 1 1054 . 1 1 92 92 ALA CA C 13 58.052 0.10 . 1 . . . A 448 ALA CA . 25560 1 1055 . 1 1 92 92 ALA CB C 13 18.908 0.10 . 1 . . . A 448 ALA CB . 25560 1 1056 . 1 1 92 92 ALA N N 15 116.723 0.10 . 1 . . . A 448 ALA N . 25560 1 1057 . 1 1 93 93 CYS H H 1 7.454 0.020 . 1 . . . A 449 CYS H . 25560 1 1058 . 1 1 93 93 CYS HA H 1 4.752 0.020 . 1 . . . A 449 CYS HA . 25560 1 1059 . 1 1 93 93 CYS HB2 H 1 3.097 0.001 . 2 . . . A 449 CYS HB2 . 25560 1 1060 . 1 1 93 93 CYS HB3 H 1 3.514 0.001 . 2 . . . A 449 CYS HB3 . 25560 1 1061 . 1 1 93 93 CYS C C 13 173.782 0.10 . 1 . . . A 449 CYS C . 25560 1 1062 . 1 1 93 93 CYS CA C 13 55.786 0.10 . 1 . . . A 449 CYS CA . 25560 1 1063 . 1 1 93 93 CYS CB C 13 42.838 0.10 . 1 . . . A 449 CYS CB . 25560 1 1064 . 1 1 93 93 CYS N N 15 117.982 0.10 . 1 . . . A 449 CYS N . 25560 1 1065 . 1 1 94 94 SER H H 1 8.160 0.020 . 1 . . . A 450 SER H . 25560 1 1066 . 1 1 94 94 SER HA H 1 4.311 0.020 . 1 . . . A 450 SER HA . 25560 1 1067 . 1 1 94 94 SER HB2 H 1 3.908 0.020 . 1 . . . A 450 SER HB2 . 25560 1 1068 . 1 1 94 94 SER HB3 H 1 3.908 0.020 . 1 . . . A 450 SER HB3 . 25560 1 1069 . 1 1 94 94 SER CA C 13 60.318 0.10 . 1 . . . A 450 SER CA . 25560 1 1070 . 1 1 94 94 SER CB C 13 65.150 0.10 . 1 . . . A 450 SER CB . 25560 1 1071 . 1 1 94 94 SER N N 15 123.341 0.10 . 1 . . . A 450 SER N . 25560 1 stop_ save_