data_50705 save_entry_interview_1 _Entry_interview.Sf_category entry_interview _Entry_interview.Sf_framecode entry_interview_1 _Entry_interview.Entry_ID 50705 _Entry_interview.ID 1 _Entry_interview.PDB_deposition no _Entry_interview.BMRB_deposition yes _Entry_interview.View_mode "BMRB Only" _Entry_interview.Use_previous_BMRB_entry no _Entry_interview.Previous_BMRB_entry_owner no _Entry_interview.Structural_genomics no _Entry_interview.Ligands no _Entry_interview.Non_standard_residues no _Entry_interview.Small_mol_mixture no _Entry_interview.Constraints no _Entry_interview.Assigned_chem_shifts yes _Entry_interview.Coupling_constants no _Entry_interview.Chem_shift_isotope_effect no _Entry_interview.Chem_shift_perturbation no _Entry_interview.Auto_relaxation no _Entry_interview.Tensor no _Entry_interview.Interatomic_distance no _Entry_interview.Chem_shift_anisotropy no _Entry_interview.Heteronucl_NOEs no _Entry_interview.Heteronucl_T1_relaxation no _Entry_interview.Heteronucl_T2_relaxation no _Entry_interview.Heteronucl_T1rho_relaxation no _Entry_interview.Order_parameters no _Entry_interview.Dynamics_trajectory no _Entry_interview.Movie no _Entry_interview.Image_file no _Entry_interview.Residual_dipolar_couplings no _Entry_interview.H_exchange_rate no _Entry_interview.H_exchange_protection_factors no _Entry_interview.Chem_rate_constants no _Entry_interview.Spectral_peak_lists no _Entry_interview.Dipole_dipole_couplings no _Entry_interview.Quadrupolar_couplings no _Entry_interview.Homonucl_NOEs no _Entry_interview.Dipole_dipole_relaxation no _Entry_interview.DD_cross_correlation no _Entry_interview.Dipole_CSA_cross_correlation no _Entry_interview.Binding_constants no _Entry_interview.PKa_value_data_set no _Entry_interview.D_H_fractionation_factors no _Entry_interview.Theoretical_chem_shifts no _Entry_interview.Theoretical_coupling_constants no _Entry_interview.Theoretical_heteronucl_NOEs no _Entry_interview.Theoretical_T1_relaxation no _Entry_interview.Theoretical_T2_relaxation no _Entry_interview.Theoretical_auto_relaxation no _Entry_interview.Theoretical_DD_cross_correlation no _Entry_interview.Spectral_density_values no _Entry_interview.Timedomain_data no _Entry_interview.Secondary_structure_orientations no _Entry_interview.Metabolite_coordinates no _Entry_interview.Mass_spec_data no _Entry_interview.Other_kind_of_data no save_ save_deposited_data_files_1 _Deposited_data_files.Sf_category deposited_data_files _Deposited_data_files.Sf_framecode deposited_data_files_1 _Deposited_data_files.Entry_ID 50705 _Deposited_data_files.ID 1 loop_ _Upload_data.Data_file_ID _Upload_data.Data_file_name _Upload_data.Data_file_content_type _Upload_data.Data_file_Sf_category _Upload_data.Data_file_syntax _Upload_data.Data_file_immutable_flag _Upload_data.Entry_ID _Upload_data.Deposited_data_files_ID 1 cbd367.str "Assigned NMR chemical shifts" assigned_chemical_shifts . . 50705 1 stop_ save_ save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50705 _Entry.Title "Resonance Assignments of the C-terminal domain of Twort endolysin" _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-12 _Entry.Accession_date 2021-01-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.10.3 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Dep_release_code_coordinates ? _Entry.Dep_release_code_chemical_shifts ? _Entry.Dep_release_code_nmr_exptl ? _Entry.Dep_release_code_sequence ? _Entry.Details . _Entry.Release_request "Hold for publication" _Entry.BMRB_internal_directory_name . _Entry.RCSB_annotator ? loop_ _Contact_person.ID _Contact_person.Email_address _Contact_person.Given_name _Contact_person.Family_name _Contact_person.Department_and_institution _Contact_person.Country _Contact_person.State_province _Contact_person.City _Contact_person.Postal_code _Contact_person.Address_1 _Contact_person.Phone_number _Contact_person.Role _Contact_person.Organization_type _Contact_person.Entry_ID 1 jorge.dias@fct.unl.pt Jorge Dias "UCIBIO, Departamento Quimica, FCT-NOVA" Portugal Setubal Caparica 2829-516 . . "principal investigator" academic 50705 2 ra.francisco@campus.fct.unl.pt Rodrigo Francisco "UCIBIO, Departamento Quimica, FCT-NOVA" Portugal Setubal Caparica 2829-516 . . investigator academic 50705 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rodrigo Francisco . A. . . 50705 2 Filipe Freire . . . 0000-0002-5310-0668 50705 3 Jorge Dias . S. . 0000-0001-9725-1882 50705 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50705 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID "1H chemical shifts" 654 50705 "13C chemical shifts" 436 50705 "15N chemical shifts" 115 50705 stop_ save_ save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50705 _Citation.ID 1 _Citation.Name . _Citation.Class "entry citation" _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title "Backbone and side chain resonance assignments of the cell wall binding domain of Twort phage endolysin PlyTW" _Citation.Status "in preparation" _Citation.Type journal _Citation.Journal_abbrev "Biomol. NMR Assignments" _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rodrigo Francisco . A. . . 50705 1 2 Filipe Freire . . . . 50705 1 3 Jorge Dias . S. . . 50705 1 stop_ save_ save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50705 _Assembly.ID 1 _Assembly.Name "Twort C-terminal domain" _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 "Twort C-terminal domain" 1 $entity_1 . . yes native no no . . . 50705 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID "S. aureus peptidoglycan binding domain" 50705 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50705 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ? _Entity.Polymer_seq_one_letter_code ; GSKQSSTSGWNVNNYGTYYK SESATFKCTARQGIVTRYTG PFTTCPQAGVLYYGQSVTYD TVCKQDGYVWISWTTNGGQD VWMPVRTWDKNTDIMGQLWG DIY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 365 GLY . 50705 1 2 366 SER . 50705 1 3 367 LYS . 50705 1 4 368 GLN . 50705 1 5 369 SER . 50705 1 6 370 SER . 50705 1 7 371 THR . 50705 1 8 372 SER . 50705 1 9 373 GLY . 50705 1 10 374 TRP . 50705 1 11 375 ASN . 50705 1 12 376 VAL . 50705 1 13 377 ASN . 50705 1 14 378 ASN . 50705 1 15 379 TYR . 50705 1 16 380 GLY . 50705 1 17 381 THR . 50705 1 18 382 TYR . 50705 1 19 383 TYR . 50705 1 20 384 LYS . 50705 1 21 385 SER . 50705 1 22 386 GLU . 50705 1 23 387 SER . 50705 1 24 388 ALA . 50705 1 25 389 THR . 50705 1 26 390 PHE . 50705 1 27 391 LYS . 50705 1 28 392 CYS . 50705 1 29 393 THR . 50705 1 30 394 ALA . 50705 1 31 395 ARG . 50705 1 32 396 GLN . 50705 1 33 397 GLY . 50705 1 34 398 ILE . 50705 1 35 399 VAL . 50705 1 36 400 THR . 50705 1 37 401 ARG . 50705 1 38 402 TYR . 50705 1 39 403 THR . 50705 1 40 404 GLY . 50705 1 41 405 PRO . 50705 1 42 406 PHE . 50705 1 43 407 THR . 50705 1 44 408 THR . 50705 1 45 409 CYS . 50705 1 46 410 PRO . 50705 1 47 411 GLN . 50705 1 48 412 ALA . 50705 1 49 413 GLY . 50705 1 50 414 VAL . 50705 1 51 415 LEU . 50705 1 52 416 TYR . 50705 1 53 417 TYR . 50705 1 54 418 GLY . 50705 1 55 419 GLN . 50705 1 56 420 SER . 50705 1 57 421 VAL . 50705 1 58 422 THR . 50705 1 59 423 TYR . 50705 1 60 424 ASP . 50705 1 61 425 THR . 50705 1 62 426 VAL . 50705 1 63 427 CYS . 50705 1 64 428 LYS . 50705 1 65 429 GLN . 50705 1 66 430 ASP . 50705 1 67 431 GLY . 50705 1 68 432 TYR . 50705 1 69 433 VAL . 50705 1 70 434 TRP . 50705 1 71 435 ILE . 50705 1 72 436 SER . 50705 1 73 437 TRP . 50705 1 74 438 THR . 50705 1 75 439 THR . 50705 1 76 440 ASN . 50705 1 77 441 GLY . 50705 1 78 442 GLY . 50705 1 79 443 GLN . 50705 1 80 444 ASP . 50705 1 81 445 VAL . 50705 1 82 446 TRP . 50705 1 83 447 MET . 50705 1 84 448 PRO . 50705 1 85 449 VAL . 50705 1 86 450 ARG . 50705 1 87 451 THR . 50705 1 88 452 TRP . 50705 1 89 453 ASP . 50705 1 90 454 LYS . 50705 1 91 455 ASN . 50705 1 92 456 THR . 50705 1 93 457 ASP . 50705 1 94 458 ILE . 50705 1 95 459 MET . 50705 1 96 460 GLY . 50705 1 97 461 GLN . 50705 1 98 462 LEU . 50705 1 99 463 TRP . 50705 1 100 464 GLY . 50705 1 101 465 ASP . 50705 1 102 466 ILE . 50705 1 103 467 TYR . 50705 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 . GLY 1 1 50705 1 . SER 2 2 50705 1 . LYS 3 3 50705 1 . GLN 4 4 50705 1 . SER 5 5 50705 1 . SER 6 6 50705 1 . THR 7 7 50705 1 . SER 8 8 50705 1 . GLY 9 9 50705 1 . TRP 10 10 50705 1 . ASN 11 11 50705 1 . VAL 12 12 50705 1 . ASN 13 13 50705 1 . ASN 14 14 50705 1 . TYR 15 15 50705 1 . GLY 16 16 50705 1 . THR 17 17 50705 1 . TYR 18 18 50705 1 . TYR 19 19 50705 1 . LYS 20 20 50705 1 . SER 21 21 50705 1 . GLU 22 22 50705 1 . SER 23 23 50705 1 . ALA 24 24 50705 1 . THR 25 25 50705 1 . PHE 26 26 50705 1 . LYS 27 27 50705 1 . CYS 28 28 50705 1 . THR 29 29 50705 1 . ALA 30 30 50705 1 . ARG 31 31 50705 1 . GLN 32 32 50705 1 . GLY 33 33 50705 1 . ILE 34 34 50705 1 . VAL 35 35 50705 1 . THR 36 36 50705 1 . ARG 37 37 50705 1 . TYR 38 38 50705 1 . THR 39 39 50705 1 . GLY 40 40 50705 1 . PRO 41 41 50705 1 . PHE 42 42 50705 1 . THR 43 43 50705 1 . THR 44 44 50705 1 . CYS 45 45 50705 1 . PRO 46 46 50705 1 . GLN 47 47 50705 1 . ALA 48 48 50705 1 . GLY 49 49 50705 1 . VAL 50 50 50705 1 . LEU 51 51 50705 1 . TYR 52 52 50705 1 . TYR 53 53 50705 1 . GLY 54 54 50705 1 . GLN 55 55 50705 1 . SER 56 56 50705 1 . VAL 57 57 50705 1 . THR 58 58 50705 1 . TYR 59 59 50705 1 . ASP 60 60 50705 1 . THR 61 61 50705 1 . VAL 62 62 50705 1 . CYS 63 63 50705 1 . LYS 64 64 50705 1 . GLN 65 65 50705 1 . ASP 66 66 50705 1 . GLY 67 67 50705 1 . TYR 68 68 50705 1 . VAL 69 69 50705 1 . TRP 70 70 50705 1 . ILE 71 71 50705 1 . SER 72 72 50705 1 . TRP 73 73 50705 1 . THR 74 74 50705 1 . THR 75 75 50705 1 . ASN 76 76 50705 1 . GLY 77 77 50705 1 . GLY 78 78 50705 1 . GLN 79 79 50705 1 . ASP 80 80 50705 1 . VAL 81 81 50705 1 . TRP 82 82 50705 1 . MET 83 83 50705 1 . PRO 84 84 50705 1 . VAL 85 85 50705 1 . ARG 86 86 50705 1 . THR 87 87 50705 1 . TRP 88 88 50705 1 . ASP 89 89 50705 1 . LYS 90 90 50705 1 . ASN 91 91 50705 1 . THR 92 92 50705 1 . ASP 93 93 50705 1 . ILE 94 94 50705 1 . MET 95 95 50705 1 . GLY 96 96 50705 1 . GLN 97 97 50705 1 . LEU 98 98 50705 1 . TRP 99 99 50705 1 . GLY 100 100 50705 1 . ASP 101 101 50705 1 . ILE 102 102 50705 1 . TYR 103 103 50705 1 stop_ save_ save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50705 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1280 organism . "Staphylococcus aureus Phage Twort" "Staphylococcus aureus" . . Bacteria ? Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 50705 1 stop_ save_ save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50705 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . "recombinant technology" "Escherichia coli" . . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pet28 . . . . . . 50705 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50705 _Sample.ID 1 _Sample.Name cbd367 _Sample.Type solution _Sample.Sub_type . _Sample.Details "15N-13C-CBD367 at 350 mM in 10 mM Phosphate buffer pH 6.5, 10 mM DTT, 10% D2O" _Sample.Aggregate_sample_number 1 _Sample.Solvent_system "90% H2O/10% D2O" _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBD367 "[U-100% 13C; U-100% 15N]" . . 1 $entity_1 . . 350 . . uM . . . . 50705 1 2 DTT "natural abundance" . . . . . . 10 . . mM . . . . 50705 1 3 "phosphate buffer" "natural abundance" . . . . . . 10 . . mM . . . . 50705 1 4 D2O "[U-99% 2H]" . . . . . . 10 . . % . . . . 50705 1 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50705 _Sample_condition_list.ID 1 _Sample_condition_list.Name "Low ionic strength conditions" _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 293 . K 50705 1 pH 6.5 . pH 50705 1 pressure 1 . atm 50705 1 "ionic strength" 0 . M 50705 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50705 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . "Data Acquisition and Processing" 50705 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50705 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details "NMRPipe is a collection of UNIX-based programs for multidimensional spectral processing and analysis" loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . "data analysis" 50705 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50705 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details "CARA is a software application for the analysis of NMR spectra and computer aided resonance assignment" loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . "chemical shift assignment" 50705 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50705 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . "structure solution" 50705 4 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50705 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name "Bruker Avance III" _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model "AVANCE III" _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50705 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name "Bruker Avance NEO" _NMR_spectrometer.Details "Avance NEO" _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model "AVANCE NEO" _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50705 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 "2D 1H-15N HSQC" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 2 "2D 1H-15N HSQC" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50705 1 3 "2D 1H-13C HSQC aliphatic" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 4 "2D 1H-13C HSQC aliphatic CT" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 5 "1H-15N heteronoe" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 6 "3D HNCO" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 7 "3D HN(CA)CO" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 8 "3D HN(CO)CA" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 9 "3D HNCA" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 10 "3D CBCA(CO)NH" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 11 "3D HNCACB" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 12 "3D HBHA(CO)NH" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 13 "3D C(CO)NH" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 14 "3D H(CCO)NH" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 15 "3D H(C)CH-TOCSY" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 16 "3D (H)CCH-TOCSY" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 17 "3D 1H-15N TOCSY" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 18 "3D 1H-15N NOESY" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 19 "3D 1H-13C NOESY aliphatic" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 20 "3D 1H-13C NOESY aromatic" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50705 1 stop_ save_ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50705 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Proton_shifts_flag "yes with IUPAC referencing" _Chem_shift_reference.Carbon_shifts_flag "yes with IUPAC referencing" _Chem_shift_reference.Nitrogen_shifts_flag "yes with IUPAC referencing" _Chem_shift_reference.Phosphorus_shifts_flag no _Chem_shift_reference.Other_shifts_flag no _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 H 1 DSS "methyl protons" . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 50705 1 C 13 DSS "methyl protons" . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 50705 1 N 15 DSS "methyl protons" . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 50705 1 stop_ save_ save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50705 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name cbd367 _Assigned_chem_shift_list.Data_file_name cbd367.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 "2D 1H-15N HSQC" . . . 50705 1 4 "2D 1H-13C HSQC aliphatic CT" . . . 50705 1 6 "3D HNCO" . . . 50705 1 7 "3D HN(CA)CO" . . . 50705 1 8 "3D HN(CO)CA" . . . 50705 1 9 "3D HNCA" . . . 50705 1 10 "3D CBCA(CO)NH" . . . 50705 1 11 "3D HNCACB" . . . 50705 1 12 "3D HBHA(CO)NH" . . . 50705 1 13 "3D C(CO)NH" . . . 50705 1 14 "3D H(CCO)NH" . . . 50705 1 15 "3D H(C)CH-TOCSY" . . . 50705 1 16 "3D (H)CCH-TOCSY" . . . 50705 1 17 "3D 1H-15N TOCSY" . . . 50705 1 18 "3D 1H-15N NOESY" . . . 50705 1 19 "3D 1H-13C NOESY aliphatic" . . . 50705 1 20 "3D 1H-13C NOESY aromatic" . . . 50705 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50705 1 2 $software_2 . . 50705 1 3 $software_3 . . 50705 1 4 $software_4 . . 50705 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.PDB_record_ID _Atom_chem_shift.PDB_model_num _Atom_chem_shift.PDB_strand_ID _Atom_chem_shift.PDB_ins_code _Atom_chem_shift.PDB_residue_no _Atom_chem_shift.PDB_residue_name _Atom_chem_shift.PDB_atom_name _Atom_chem_shift.Original_PDB_strand_ID _Atom_chem_shift.Original_PDB_residue_no _Atom_chem_shift.Original_PDB_residue_name _Atom_chem_shift.Original_PDB_atom_name _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LYS H H 1 8.494 0.020 . 1 . . . . . 367 LYS H . . . . . . . . . . . . 50705 1 2 . 1 . 1 3 3 LYS C C 13 173.844 0.3 . 1 . . . . . 367 LYS C . . . . . . . . . . . . 50705 1 3 . 1 . 1 3 3 LYS CA C 13 54.445 0.3 . 1 . . . . . 367 LYS CA . . . . . . . . . . . . 50705 1 4 . 1 . 1 3 3 LYS CB C 13 30.852 0.3 . 1 . . . . . 367 LYS CB . . . . . . . . . . . . 50705 1 5 . 1 . 1 3 3 LYS CG C 13 22.707 0.3 . 1 . . . . . 367 LYS CG . . . . . . . . . . . . 50705 1 6 . 1 . 1 3 3 LYS CD C 13 27.288 0.3 . 1 . . . . . 367 LYS CD . . . . . . . . . . . . 50705 1 7 . 1 . 1 3 3 LYS N N 15 123.427 0.3 . 1 . . . . . 367 LYS N . . . . . . . . . . . . 50705 1 8 . 1 . 1 4 4 GLN H H 1 8.385 0.020 . 1 . . . . . 368 GLN H . . . . . . . . . . . . 50705 1 9 . 1 . 1 4 4 GLN HE21 H 1 6.811 0.020 . 1 . . . . . 368 GLN HE21 . . . . . . . . . . . . 50705 1 10 . 1 . 1 4 4 GLN HE22 H 1 7.538 0.020 . 1 . . . . . 368 GLN HE22 . . . . . . . . . . . . 50705 1 11 . 1 . 1 4 4 GLN C C 13 173.220 0.3 . 1 . . . . . 368 GLN C . . . . . . . . . . . . 50705 1 12 . 1 . 1 4 4 GLN CA C 13 54.014 0.3 . 1 . . . . . 368 GLN CA . . . . . . . . . . . . 50705 1 13 . 1 . 1 4 4 GLN CB C 13 27.434 0.3 . 1 . . . . . 368 GLN CB . . . . . . . . . . . . 50705 1 14 . 1 . 1 4 4 GLN CG C 13 32.212 0.3 . 1 . . . . . 368 GLN CG . . . . . . . . . . . . 50705 1 15 . 1 . 1 4 4 GLN N N 15 121.780 0.3 . 1 . . . . . 368 GLN N . . . . . . . . . . . . 50705 1 16 . 1 . 1 4 4 GLN NE2 N 15 112.286 0.3 . 1 . . . . . 368 GLN NE2 . . . . . . . . . . . . 50705 1 17 . 1 . 1 5 5 SER H H 1 8.355 0.020 . 1 . . . . . 369 SER H . . . . . . . . . . . . 50705 1 18 . 1 . 1 5 5 SER C C 13 172.010 0.3 . 1 . . . . . 369 SER C . . . . . . . . . . . . 50705 1 19 . 1 . 1 5 5 SER CA C 13 56.506 0.3 . 1 . . . . . 369 SER CA . . . . . . . . . . . . 50705 1 20 . 1 . 1 5 5 SER CB C 13 62.003 0.3 . 1 . . . . . 369 SER CB . . . . . . . . . . . . 50705 1 21 . 1 . 1 5 5 SER N N 15 117.334 0.3 . 1 . . . . . 369 SER N . . . . . . . . . . . . 50705 1 22 . 1 . 1 6 6 SER H H 1 8.455 0.020 . 1 . . . . . 370 SER H . . . . . . . . . . . . 50705 1 23 . 1 . 1 6 6 SER C C 13 170.689 0.3 . 1 . . . . . 370 SER C . . . . . . . . . . . . 50705 1 24 . 1 . 1 6 6 SER CA C 13 56.987 0.3 . 1 . . . . . 370 SER CA . . . . . . . . . . . . 50705 1 25 . 1 . 1 6 6 SER CB C 13 61.401 0.3 . 1 . . . . . 370 SER CB . . . . . . . . . . . . 50705 1 26 . 1 . 1 6 6 SER N N 15 118.027 0.3 . 1 . . . . . 370 SER N . . . . . . . . . . . . 50705 1 27 . 1 . 1 7 7 THR H H 1 8.194 0.020 . 1 . . . . . 371 THR H . . . . . . . . . . . . 50705 1 28 . 1 . 1 7 7 THR HA H 1 4.431 0.020 . 1 . . . . . 371 THR HA . . . . . . . . . . . . 50705 1 29 . 1 . 1 7 7 THR HB H 1 4.341 0.020 . 1 . . . . . 371 THR HB . . . . . . . . . . . . 50705 1 30 . 1 . 1 7 7 THR HG21 H 1 1.169 0.020 . 1 . . . . . 371 THR HG2 . . . . . . . . . . . . 50705 1 31 . 1 . 1 7 7 THR HG22 H 1 1.169 0.020 . 1 . . . . . 371 THR HG2 . . . . . . . . . . . . 50705 1 32 . 1 . 1 7 7 THR HG23 H 1 1.169 0.020 . 1 . . . . . 371 THR HG2 . . . . . . . . . . . . 50705 1 33 . 1 . 1 7 7 THR C C 13 173.770 0.3 . 1 . . . . . 371 THR C . . . . . . . . . . . . 50705 1 34 . 1 . 1 7 7 THR CA C 13 60.038 0.3 . 1 . . . . . 371 THR CA . . . . . . . . . . . . 50705 1 35 . 1 . 1 7 7 THR CB C 13 67.646 0.3 . 1 . . . . . 371 THR CB . . . . . . . . . . . . 50705 1 36 . 1 . 1 7 7 THR CG2 C 13 19.579 0.3 . 1 . . . . . 371 THR CG2 . . . . . . . . . . . . 50705 1 37 . 1 . 1 7 7 THR N N 15 114.704 0.3 . 1 . . . . . 371 THR N . . . . . . . . . . . . 50705 1 38 . 1 . 1 8 8 SER H H 1 8.224 0.020 . 1 . . . . . 372 SER H . . . . . . . . . . . . 50705 1 39 . 1 . 1 8 8 SER HA H 1 4.509 0.020 . 1 . . . . . 372 SER HA . . . . . . . . . . . . 50705 1 40 . 1 . 1 8 8 SER HB2 H 1 3.878 0.020 . 1 . . . . . 372 SER HB2 . . . . . . . . . . . . 50705 1 41 . 1 . 1 8 8 SER HB3 H 1 3.878 0.020 . 1 . . . . . 372 SER HB3 . . . . . . . . . . . . 50705 1 42 . 1 . 1 8 8 SER C C 13 172.046 0.3 . 1 . . . . . 372 SER C . . . . . . . . . . . . 50705 1 43 . 1 . 1 8 8 SER CA C 13 56.579 0.3 . 1 . . . . . 372 SER CA . . . . . . . . . . . . 50705 1 44 . 1 . 1 8 8 SER CB C 13 61.906 0.3 . 1 . . . . . 372 SER CB . . . . . . . . . . . . 50705 1 45 . 1 . 1 8 8 SER N N 15 118.073 0.3 . 1 . . . . . 372 SER N . . . . . . . . . . . . 50705 1 46 . 1 . 1 9 9 GLY H H 1 8.418 0.020 . 1 . . . . . 373 GLY H . . . . . . . . . . . . 50705 1 47 . 1 . 1 9 9 GLY HA2 H 1 3.865 0.020 . 1 . . . . . 373 GLY HA2 . . . . . . . . . . . . 50705 1 48 . 1 . 1 9 9 GLY HA3 H 1 3.865 0.020 . 1 . . . . . 373 GLY HA3 . . . . . . . . . . . . 50705 1 49 . 1 . 1 9 9 GLY C C 13 170.762 0.3 . 1 . . . . . 373 GLY C . . . . . . . . . . . . 50705 1 50 . 1 . 1 9 9 GLY CA C 13 43.004 0.3 . 1 . . . . . 373 GLY CA . . . . . . . . . . . . 50705 1 51 . 1 . 1 9 9 GLY N N 15 110.219 0.3 . 1 . . . . . 373 GLY N . . . . . . . . . . . . 50705 1 52 . 1 . 1 10 10 TRP H H 1 8.125 0.020 . 1 . . . . . 374 TRP H . . . . . . . . . . . . 50705 1 53 . 1 . 1 10 10 TRP HA H 1 4.443 0.020 . 1 . . . . . 374 TRP HA . . . . . . . . . . . . 50705 1 54 . 1 . 1 10 10 TRP HB2 H 1 3.262 0.020 . 2 . . . . . 374 TRP HB2 . . . . . . . . . . . . 50705 1 55 . 1 . 1 10 10 TRP HB3 H 1 3.092 0.020 . 2 . . . . . 374 TRP HB3 . . . . . . . . . . . . 50705 1 56 . 1 . 1 10 10 TRP HD1 H 1 7.205 0.020 . 1 . . . . . 374 TRP HD1 . . . . . . . . . . . . 50705 1 57 . 1 . 1 10 10 TRP HE1 H 1 10.041 0.020 . 1 . . . . . 374 TRP HE1 . . . . . . . . . . . . 50705 1 58 . 1 . 1 10 10 TRP HE3 H 1 7.098 0.020 . 1 . . . . . 374 TRP HE3 . . . . . . . . . . . . 50705 1 59 . 1 . 1 10 10 TRP HZ2 H 1 7.219 0.020 . 1 . . . . . 374 TRP HZ2 . . . . . . . . . . . . 50705 1 60 . 1 . 1 10 10 TRP HZ3 H 1 6.839 0.020 . 1 . . . . . 374 TRP HZ3 . . . . . . . . . . . . 50705 1 61 . 1 . 1 10 10 TRP HH2 H 1 6.795 0.020 . 1 . . . . . 374 TRP HH2 . . . . . . . . . . . . 50705 1 62 . 1 . 1 10 10 TRP C C 13 173.477 0.3 . 1 . . . . . 374 TRP C . . . . . . . . . . . . 50705 1 63 . 1 . 1 10 10 TRP CA C 13 55.017 0.3 . 1 . . . . . 374 TRP CA . . . . . . . . . . . . 50705 1 64 . 1 . 1 10 10 TRP CB C 13 28.373 0.3 . 1 . . . . . 374 TRP CB . . . . . . . . . . . . 50705 1 65 . 1 . 1 10 10 TRP CD1 C 13 125.430 0.3 . 1 . . . . . 374 TRP CD1 . . . . . . . . . . . . 50705 1 66 . 1 . 1 10 10 TRP CE3 C 13 132.110 0.3 . 1 . . . . . 374 TRP CE3 . . . . . . . . . . . . 50705 1 67 . 1 . 1 10 10 TRP CZ2 C 13 111.664 0.3 . 1 . . . . . 374 TRP CZ2 . . . . . . . . . . . . 50705 1 68 . 1 . 1 10 10 TRP CZ3 C 13 131.891 0.3 . 1 . . . . . 374 TRP CZ3 . . . . . . . . . . . . 50705 1 69 . 1 . 1 10 10 TRP CH2 C 13 121.561 0.3 . 1 . . . . . 374 TRP CH2 . . . . . . . . . . . . 50705 1 70 . 1 . 1 10 10 TRP N N 15 119.173 0.3 . 1 . . . . . 374 TRP N . . . . . . . . . . . . 50705 1 71 . 1 . 1 10 10 TRP NE1 N 15 129.695 0.3 . 1 . . . . . 374 TRP NE1 . . . . . . . . . . . . 50705 1 72 . 1 . 1 11 11 ASN H H 1 8.747 0.020 . 1 . . . . . 375 ASN H . . . . . . . . . . . . 50705 1 73 . 1 . 1 11 11 ASN HA H 1 4.927 0.020 . 1 . . . . . 375 ASN HA . . . . . . . . . . . . 50705 1 74 . 1 . 1 11 11 ASN HB2 H 1 2.315 0.020 . 2 . . . . . 375 ASN HB2 . . . . . . . . . . . . 50705 1 75 . 1 . 1 11 11 ASN HB3 H 1 1.464 0.020 . 2 . . . . . 375 ASN HB3 . . . . . . . . . . . . 50705 1 76 . 1 . 1 11 11 ASN HD21 H 1 6.733 0.020 . 1 . . . . . 375 ASN HD21 . . . . . . . . . . . . 50705 1 77 . 1 . 1 11 11 ASN HD22 H 1 6.988 0.020 . 1 . . . . . 375 ASN HD22 . . . . . . . . . . . . 50705 1 78 . 1 . 1 11 11 ASN C C 13 170.469 0.3 . 1 . . . . . 375 ASN C . . . . . . . . . . . . 50705 1 79 . 1 . 1 11 11 ASN CA C 13 49.864 0.3 . 1 . . . . . 375 ASN CA . . . . . . . . . . . . 50705 1 80 . 1 . 1 11 11 ASN CB C 13 38.669 0.3 . 1 . . . . . 375 ASN CB . . . . . . . . . . . . 50705 1 81 . 1 . 1 11 11 ASN N N 15 121.819 0.3 . 1 . . . . . 375 ASN N . . . . . . . . . . . . 50705 1 82 . 1 . 1 11 11 ASN ND2 N 15 113.659 0.3 . 1 . . . . . 375 ASN ND2 . . . . . . . . . . . . 50705 1 83 . 1 . 1 12 12 VAL H H 1 8.655 0.020 . 1 . . . . . 376 VAL H . . . . . . . . . . . . 50705 1 84 . 1 . 1 12 12 VAL HA H 1 5.282 0.020 . 1 . . . . . 376 VAL HA . . . . . . . . . . . . 50705 1 85 . 1 . 1 12 12 VAL HB H 1 1.765 0.020 . 1 . . . . . 376 VAL HB . . . . . . . . . . . . 50705 1 86 . 1 . 1 12 12 VAL HG11 H 1 0.811 0.020 . 2 . . . . . 376 VAL HG1 . . . . . . . . . . . . 50705 1 87 . 1 . 1 12 12 VAL HG12 H 1 0.811 0.020 . 2 . . . . . 376 VAL HG1 . . . . . . . . . . . . 50705 1 88 . 1 . 1 12 12 VAL HG13 H 1 0.811 0.020 . 2 . . . . . 376 VAL HG1 . . . . . . . . . . . . 50705 1 89 . 1 . 1 12 12 VAL HG21 H 1 0.485 0.020 . 2 . . . . . 376 VAL HG2 . . . . . . . . . . . . 50705 1 90 . 1 . 1 12 12 VAL HG22 H 1 0.485 0.020 . 2 . . . . . 376 VAL HG2 . . . . . . . . . . . . 50705 1 91 . 1 . 1 12 12 VAL HG23 H 1 0.485 0.020 . 2 . . . . . 376 VAL HG2 . . . . . . . . . . . . 50705 1 92 . 1 . 1 12 12 VAL C C 13 172.890 0.3 . 1 . . . . . 376 VAL C . . . . . . . . . . . . 50705 1 93 . 1 . 1 12 12 VAL CA C 13 58.062 0.3 . 1 . . . . . 376 VAL CA . . . . . . . . . . . . 50705 1 94 . 1 . 1 12 12 VAL CB C 13 32.914 0.3 . 1 . . . . . 376 VAL CB . . . . . . . . . . . . 50705 1 95 . 1 . 1 12 12 VAL CG1 C 13 18.391 0.3 . 1 . . . . . 376 VAL CG1 . . . . . . . . . . . . 50705 1 96 . 1 . 1 12 12 VAL CG2 C 13 17.372 0.3 . 1 . . . . . 376 VAL CG2 . . . . . . . . . . . . 50705 1 97 . 1 . 1 12 12 VAL N N 15 118.993 0.3 . 1 . . . . . 376 VAL N . . . . . . . . . . . . 50705 1 98 . 1 . 1 13 13 ASN H H 1 8.024 0.020 . 1 . . . . . 377 ASN H . . . . . . . . . . . . 50705 1 99 . 1 . 1 13 13 ASN HA H 1 5.299 0.020 . 1 . . . . . 377 ASN HA . . . . . . . . . . . . 50705 1 100 . 1 . 1 13 13 ASN HB2 H 1 3.718 0.020 . 2 . . . . . 377 ASN HB2 . . . . . . . . . . . . 50705 1 101 . 1 . 1 13 13 ASN HB3 H 1 2.998 0.020 . 2 . . . . . 377 ASN HB3 . . . . . . . . . . . . 50705 1 102 . 1 . 1 13 13 ASN HD21 H 1 7.594 0.020 . 1 . . . . . 377 ASN HD21 . . . . . . . . . . . . 50705 1 103 . 1 . 1 13 13 ASN HD22 H 1 7.973 0.020 . 1 . . . . . 377 ASN HD22 . . . . . . . . . . . . 50705 1 104 . 1 . 1 13 13 ASN C C 13 174.687 0.3 . 1 . . . . . 377 ASN C . . . . . . . . . . . . 50705 1 105 . 1 . 1 13 13 ASN CA C 13 48.438 0.3 . 1 . . . . . 377 ASN CA . . . . . . . . . . . . 50705 1 106 . 1 . 1 13 13 ASN CB C 13 37.369 0.3 . 1 . . . . . 377 ASN CB . . . . . . . . . . . . 50705 1 107 . 1 . 1 13 13 ASN N N 15 124.333 0.3 . 1 . . . . . 377 ASN N . . . . . . . . . . . . 50705 1 108 . 1 . 1 13 13 ASN ND2 N 15 112.380 0.3 . 1 . . . . . 377 ASN ND2 . . . . . . . . . . . . 50705 1 109 . 1 . 1 14 14 ASN H H 1 8.580 0.020 . 1 . . . . . 378 ASN H . . . . . . . . . . . . 50705 1 110 . 1 . 1 14 14 ASN HA H 1 4.409 0.020 . 1 . . . . . 378 ASN HA . . . . . . . . . . . . 50705 1 111 . 1 . 1 14 14 ASN HB2 H 1 2.599 0.020 . 2 . . . . . 378 ASN HB2 . . . . . . . . . . . . 50705 1 112 . 1 . 1 14 14 ASN HB3 H 1 2.541 0.020 . 2 . . . . . 378 ASN HB3 . . . . . . . . . . . . 50705 1 113 . 1 . 1 14 14 ASN HD21 H 1 6.544 0.020 . 1 . . . . . 378 ASN HD21 . . . . . . . . . . . . 50705 1 114 . 1 . 1 14 14 ASN HD22 H 1 7.331 0.020 . 1 . . . . . 378 ASN HD22 . . . . . . . . . . . . 50705 1 115 . 1 . 1 14 14 ASN C C 13 172.743 0.3 . 1 . . . . . 378 ASN C . . . . . . . . . . . . 50705 1 116 . 1 . 1 14 14 ASN CA C 13 53.529 0.3 . 1 . . . . . 378 ASN CA . . . . . . . . . . . . 50705 1 117 . 1 . 1 14 14 ASN CB C 13 34.992 0.3 . 1 . . . . . 378 ASN CB . . . . . . . . . . . . 50705 1 118 . 1 . 1 14 14 ASN N N 15 115.108 0.3 . 1 . . . . . 378 ASN N . . . . . . . . . . . . 50705 1 119 . 1 . 1 14 14 ASN ND2 N 15 112.211 0.3 . 1 . . . . . 378 ASN ND2 . . . . . . . . . . . . 50705 1 120 . 1 . 1 15 15 TYR H H 1 7.641 0.020 . 1 . . . . . 379 TYR H . . . . . . . . . . . . 50705 1 121 . 1 . 1 15 15 TYR HA H 1 4.587 0.020 . 1 . . . . . 379 TYR HA . . . . . . . . . . . . 50705 1 122 . 1 . 1 15 15 TYR HB2 H 1 3.382 0.020 . 2 . . . . . 379 TYR HB2 . . . . . . . . . . . . 50705 1 123 . 1 . 1 15 15 TYR HB3 H 1 2.852 0.020 . 2 . . . . . 379 TYR HB3 . . . . . . . . . . . . 50705 1 124 . 1 . 1 15 15 TYR HD1 H 1 6.992 0.020 . 1 . . . . . 379 TYR HD1 . . . . . . . . . . . . 50705 1 125 . 1 . 1 15 15 TYR HD2 H 1 6.992 0.020 . 1 . . . . . 379 TYR HD2 . . . . . . . . . . . . 50705 1 126 . 1 . 1 15 15 TYR HE1 H 1 6.745 0.020 . 1 . . . . . 379 TYR HE1 . . . . . . . . . . . . 50705 1 127 . 1 . 1 15 15 TYR HE2 H 1 6.745 0.020 . 1 . . . . . 379 TYR HE2 . . . . . . . . . . . . 50705 1 128 . 1 . 1 15 15 TYR C C 13 173.147 0.3 . 1 . . . . . 379 TYR C . . . . . . . . . . . . 50705 1 129 . 1 . 1 15 15 TYR CA C 13 55.705 0.3 . 1 . . . . . 379 TYR CA . . . . . . . . . . . . 50705 1 130 . 1 . 1 15 15 TYR CB C 13 36.464 0.3 . 1 . . . . . 379 TYR CB . . . . . . . . . . . . 50705 1 131 . 1 . 1 15 15 TYR CD1 C 13 130.211 0.3 . 1 . . . . . 379 TYR CD1 . . . . . . . . . . . . 50705 1 132 . 1 . 1 15 15 TYR CD2 C 13 130.211 0.3 . 1 . . . . . 379 TYR CD2 . . . . . . . . . . . . 50705 1 133 . 1 . 1 15 15 TYR CE1 C 13 115.503 0.3 . 1 . . . . . 379 TYR CE1 . . . . . . . . . . . . 50705 1 134 . 1 . 1 15 15 TYR CE2 C 13 115.503 0.3 . 1 . . . . . 379 TYR CE2 . . . . . . . . . . . . 50705 1 135 . 1 . 1 15 15 TYR N N 15 117.441 0.3 . 1 . . . . . 379 TYR N . . . . . . . . . . . . 50705 1 136 . 1 . 1 16 16 GLY H H 1 8.048 0.020 . 1 . . . . . 380 GLY H . . . . . . . . . . . . 50705 1 137 . 1 . 1 16 16 GLY HA2 H 1 4.270 0.020 . 2 . . . . . 380 GLY HA2 . . . . . . . . . . . . 50705 1 138 . 1 . 1 16 16 GLY HA3 H 1 3.481 0.020 . 2 . . . . . 380 GLY HA3 . . . . . . . . . . . . 50705 1 139 . 1 . 1 16 16 GLY C C 13 170.982 0.3 . 1 . . . . . 380 GLY C . . . . . . . . . . . . 50705 1 140 . 1 . 1 16 16 GLY CA C 13 43.026 0.3 . 1 . . . . . 380 GLY CA . . . . . . . . . . . . 50705 1 141 . 1 . 1 16 16 GLY N N 15 106.821 0.3 . 1 . . . . . 380 GLY N . . . . . . . . . . . . 50705 1 142 . 1 . 1 17 17 THR H H 1 7.832 0.020 . 1 . . . . . 381 THR H . . . . . . . . . . . . 50705 1 143 . 1 . 1 17 17 THR HA H 1 4.087 0.020 . 1 . . . . . 381 THR HA . . . . . . . . . . . . 50705 1 144 . 1 . 1 17 17 THR HB H 1 4.083 0.020 . 1 . . . . . 381 THR HB . . . . . . . . . . . . 50705 1 145 . 1 . 1 17 17 THR HG21 H 1 1.022 0.020 . 1 . . . . . 381 THR HG2 . . . . . . . . . . . . 50705 1 146 . 1 . 1 17 17 THR HG22 H 1 1.022 0.020 . 1 . . . . . 381 THR HG2 . . . . . . . . . . . . 50705 1 147 . 1 . 1 17 17 THR HG23 H 1 1.022 0.020 . 1 . . . . . 381 THR HG2 . . . . . . . . . . . . 50705 1 148 . 1 . 1 17 17 THR C C 13 171.130 0.3 . 1 . . . . . 381 THR C . . . . . . . . . . . . 50705 1 149 . 1 . 1 17 17 THR CA C 13 60.164 0.3 . 1 . . . . . 381 THR CA . . . . . . . . . . . . 50705 1 150 . 1 . 1 17 17 THR CB C 13 67.005 0.3 . 1 . . . . . 381 THR CB . . . . . . . . . . . . 50705 1 151 . 1 . 1 17 17 THR CG2 C 13 21.198 0.3 . 1 . . . . . 381 THR CG2 . . . . . . . . . . . . 50705 1 152 . 1 . 1 17 17 THR N N 15 119.173 0.3 . 1 . . . . . 381 THR N . . . . . . . . . . . . 50705 1 153 . 1 . 1 18 18 TYR H H 1 7.697 0.020 . 1 . . . . . 382 TYR H . . . . . . . . . . . . 50705 1 154 . 1 . 1 18 18 TYR HA H 1 5.787 0.020 . 1 . . . . . 382 TYR HA . . . . . . . . . . . . 50705 1 155 . 1 . 1 18 18 TYR HB2 H 1 2.787 0.020 . 2 . . . . . 382 TYR HB2 . . . . . . . . . . . . 50705 1 156 . 1 . 1 18 18 TYR HB3 H 1 2.330 0.020 . 2 . . . . . 382 TYR HB3 . . . . . . . . . . . . 50705 1 157 . 1 . 1 18 18 TYR HD1 H 1 7.000 0.020 . 1 . . . . . 382 TYR HD1 . . . . . . . . . . . . 50705 1 158 . 1 . 1 18 18 TYR HD2 H 1 7.000 0.020 . 1 . . . . . 382 TYR HD2 . . . . . . . . . . . . 50705 1 159 . 1 . 1 18 18 TYR HE1 H 1 6.912 0.020 . 1 . . . . . 382 TYR HE1 . . . . . . . . . . . . 50705 1 160 . 1 . 1 18 18 TYR HE2 H 1 6.912 0.020 . 1 . . . . . 382 TYR HE2 . . . . . . . . . . . . 50705 1 161 . 1 . 1 18 18 TYR C C 13 173.697 0.3 . 1 . . . . . 382 TYR C . . . . . . . . . . . . 50705 1 162 . 1 . 1 18 18 TYR CA C 13 54.867 0.3 . 1 . . . . . 382 TYR CA . . . . . . . . . . . . 50705 1 163 . 1 . 1 18 18 TYR CB C 13 37.742 0.3 . 1 . . . . . 382 TYR CB . . . . . . . . . . . . 50705 1 164 . 1 . 1 18 18 TYR CD1 C 13 129.766 0.3 . 1 . . . . . 382 TYR CD1 . . . . . . . . . . . . 50705 1 165 . 1 . 1 18 18 TYR CD2 C 13 129.766 0.3 . 1 . . . . . 382 TYR CD2 . . . . . . . . . . . . 50705 1 166 . 1 . 1 18 18 TYR CE1 C 13 115.642 0.3 . 1 . . . . . 382 TYR CE1 . . . . . . . . . . . . 50705 1 167 . 1 . 1 18 18 TYR CE2 C 13 115.642 0.3 . 1 . . . . . 382 TYR CE2 . . . . . . . . . . . . 50705 1 168 . 1 . 1 18 18 TYR N N 15 127.914 0.3 . 1 . . . . . 382 TYR N . . . . . . . . . . . . 50705 1 169 . 1 . 1 19 19 TYR H H 1 9.709 0.020 . 1 . . . . . 383 TYR H . . . . . . . . . . . . 50705 1 170 . 1 . 1 19 19 TYR HA H 1 6.376 0.020 . 1 . . . . . 383 TYR HA . . . . . . . . . . . . 50705 1 171 . 1 . 1 19 19 TYR HB2 H 1 2.994 0.020 . 1 . . . . . 383 TYR HB2 . . . . . . . . . . . . 50705 1 172 . 1 . 1 19 19 TYR HB3 H 1 2.994 0.020 . 1 . . . . . 383 TYR HB3 . . . . . . . . . . . . 50705 1 173 . 1 . 1 19 19 TYR HD1 H 1 7.000 0.020 . 1 . . . . . 383 TYR HD1 . . . . . . . . . . . . 50705 1 174 . 1 . 1 19 19 TYR HD2 H 1 7.000 0.020 . 1 . . . . . 383 TYR HD2 . . . . . . . . . . . . 50705 1 175 . 1 . 1 19 19 TYR HE1 H 1 6.644 0.020 . 1 . . . . . 383 TYR HE1 . . . . . . . . . . . . 50705 1 176 . 1 . 1 19 19 TYR HE2 H 1 6.644 0.020 . 1 . . . . . 383 TYR HE2 . . . . . . . . . . . . 50705 1 177 . 1 . 1 19 19 TYR C C 13 170.432 0.3 . 1 . . . . . 383 TYR C . . . . . . . . . . . . 50705 1 178 . 1 . 1 19 19 TYR CA C 13 54.559 0.3 . 1 . . . . . 383 TYR CA . . . . . . . . . . . . 50705 1 179 . 1 . 1 19 19 TYR CB C 13 41.027 0.3 . 1 . . . . . 383 TYR CB . . . . . . . . . . . . 50705 1 180 . 1 . 1 19 19 TYR CD1 C 13 130.757 0.3 . 1 . . . . . 383 TYR CD1 . . . . . . . . . . . . 50705 1 181 . 1 . 1 19 19 TYR CD2 C 13 130.757 0.3 . 1 . . . . . 383 TYR CD2 . . . . . . . . . . . . 50705 1 182 . 1 . 1 19 19 TYR CE1 C 13 115.127 0.3 . 1 . . . . . 383 TYR CE1 . . . . . . . . . . . . 50705 1 183 . 1 . 1 19 19 TYR CE2 C 13 115.127 0.3 . 1 . . . . . 383 TYR CE2 . . . . . . . . . . . . 50705 1 184 . 1 . 1 19 19 TYR N N 15 120.720 0.3 . 1 . . . . . 383 TYR N . . . . . . . . . . . . 50705 1 185 . 1 . 1 20 20 LYS H H 1 9.108 0.020 . 1 . . . . . 384 LYS H . . . . . . . . . . . . 50705 1 186 . 1 . 1 20 20 LYS HA H 1 4.558 0.020 . 1 . . . . . 384 LYS HA . . . . . . . . . . . . 50705 1 187 . 1 . 1 20 20 LYS HB2 H 1 1.184 0.020 . 2 . . . . . 384 LYS HB2 . . . . . . . . . . . . 50705 1 188 . 1 . 1 20 20 LYS HB3 H 1 1.097 0.020 . 2 . . . . . 384 LYS HB3 . . . . . . . . . . . . 50705 1 189 . 1 . 1 20 20 LYS HG2 H 1 0.522 0.020 . 1 . . . . . 384 LYS HG2 . . . . . . . . . . . . 50705 1 190 . 1 . 1 20 20 LYS HG3 H 1 0.522 0.020 . 1 . . . . . 384 LYS HG3 . . . . . . . . . . . . 50705 1 191 . 1 . 1 20 20 LYS HD2 H 1 0.508 0.020 . 2 . . . . . 384 LYS HD2 . . . . . . . . . . . . 50705 1 192 . 1 . 1 20 20 LYS HD3 H 1 0.235 0.020 . 2 . . . . . 384 LYS HD3 . . . . . . . . . . . . 50705 1 193 . 1 . 1 20 20 LYS HE2 H 1 1.986 0.020 . 1 . . . . . 384 LYS HE2 . . . . . . . . . . . . 50705 1 194 . 1 . 1 20 20 LYS HE3 H 1 1.986 0.020 . 1 . . . . . 384 LYS HE3 . . . . . . . . . . . . 50705 1 195 . 1 . 1 20 20 LYS C C 13 171.569 0.3 . 1 . . . . . 384 LYS C . . . . . . . . . . . . 50705 1 196 . 1 . 1 20 20 LYS CA C 13 53.185 0.3 . 1 . . . . . 384 LYS CA . . . . . . . . . . . . 50705 1 197 . 1 . 1 20 20 LYS CB C 13 33.143 0.3 . 1 . . . . . 384 LYS CB . . . . . . . . . . . . 50705 1 198 . 1 . 1 20 20 LYS CG C 13 21.083 0.3 . 1 . . . . . 384 LYS CG . . . . . . . . . . . . 50705 1 199 . 1 . 1 20 20 LYS CD C 13 26.525 0.3 . 1 . . . . . 384 LYS CD . . . . . . . . . . . . 50705 1 200 . 1 . 1 20 20 LYS CE C 13 39.320 0.3 . 1 . . . . . 384 LYS CE . . . . . . . . . . . . 50705 1 201 . 1 . 1 20 20 LYS N N 15 118.388 0.3 . 1 . . . . . 384 LYS N . . . . . . . . . . . . 50705 1 202 . 1 . 1 21 21 SER H H 1 8.737 0.020 . 1 . . . . . 385 SER H . . . . . . . . . . . . 50705 1 203 . 1 . 1 21 21 SER HA H 1 4.816 0.020 . 1 . . . . . 385 SER HA . . . . . . . . . . . . 50705 1 204 . 1 . 1 21 21 SER HB2 H 1 3.962 0.020 . 2 . . . . . 385 SER HB2 . . . . . . . . . . . . 50705 1 205 . 1 . 1 21 21 SER HB3 H 1 3.778 0.020 . 2 . . . . . 385 SER HB3 . . . . . . . . . . . . 50705 1 206 . 1 . 1 21 21 SER C C 13 172.303 0.3 . 1 . . . . . 385 SER C . . . . . . . . . . . . 50705 1 207 . 1 . 1 21 21 SER CA C 13 57.079 0.3 . 1 . . . . . 385 SER CA . . . . . . . . . . . . 50705 1 208 . 1 . 1 21 21 SER CB C 13 61.033 0.3 . 1 . . . . . 385 SER CB . . . . . . . . . . . . 50705 1 209 . 1 . 1 21 21 SER N N 15 118.232 0.3 . 1 . . . . . 385 SER N . . . . . . . . . . . . 50705 1 210 . 1 . 1 22 22 GLU H H 1 7.829 0.020 . 1 . . . . . 386 GLU H . . . . . . . . . . . . 50705 1 211 . 1 . 1 22 22 GLU HA H 1 4.062 0.020 . 1 . . . . . 386 GLU HA . . . . . . . . . . . . 50705 1 212 . 1 . 1 22 22 GLU HB2 H 1 1.968 0.020 . 2 . . . . . 386 GLU HB2 . . . . . . . . . . . . 50705 1 213 . 1 . 1 22 22 GLU HB3 H 1 1.860 0.020 . 2 . . . . . 386 GLU HB3 . . . . . . . . . . . . 50705 1 214 . 1 . 1 22 22 GLU HG2 H 1 2.089 0.020 . 2 . . . . . 386 GLU HG2 . . . . . . . . . . . . 50705 1 215 . 1 . 1 22 22 GLU HG3 H 1 1.843 0.020 . 2 . . . . . 386 GLU HG3 . . . . . . . . . . . . 50705 1 216 . 1 . 1 22 22 GLU C C 13 168.451 0.3 . 1 . . . . . 386 GLU C . . . . . . . . . . . . 50705 1 217 . 1 . 1 22 22 GLU CA C 13 55.287 0.3 . 1 . . . . . 386 GLU CA . . . . . . . . . . . . 50705 1 218 . 1 . 1 22 22 GLU CB C 13 31.221 0.3 . 1 . . . . . 386 GLU CB . . . . . . . . . . . . 50705 1 219 . 1 . 1 22 22 GLU CG C 13 35.084 0.3 . 1 . . . . . 386 GLU CG . . . . . . . . . . . . 50705 1 220 . 1 . 1 22 22 GLU N N 15 128.693 0.3 . 1 . . . . . 386 GLU N . . . . . . . . . . . . 50705 1 221 . 1 . 1 23 23 SER H H 1 7.922 0.020 . 1 . . . . . 387 SER H . . . . . . . . . . . . 50705 1 222 . 1 . 1 23 23 SER HA H 1 5.169 0.020 . 1 . . . . . 387 SER HA . . . . . . . . . . . . 50705 1 223 . 1 . 1 23 23 SER HB2 H 1 3.643 0.020 . 1 . . . . . 387 SER HB2 . . . . . . . . . . . . 50705 1 224 . 1 . 1 23 23 SER HB3 H 1 3.643 0.020 . 1 . . . . . 387 SER HB3 . . . . . . . . . . . . 50705 1 225 . 1 . 1 23 23 SER C C 13 171.093 0.3 . 1 . . . . . 387 SER C . . . . . . . . . . . . 50705 1 226 . 1 . 1 23 23 SER CA C 13 53.643 0.3 . 1 . . . . . 387 SER CA . . . . . . . . . . . . 50705 1 227 . 1 . 1 23 23 SER CB C 13 62.576 0.3 . 1 . . . . . 387 SER CB . . . . . . . . . . . . 50705 1 228 . 1 . 1 23 23 SER N N 15 116.826 0.3 . 1 . . . . . 387 SER N . . . . . . . . . . . . 50705 1 229 . 1 . 1 24 24 ALA H H 1 6.778 0.020 . 1 . . . . . 388 ALA H . . . . . . . . . . . . 50705 1 230 . 1 . 1 24 24 ALA HA H 1 4.219 0.020 . 1 . . . . . 388 ALA HA . . . . . . . . . . . . 50705 1 231 . 1 . 1 24 24 ALA HB1 H 1 1.296 0.020 . 1 . . . . . 388 ALA HB . . . . . . . . . . . . 50705 1 232 . 1 . 1 24 24 ALA HB2 H 1 1.296 0.020 . 1 . . . . . 388 ALA HB . . . . . . . . . . . . 50705 1 233 . 1 . 1 24 24 ALA HB3 H 1 1.296 0.020 . 1 . . . . . 388 ALA HB . . . . . . . . . . . . 50705 1 234 . 1 . 1 24 24 ALA C C 13 170.469 0.3 . 1 . . . . . 388 ALA C . . . . . . . . . . . . 50705 1 235 . 1 . 1 24 24 ALA CA C 13 49.266 0.3 . 1 . . . . . 388 ALA CA . . . . . . . . . . . . 50705 1 236 . 1 . 1 24 24 ALA CB C 13 17.219 0.3 . 1 . . . . . 388 ALA CB . . . . . . . . . . . . 50705 1 237 . 1 . 1 24 24 ALA N N 15 127.461 0.3 . 1 . . . . . 388 ALA N . . . . . . . . . . . . 50705 1 238 . 1 . 1 25 25 THR H H 1 8.314 0.020 . 1 . . . . . 389 THR H . . . . . . . . . . . . 50705 1 239 . 1 . 1 25 25 THR HA H 1 4.890 0.020 . 1 . . . . . 389 THR HA . . . . . . . . . . . . 50705 1 240 . 1 . 1 25 25 THR HB H 1 3.086 0.020 . 1 . . . . . 389 THR HB . . . . . . . . . . . . 50705 1 241 . 1 . 1 25 25 THR HG21 H 1 0.821 0.020 . 1 . . . . . 389 THR HG2 . . . . . . . . . . . . 50705 1 242 . 1 . 1 25 25 THR HG22 H 1 0.821 0.020 . 1 . . . . . 389 THR HG2 . . . . . . . . . . . . 50705 1 243 . 1 . 1 25 25 THR HG23 H 1 0.821 0.020 . 1 . . . . . 389 THR HG2 . . . . . . . . . . . . 50705 1 244 . 1 . 1 25 25 THR C C 13 168.818 0.3 . 1 . . . . . 389 THR C . . . . . . . . . . . . 50705 1 245 . 1 . 1 25 25 THR CA C 13 59.835 0.3 . 1 . . . . . 389 THR CA . . . . . . . . . . . . 50705 1 246 . 1 . 1 25 25 THR CB C 13 67.941 0.3 . 1 . . . . . 389 THR CB . . . . . . . . . . . . 50705 1 247 . 1 . 1 25 25 THR CG2 C 13 19.655 0.3 . 1 . . . . . 389 THR CG2 . . . . . . . . . . . . 50705 1 248 . 1 . 1 25 25 THR N N 15 114.486 0.3 . 1 . . . . . 389 THR N . . . . . . . . . . . . 50705 1 249 . 1 . 1 26 26 PHE H H 1 9.104 0.020 . 1 . . . . . 390 PHE H . . . . . . . . . . . . 50705 1 250 . 1 . 1 26 26 PHE HA H 1 5.407 0.020 . 1 . . . . . 390 PHE HA . . . . . . . . . . . . 50705 1 251 . 1 . 1 26 26 PHE HB2 H 1 2.795 0.020 . 1 . . . . . 390 PHE HB2 . . . . . . . . . . . . 50705 1 252 . 1 . 1 26 26 PHE HB3 H 1 2.795 0.020 . 1 . . . . . 390 PHE HB3 . . . . . . . . . . . . 50705 1 253 . 1 . 1 26 26 PHE HD1 H 1 6.902 0.020 . 1 . . . . . 390 PHE HD1 . . . . . . . . . . . . 50705 1 254 . 1 . 1 26 26 PHE HD2 H 1 6.902 0.020 . 1 . . . . . 390 PHE HD2 . . . . . . . . . . . . 50705 1 255 . 1 . 1 26 26 PHE HE1 H 1 6.910 0.020 . 1 . . . . . 390 PHE HE1 . . . . . . . . . . . . 50705 1 256 . 1 . 1 26 26 PHE HE2 H 1 6.910 0.020 . 1 . . . . . 390 PHE HE2 . . . . . . . . . . . . 50705 1 257 . 1 . 1 26 26 PHE C C 13 170.432 0.3 . 1 . . . . . 390 PHE C . . . . . . . . . . . . 50705 1 258 . 1 . 1 26 26 PHE CA C 13 53.740 0.3 . 1 . . . . . 390 PHE CA . . . . . . . . . . . . 50705 1 259 . 1 . 1 26 26 PHE CB C 13 41.045 0.3 . 1 . . . . . 390 PHE CB . . . . . . . . . . . . 50705 1 260 . 1 . 1 26 26 PHE CD1 C 13 130.332 0.3 . 1 . . . . . 390 PHE CD1 . . . . . . . . . . . . 50705 1 261 . 1 . 1 26 26 PHE CD2 C 13 130.332 0.3 . 1 . . . . . 390 PHE CD2 . . . . . . . . . . . . 50705 1 262 . 1 . 1 26 26 PHE CE1 C 13 128.958 0.3 . 1 . . . . . 390 PHE CE1 . . . . . . . . . . . . 50705 1 263 . 1 . 1 26 26 PHE CE2 C 13 128.958 0.3 . 1 . . . . . 390 PHE CE2 . . . . . . . . . . . . 50705 1 264 . 1 . 1 26 26 PHE N N 15 125.559 0.3 . 1 . . . . . 390 PHE N . . . . . . . . . . . . 50705 1 265 . 1 . 1 27 27 LYS H H 1 8.781 0.020 . 1 . . . . . 391 LYS H . . . . . . . . . . . . 50705 1 266 . 1 . 1 27 27 LYS HA H 1 4.707 0.020 . 1 . . . . . 391 LYS HA . . . . . . . . . . . . 50705 1 267 . 1 . 1 27 27 LYS HB2 H 1 1.635 0.020 . 2 . . . . . 391 LYS HB2 . . . . . . . . . . . . 50705 1 268 . 1 . 1 27 27 LYS HB3 H 1 1.564 0.020 . 2 . . . . . 391 LYS HB3 . . . . . . . . . . . . 50705 1 269 . 1 . 1 27 27 LYS HG2 H 1 0.891 0.020 . 2 . . . . . 391 LYS HG2 . . . . . . . . . . . . 50705 1 270 . 1 . 1 27 27 LYS HG3 H 1 0.783 0.020 . 2 . . . . . 391 LYS HG3 . . . . . . . . . . . . 50705 1 271 . 1 . 1 27 27 LYS HD2 H 1 0.508 0.020 . 2 . . . . . 391 LYS HD2 . . . . . . . . . . . . 50705 1 272 . 1 . 1 27 27 LYS HD3 H 1 0.228 0.020 . 2 . . . . . 391 LYS HD3 . . . . . . . . . . . . 50705 1 273 . 1 . 1 27 27 LYS HE2 H 1 2.735 0.020 . 1 . . . . . 391 LYS HE2 . . . . . . . . . . . . 50705 1 274 . 1 . 1 27 27 LYS HE3 H 1 2.735 0.020 . 1 . . . . . 391 LYS HE3 . . . . . . . . . . . . 50705 1 275 . 1 . 1 27 27 LYS C C 13 171.753 0.3 . 1 . . . . . 391 LYS C . . . . . . . . . . . . 50705 1 276 . 1 . 1 27 27 LYS CA C 13 51.811 0.3 . 1 . . . . . 391 LYS CA . . . . . . . . . . . . 50705 1 277 . 1 . 1 27 27 LYS CB C 13 33.257 0.3 . 1 . . . . . 391 LYS CB . . . . . . . . . . . . 50705 1 278 . 1 . 1 27 27 LYS CG C 13 22.204 0.3 . 1 . . . . . 391 LYS CG . . . . . . . . . . . . 50705 1 279 . 1 . 1 27 27 LYS CD C 13 27.417 0.3 . 1 . . . . . 391 LYS CD . . . . . . . . . . . . 50705 1 280 . 1 . 1 27 27 LYS CE C 13 39.541 0.3 . 1 . . . . . 391 LYS CE . . . . . . . . . . . . 50705 1 281 . 1 . 1 27 27 LYS N N 15 128.402 0.3 . 1 . . . . . 391 LYS N . . . . . . . . . . . . 50705 1 282 . 1 . 1 28 28 CYS H H 1 8.420 0.020 . 1 . . . . . 392 CYS H . . . . . . . . . . . . 50705 1 283 . 1 . 1 28 28 CYS HA H 1 4.077 0.020 . 1 . . . . . 392 CYS HA . . . . . . . . . . . . 50705 1 284 . 1 . 1 28 28 CYS HB2 H 1 3.397 0.020 . 2 . . . . . 392 CYS HB2 . . . . . . . . . . . . 50705 1 285 . 1 . 1 28 28 CYS HB3 H 1 2.907 0.020 . 2 . . . . . 392 CYS HB3 . . . . . . . . . . . . 50705 1 286 . 1 . 1 28 28 CYS C C 13 173.514 0.3 . 1 . . . . . 392 CYS C . . . . . . . . . . . . 50705 1 287 . 1 . 1 28 28 CYS CA C 13 57.614 0.3 . 1 . . . . . 392 CYS CA . . . . . . . . . . . . 50705 1 288 . 1 . 1 28 28 CYS CB C 13 25.598 0.3 . 1 . . . . . 392 CYS CB . . . . . . . . . . . . 50705 1 289 . 1 . 1 28 28 CYS N N 15 124.644 0.3 . 1 . . . . . 392 CYS N . . . . . . . . . . . . 50705 1 290 . 1 . 1 29 29 THR H H 1 9.091 0.020 . 1 . . . . . 393 THR H . . . . . . . . . . . . 50705 1 291 . 1 . 1 29 29 THR HA H 1 4.616 0.020 . 1 . . . . . 393 THR HA . . . . . . . . . . . . 50705 1 292 . 1 . 1 29 29 THR HB H 1 4.762 0.020 . 1 . . . . . 393 THR HB . . . . . . . . . . . . 50705 1 293 . 1 . 1 29 29 THR HG21 H 1 0.966 0.020 . 1 . . . . . 393 THR HG2 . . . . . . . . . . . . 50705 1 294 . 1 . 1 29 29 THR HG22 H 1 0.966 0.020 . 1 . . . . . 393 THR HG2 . . . . . . . . . . . . 50705 1 295 . 1 . 1 29 29 THR HG23 H 1 0.966 0.020 . 1 . . . . . 393 THR HG2 . . . . . . . . . . . . 50705 1 296 . 1 . 1 29 29 THR C C 13 169.992 0.3 . 1 . . . . . 393 THR C . . . . . . . . . . . . 50705 1 297 . 1 . 1 29 29 THR CA C 13 58.911 0.3 . 1 . . . . . 393 THR CA . . . . . . . . . . . . 50705 1 298 . 1 . 1 29 29 THR CB C 13 66.266 0.3 . 1 . . . . . 393 THR CB . . . . . . . . . . . . 50705 1 299 . 1 . 1 29 29 THR CG2 C 13 19.271 0.3 . 1 . . . . . 393 THR CG2 . . . . . . . . . . . . 50705 1 300 . 1 . 1 29 29 THR N N 15 121.827 0.3 . 1 . . . . . 393 THR N . . . . . . . . . . . . 50705 1 301 . 1 . 1 30 30 ALA H H 1 7.834 0.020 . 1 . . . . . 394 ALA H . . . . . . . . . . . . 50705 1 302 . 1 . 1 30 30 ALA HA H 1 4.635 0.020 . 1 . . . . . 394 ALA HA . . . . . . . . . . . . 50705 1 303 . 1 . 1 30 30 ALA HB1 H 1 1.280 0.020 . 1 . . . . . 394 ALA HB . . . . . . . . . . . . 50705 1 304 . 1 . 1 30 30 ALA HB2 H 1 1.280 0.020 . 1 . . . . . 394 ALA HB . . . . . . . . . . . . 50705 1 305 . 1 . 1 30 30 ALA HB3 H 1 1.280 0.020 . 1 . . . . . 394 ALA HB . . . . . . . . . . . . 50705 1 306 . 1 . 1 30 30 ALA C C 13 175.934 0.3 . 1 . . . . . 394 ALA C . . . . . . . . . . . . 50705 1 307 . 1 . 1 30 30 ALA CA C 13 49.635 0.3 . 1 . . . . . 394 ALA CA . . . . . . . . . . . . 50705 1 308 . 1 . 1 30 30 ALA CB C 13 16.533 0.3 . 1 . . . . . 394 ALA CB . . . . . . . . . . . . 50705 1 309 . 1 . 1 30 30 ALA N N 15 128.707 0.3 . 1 . . . . . 394 ALA N . . . . . . . . . . . . 50705 1 310 . 1 . 1 31 31 ARG H H 1 9.008 0.020 . 1 . . . . . 395 ARG H . . . . . . . . . . . . 50705 1 311 . 1 . 1 31 31 ARG HA H 1 3.796 0.020 . 1 . . . . . 395 ARG HA . . . . . . . . . . . . 50705 1 312 . 1 . 1 31 31 ARG HB2 H 1 1.779 0.020 . 2 . . . . . 395 ARG HB2 . . . . . . . . . . . . 50705 1 313 . 1 . 1 31 31 ARG HB3 H 1 1.687 0.020 . 2 . . . . . 395 ARG HB3 . . . . . . . . . . . . 50705 1 314 . 1 . 1 31 31 ARG HG2 H 1 1.638 0.020 . 2 . . . . . 395 ARG HG2 . . . . . . . . . . . . 50705 1 315 . 1 . 1 31 31 ARG HG3 H 1 1.401 0.020 . 2 . . . . . 395 ARG HG3 . . . . . . . . . . . . 50705 1 316 . 1 . 1 31 31 ARG HD2 H 1 2.840 0.020 . 2 . . . . . 395 ARG HD2 . . . . . . . . . . . . 50705 1 317 . 1 . 1 31 31 ARG HD3 H 1 2.742 0.020 . 2 . . . . . 395 ARG HD3 . . . . . . . . . . . . 50705 1 318 . 1 . 1 31 31 ARG C C 13 175.568 0.3 . 1 . . . . . 395 ARG C . . . . . . . . . . . . 50705 1 319 . 1 . 1 31 31 ARG CA C 13 57.079 0.3 . 1 . . . . . 395 ARG CA . . . . . . . . . . . . 50705 1 320 . 1 . 1 31 31 ARG CB C 13 27.646 0.3 . 1 . . . . . 395 ARG CB . . . . . . . . . . . . 50705 1 321 . 1 . 1 31 31 ARG CG C 13 24.869 0.3 . 1 . . . . . 395 ARG CG . . . . . . . . . . . . 50705 1 322 . 1 . 1 31 31 ARG CD C 13 40.254 0.3 . 1 . . . . . 395 ARG CD . . . . . . . . . . . . 50705 1 323 . 1 . 1 31 31 ARG N N 15 126.821 0.3 . 1 . . . . . 395 ARG N . . . . . . . . . . . . 50705 1 324 . 1 . 1 32 32 GLN H H 1 9.107 0.020 . 1 . . . . . 396 GLN H . . . . . . . . . . . . 50705 1 325 . 1 . 1 32 32 GLN HA H 1 4.445 0.020 . 1 . . . . . 396 GLN HA . . . . . . . . . . . . 50705 1 326 . 1 . 1 32 32 GLN HB2 H 1 2.161 0.020 . 2 . . . . . 396 GLN HB2 . . . . . . . . . . . . 50705 1 327 . 1 . 1 32 32 GLN HB3 H 1 2.056 0.020 . 2 . . . . . 396 GLN HB3 . . . . . . . . . . . . 50705 1 328 . 1 . 1 32 32 GLN HG2 H 1 2.501 0.020 . 2 . . . . . 396 GLN HG2 . . . . . . . . . . . . 50705 1 329 . 1 . 1 32 32 GLN HG3 H 1 2.386 0.020 . 2 . . . . . 396 GLN HG3 . . . . . . . . . . . . 50705 1 330 . 1 . 1 32 32 GLN C C 13 173.587 0.3 . 1 . . . . . 396 GLN C . . . . . . . . . . . . 50705 1 331 . 1 . 1 32 32 GLN CA C 13 53.901 0.3 . 1 . . . . . 396 GLN CA . . . . . . . . . . . . 50705 1 332 . 1 . 1 32 32 GLN CB C 13 26.175 0.3 . 1 . . . . . 396 GLN CB . . . . . . . . . . . . 50705 1 333 . 1 . 1 32 32 GLN CG C 13 31.487 0.3 . 1 . . . . . 396 GLN CG . . . . . . . . . . . . 50705 1 334 . 1 . 1 32 32 GLN N N 15 116.815 0.3 . 1 . . . . . 396 GLN N . . . . . . . . . . . . 50705 1 335 . 1 . 1 33 33 GLY H H 1 7.622 0.020 . 1 . . . . . 397 GLY H . . . . . . . . . . . . 50705 1 336 . 1 . 1 33 33 GLY HA2 H 1 4.062 0.020 . 2 . . . . . 397 GLY HA2 . . . . . . . . . . . . 50705 1 337 . 1 . 1 33 33 GLY HA3 H 1 3.920 0.020 . 2 . . . . . 397 GLY HA3 . . . . . . . . . . . . 50705 1 338 . 1 . 1 33 33 GLY C C 13 168.782 0.3 . 1 . . . . . 397 GLY C . . . . . . . . . . . . 50705 1 339 . 1 . 1 33 33 GLY CA C 13 42.763 0.3 . 1 . . . . . 397 GLY CA . . . . . . . . . . . . 50705 1 340 . 1 . 1 33 33 GLY N N 15 108.745 0.3 . 1 . . . . . 397 GLY N . . . . . . . . . . . . 50705 1 341 . 1 . 1 34 34 ILE H H 1 8.570 0.020 . 1 . . . . . 398 ILE H . . . . . . . . . . . . 50705 1 342 . 1 . 1 34 34 ILE HA H 1 4.156 0.020 . 1 . . . . . 398 ILE HA . . . . . . . . . . . . 50705 1 343 . 1 . 1 34 34 ILE HB H 1 2.081 0.020 . 1 . . . . . 398 ILE HB . . . . . . . . . . . . 50705 1 344 . 1 . 1 34 34 ILE HG12 H 1 1.730 0.020 . 2 . . . . . 398 ILE HG12 . . . . . . . . . . . . 50705 1 345 . 1 . 1 34 34 ILE HG13 H 1 0.873 0.020 . 2 . . . . . 398 ILE HG13 . . . . . . . . . . . . 50705 1 346 . 1 . 1 34 34 ILE HG21 H 1 1.288 0.020 . 1 . . . . . 398 ILE HG2 . . . . . . . . . . . . 50705 1 347 . 1 . 1 34 34 ILE HG22 H 1 1.288 0.020 . 1 . . . . . 398 ILE HG2 . . . . . . . . . . . . 50705 1 348 . 1 . 1 34 34 ILE HG23 H 1 1.288 0.020 . 1 . . . . . 398 ILE HG2 . . . . . . . . . . . . 50705 1 349 . 1 . 1 34 34 ILE HD11 H 1 1.523 0.020 . 1 . . . . . 398 ILE HD1 . . . . . . . . . . . . 50705 1 350 . 1 . 1 34 34 ILE HD12 H 1 1.523 0.020 . 1 . . . . . 398 ILE HD1 . . . . . . . . . . . . 50705 1 351 . 1 . 1 34 34 ILE HD13 H 1 1.523 0.020 . 1 . . . . . 398 ILE HD1 . . . . . . . . . . . . 50705 1 352 . 1 . 1 34 34 ILE C C 13 172.046 0.3 . 1 . . . . . 398 ILE C . . . . . . . . . . . . 50705 1 353 . 1 . 1 34 34 ILE CA C 13 59.450 0.3 . 1 . . . . . 398 ILE CA . . . . . . . . . . . . 50705 1 354 . 1 . 1 34 34 ILE CB C 13 40.057 0.3 . 1 . . . . . 398 ILE CB . . . . . . . . . . . . 50705 1 355 . 1 . 1 34 34 ILE CG1 C 13 25.600 0.3 . 1 . . . . . 398 ILE CG1 . . . . . . . . . . . . 50705 1 356 . 1 . 1 34 34 ILE CG2 C 13 17.536 0.3 . 1 . . . . . 398 ILE CG2 . . . . . . . . . . . . 50705 1 357 . 1 . 1 34 34 ILE CD1 C 13 13.639 0.3 . 1 . . . . . 398 ILE CD1 . . . . . . . . . . . . 50705 1 358 . 1 . 1 34 34 ILE N N 15 118.544 0.3 . 1 . . . . . 398 ILE N . . . . . . . . . . . . 50705 1 359 . 1 . 1 35 35 VAL H H 1 8.226 0.020 . 1 . . . . . 399 VAL H . . . . . . . . . . . . 50705 1 360 . 1 . 1 35 35 VAL HA H 1 4.185 0.020 . 1 . . . . . 399 VAL HA . . . . . . . . . . . . 50705 1 361 . 1 . 1 35 35 VAL HB H 1 1.987 0.020 . 1 . . . . . 399 VAL HB . . . . . . . . . . . . 50705 1 362 . 1 . 1 35 35 VAL HG11 H 1 1.012 0.020 . 2 . . . . . 399 VAL HG1 . . . . . . . . . . . . 50705 1 363 . 1 . 1 35 35 VAL HG12 H 1 1.012 0.020 . 2 . . . . . 399 VAL HG1 . . . . . . . . . . . . 50705 1 364 . 1 . 1 35 35 VAL HG13 H 1 1.012 0.020 . 2 . . . . . 399 VAL HG1 . . . . . . . . . . . . 50705 1 365 . 1 . 1 35 35 VAL HG21 H 1 1.009 0.020 . 2 . . . . . 399 VAL HG2 . . . . . . . . . . . . 50705 1 366 . 1 . 1 35 35 VAL HG22 H 1 1.009 0.020 . 2 . . . . . 399 VAL HG2 . . . . . . . . . . . . 50705 1 367 . 1 . 1 35 35 VAL HG23 H 1 1.009 0.020 . 2 . . . . . 399 VAL HG2 . . . . . . . . . . . . 50705 1 368 . 1 . 1 35 35 VAL C C 13 173.183 0.3 . 1 . . . . . 399 VAL C . . . . . . . . . . . . 50705 1 369 . 1 . 1 35 35 VAL CA C 13 62.484 0.3 . 1 . . . . . 399 VAL CA . . . . . . . . . . . . 50705 1 370 . 1 . 1 35 35 VAL CB C 13 30.280 0.3 . 1 . . . . . 399 VAL CB . . . . . . . . . . . . 50705 1 371 . 1 . 1 35 35 VAL CG1 C 13 20.187 0.3 . 1 . . . . . 399 VAL CG1 . . . . . . . . . . . . 50705 1 372 . 1 . 1 35 35 VAL CG2 C 13 19.205 0.3 . 1 . . . . . 399 VAL CG2 . . . . . . . . . . . . 50705 1 373 . 1 . 1 35 35 VAL N N 15 128.106 0.3 . 1 . . . . . 399 VAL N . . . . . . . . . . . . 50705 1 374 . 1 . 1 36 36 THR H H 1 8.342 0.020 . 1 . . . . . 400 THR H . . . . . . . . . . . . 50705 1 375 . 1 . 1 36 36 THR HA H 1 4.966 0.020 . 1 . . . . . 400 THR HA . . . . . . . . . . . . 50705 1 376 . 1 . 1 36 36 THR HB H 1 3.990 0.020 . 1 . . . . . 400 THR HB . . . . . . . . . . . . 50705 1 377 . 1 . 1 36 36 THR HG21 H 1 1.227 0.020 . 1 . . . . . 400 THR HG2 . . . . . . . . . . . . 50705 1 378 . 1 . 1 36 36 THR HG22 H 1 1.227 0.020 . 1 . . . . . 400 THR HG2 . . . . . . . . . . . . 50705 1 379 . 1 . 1 36 36 THR HG23 H 1 1.227 0.020 . 1 . . . . . 400 THR HG2 . . . . . . . . . . . . 50705 1 380 . 1 . 1 36 36 THR C C 13 172.523 0.3 . 1 . . . . . 400 THR C . . . . . . . . . . . . 50705 1 381 . 1 . 1 36 36 THR CA C 13 57.308 0.3 . 1 . . . . . 400 THR CA . . . . . . . . . . . . 50705 1 382 . 1 . 1 36 36 THR CB C 13 67.844 0.3 . 1 . . . . . 400 THR CB . . . . . . . . . . . . 50705 1 383 . 1 . 1 36 36 THR CG2 C 13 20.574 0.3 . 1 . . . . . 400 THR CG2 . . . . . . . . . . . . 50705 1 384 . 1 . 1 36 36 THR N N 15 119.484 0.3 . 1 . . . . . 400 THR N . . . . . . . . . . . . 50705 1 385 . 1 . 1 37 37 ARG H H 1 9.683 0.020 . 1 . . . . . 401 ARG H . . . . . . . . . . . . 50705 1 386 . 1 . 1 37 37 ARG HA H 1 5.257 0.020 . 1 . . . . . 401 ARG HA . . . . . . . . . . . . 50705 1 387 . 1 . 1 37 37 ARG HB2 H 1 2.196 0.020 . 2 . . . . . 401 ARG HB2 . . . . . . . . . . . . 50705 1 388 . 1 . 1 37 37 ARG HB3 H 1 1.969 0.020 . 2 . . . . . 401 ARG HB3 . . . . . . . . . . . . 50705 1 389 . 1 . 1 37 37 ARG HG2 H 1 2.046 0.020 . 2 . . . . . 401 ARG HG2 . . . . . . . . . . . . 50705 1 390 . 1 . 1 37 37 ARG HG3 H 1 1.636 0.020 . 2 . . . . . 401 ARG HG3 . . . . . . . . . . . . 50705 1 391 . 1 . 1 37 37 ARG HD2 H 1 3.193 0.020 . 2 . . . . . 401 ARG HD2 . . . . . . . . . . . . 50705 1 392 . 1 . 1 37 37 ARG HD3 H 1 3.157 0.020 . 2 . . . . . 401 ARG HD3 . . . . . . . . . . . . 50705 1 393 . 1 . 1 37 37 ARG HE H 1 7.851 0.020 . 1 . . . . . 401 ARG HE . . . . . . . . . . . . 50705 1 394 . 1 . 1 37 37 ARG C C 13 174.174 0.3 . 1 . . . . . 401 ARG C . . . . . . . . . . . . 50705 1 395 . 1 . 1 37 37 ARG CA C 13 52.605 0.3 . 1 . . . . . 401 ARG CA . . . . . . . . . . . . 50705 1 396 . 1 . 1 37 37 ARG CB C 13 31.883 0.3 . 1 . . . . . 401 ARG CB . . . . . . . . . . . . 50705 1 397 . 1 . 1 37 37 ARG CG C 13 25.686 0.3 . 1 . . . . . 401 ARG CG . . . . . . . . . . . . 50705 1 398 . 1 . 1 37 37 ARG CD C 13 42.061 0.3 . 1 . . . . . 401 ARG CD . . . . . . . . . . . . 50705 1 399 . 1 . 1 37 37 ARG N N 15 119.805 0.3 . 1 . . . . . 401 ARG N . . . . . . . . . . . . 50705 1 400 . 1 . 1 37 37 ARG NE N 15 126.357 0.3 . 1 . . . . . 401 ARG NE . . . . . . . . . . . . 50705 1 401 . 1 . 1 38 38 TYR H H 1 8.224 0.020 . 1 . . . . . 402 TYR H . . . . . . . . . . . . 50705 1 402 . 1 . 1 38 38 TYR HA H 1 5.370 0.020 . 1 . . . . . 402 TYR HA . . . . . . . . . . . . 50705 1 403 . 1 . 1 38 38 TYR HB2 H 1 3.535 0.020 . 2 . . . . . 402 TYR HB2 . . . . . . . . . . . . 50705 1 404 . 1 . 1 38 38 TYR HB3 H 1 2.621 0.020 . 2 . . . . . 402 TYR HB3 . . . . . . . . . . . . 50705 1 405 . 1 . 1 38 38 TYR HD1 H 1 7.254 0.020 . 1 . . . . . 402 TYR HD1 . . . . . . . . . . . . 50705 1 406 . 1 . 1 38 38 TYR HD2 H 1 7.254 0.020 . 1 . . . . . 402 TYR HD2 . . . . . . . . . . . . 50705 1 407 . 1 . 1 38 38 TYR HE1 H 1 6.695 0.020 . 1 . . . . . 402 TYR HE1 . . . . . . . . . . . . 50705 1 408 . 1 . 1 38 38 TYR HE2 H 1 6.695 0.020 . 1 . . . . . 402 TYR HE2 . . . . . . . . . . . . 50705 1 409 . 1 . 1 38 38 TYR C C 13 173.807 0.3 . 1 . . . . . 402 TYR C . . . . . . . . . . . . 50705 1 410 . 1 . 1 38 38 TYR CA C 13 54.548 0.3 . 1 . . . . . 402 TYR CA . . . . . . . . . . . . 50705 1 411 . 1 . 1 38 38 TYR CB C 13 39.343 0.3 . 1 . . . . . 402 TYR CB . . . . . . . . . . . . 50705 1 412 . 1 . 1 38 38 TYR CD1 C 13 130.430 0.3 . 1 . . . . . 402 TYR CD1 . . . . . . . . . . . . 50705 1 413 . 1 . 1 38 38 TYR CD2 C 13 130.430 0.3 . 1 . . . . . 402 TYR CD2 . . . . . . . . . . . . 50705 1 414 . 1 . 1 38 38 TYR CE1 C 13 115.928 0.3 . 1 . . . . . 402 TYR CE1 . . . . . . . . . . . . 50705 1 415 . 1 . 1 38 38 TYR CE2 C 13 115.928 0.3 . 1 . . . . . 402 TYR CE2 . . . . . . . . . . . . 50705 1 416 . 1 . 1 38 38 TYR N N 15 118.207 0.3 . 1 . . . . . 402 TYR N . . . . . . . . . . . . 50705 1 417 . 1 . 1 39 39 THR H H 1 9.265 0.020 . 1 . . . . . 403 THR H . . . . . . . . . . . . 50705 1 418 . 1 . 1 39 39 THR HA H 1 3.464 0.020 . 1 . . . . . 403 THR HA . . . . . . . . . . . . 50705 1 419 . 1 . 1 39 39 THR HB H 1 4.856 0.020 . 1 . . . . . 403 THR HB . . . . . . . . . . . . 50705 1 420 . 1 . 1 39 39 THR HG21 H 1 1.058 0.020 . 1 . . . . . 403 THR HG2 . . . . . . . . . . . . 50705 1 421 . 1 . 1 39 39 THR HG22 H 1 1.058 0.020 . 1 . . . . . 403 THR HG2 . . . . . . . . . . . . 50705 1 422 . 1 . 1 39 39 THR HG23 H 1 1.058 0.020 . 1 . . . . . 403 THR HG2 . . . . . . . . . . . . 50705 1 423 . 1 . 1 39 39 THR C C 13 173.803 0.3 . 1 . . . . . 403 THR C . . . . . . . . . . . . 50705 1 424 . 1 . 1 39 39 THR CA C 13 66.928 0.3 . 1 . . . . . 403 THR CA . . . . . . . . . . . . 50705 1 425 . 1 . 1 39 39 THR CB C 13 63.854 0.3 . 1 . . . . . 403 THR CB . . . . . . . . . . . . 50705 1 426 . 1 . 1 39 39 THR CG2 C 13 21.332 0.3 . 1 . . . . . 403 THR CG2 . . . . . . . . . . . . 50705 1 427 . 1 . 1 39 39 THR N N 15 108.529 0.3 . 1 . . . . . 403 THR N . . . . . . . . . . . . 50705 1 428 . 1 . 1 40 40 GLY H H 1 8.771 0.020 . 1 . . . . . 404 GLY H . . . . . . . . . . . . 50705 1 429 . 1 . 1 40 40 GLY HA2 H 1 2.901 0.020 . 2 . . . . . 404 GLY HA2 . . . . . . . . . . . . 50705 1 430 . 1 . 1 40 40 GLY HA3 H 1 1.068 0.020 . 2 . . . . . 404 GLY HA3 . . . . . . . . . . . . 50705 1 431 . 1 . 1 40 40 GLY C C 13 165.370 0.3 . 1 . . . . . 404 GLY C . . . . . . . . . . . . 50705 1 432 . 1 . 1 40 40 GLY CA C 13 42.764 0.3 . 1 . . . . . 404 GLY CA . . . . . . . . . . . . 50705 1 433 . 1 . 1 40 40 GLY N N 15 117.135 0.3 . 1 . . . . . 404 GLY N . . . . . . . . . . . . 50705 1 434 . 1 . 1 41 41 PRO HA H 1 2.100 0.020 . 1 . . . . . 405 PRO HA . . . . . . . . . . . . 50705 1 435 . 1 . 1 41 41 PRO HB2 H 1 1.052 0.020 . 2 . . . . . 405 PRO HB2 . . . . . . . . . . . . 50705 1 436 . 1 . 1 41 41 PRO HB3 H 1 0.454 0.020 . 2 . . . . . 405 PRO HB3 . . . . . . . . . . . . 50705 1 437 . 1 . 1 41 41 PRO HG2 H 1 -0.012 0.020 . 2 . . . . . 405 PRO HG2 . . . . . . . . . . . . 50705 1 438 . 1 . 1 41 41 PRO HG3 H 1 -0.143 0.020 . 2 . . . . . 405 PRO HG3 . . . . . . . . . . . . 50705 1 439 . 1 . 1 41 41 PRO HD2 H 1 2.247 0.020 . 2 . . . . . 405 PRO HD2 . . . . . . . . . . . . 50705 1 440 . 1 . 1 41 41 PRO HD3 H 1 1.090 0.020 . 2 . . . . . 405 PRO HD3 . . . . . . . . . . . . 50705 1 441 . 1 . 1 41 41 PRO CA C 13 57.033 0.3 . 1 . . . . . 405 PRO CA . . . . . . . . . . . . 50705 1 442 . 1 . 1 41 41 PRO CB C 13 24.548 0.3 . 1 . . . . . 405 PRO CB . . . . . . . . . . . . 50705 1 443 . 1 . 1 41 41 PRO CG C 13 24.154 0.3 . 1 . . . . . 405 PRO CG . . . . . . . . . . . . 50705 1 444 . 1 . 1 41 41 PRO CD C 13 45.260 0.3 . 1 . . . . . 405 PRO CD . . . . . . . . . . . . 50705 1 445 . 1 . 1 42 42 PHE H H 1 7.003 0.020 . 1 . . . . . 406 PHE H . . . . . . . . . . . . 50705 1 446 . 1 . 1 42 42 PHE HA H 1 4.973 0.020 . 1 . . . . . 406 PHE HA . . . . . . . . . . . . 50705 1 447 . 1 . 1 42 42 PHE HB2 H 1 3.146 0.020 . 2 . . . . . 406 PHE HB2 . . . . . . . . . . . . 50705 1 448 . 1 . 1 42 42 PHE HB3 H 1 2.924 0.020 . 2 . . . . . 406 PHE HB3 . . . . . . . . . . . . 50705 1 449 . 1 . 1 42 42 PHE HD1 H 1 6.758 0.020 . 1 . . . . . 406 PHE HD1 . . . . . . . . . . . . 50705 1 450 . 1 . 1 42 42 PHE HD2 H 1 6.758 0.020 . 1 . . . . . 406 PHE HD2 . . . . . . . . . . . . 50705 1 451 . 1 . 1 42 42 PHE HE1 H 1 6.800 0.020 . 1 . . . . . 406 PHE HE1 . . . . . . . . . . . . 50705 1 452 . 1 . 1 42 42 PHE HE2 H 1 6.800 0.020 . 1 . . . . . 406 PHE HE2 . . . . . . . . . . . . 50705 1 453 . 1 . 1 42 42 PHE C C 13 175.568 0.3 . 1 . . . . . 406 PHE C . . . . . . . . . . . . 50705 1 454 . 1 . 1 42 42 PHE CA C 13 53.758 0.3 . 1 . . . . . 406 PHE CA . . . . . . . . . . . . 50705 1 455 . 1 . 1 42 42 PHE CB C 13 40.432 0.3 . 1 . . . . . 406 PHE CB . . . . . . . . . . . . 50705 1 456 . 1 . 1 42 42 PHE CD1 C 13 128.866 0.3 . 1 . . . . . 406 PHE CD1 . . . . . . . . . . . . 50705 1 457 . 1 . 1 42 42 PHE CD2 C 13 128.866 0.3 . 1 . . . . . 406 PHE CD2 . . . . . . . . . . . . 50705 1 458 . 1 . 1 42 42 PHE CE1 C 13 130.316 0.3 . 1 . . . . . 406 PHE CE1 . . . . . . . . . . . . 50705 1 459 . 1 . 1 42 42 PHE CE2 C 13 130.316 0.3 . 1 . . . . . 406 PHE CE2 . . . . . . . . . . . . 50705 1 460 . 1 . 1 42 42 PHE N N 15 110.998 0.3 . 1 . . . . . 406 PHE N . . . . . . . . . . . . 50705 1 461 . 1 . 1 43 43 THR H H 1 10.488 0.020 . 1 . . . . . 407 THR H . . . . . . . . . . . . 50705 1 462 . 1 . 1 43 43 THR HA H 1 4.236 0.020 . 1 . . . . . 407 THR HA . . . . . . . . . . . . 50705 1 463 . 1 . 1 43 43 THR HB H 1 4.611 0.020 . 1 . . . . . 407 THR HB . . . . . . . . . . . . 50705 1 464 . 1 . 1 43 43 THR HG21 H 1 1.779 0.020 . 1 . . . . . 407 THR HG2 . . . . . . . . . . . . 50705 1 465 . 1 . 1 43 43 THR HG22 H 1 1.779 0.020 . 1 . . . . . 407 THR HG2 . . . . . . . . . . . . 50705 1 466 . 1 . 1 43 43 THR HG23 H 1 1.779 0.020 . 1 . . . . . 407 THR HG2 . . . . . . . . . . . . 50705 1 467 . 1 . 1 43 43 THR C C 13 171.863 0.3 . 1 . . . . . 407 THR C . . . . . . . . . . . . 50705 1 468 . 1 . 1 43 43 THR CA C 13 62.933 0.3 . 1 . . . . . 407 THR CA . . . . . . . . . . . . 50705 1 469 . 1 . 1 43 43 THR CB C 13 66.965 0.3 . 1 . . . . . 407 THR CB . . . . . . . . . . . . 50705 1 470 . 1 . 1 43 43 THR CG2 C 13 20.643 0.3 . 1 . . . . . 407 THR CG2 . . . . . . . . . . . . 50705 1 471 . 1 . 1 43 43 THR N N 15 114.487 0.3 . 1 . . . . . 407 THR N . . . . . . . . . . . . 50705 1 472 . 1 . 1 44 44 THR H H 1 7.173 0.020 . 1 . . . . . 408 THR H . . . . . . . . . . . . 50705 1 473 . 1 . 1 44 44 THR HA H 1 4.344 0.020 . 1 . . . . . 408 THR HA . . . . . . . . . . . . 50705 1 474 . 1 . 1 44 44 THR HB H 1 4.449 0.020 . 1 . . . . . 408 THR HB . . . . . . . . . . . . 50705 1 475 . 1 . 1 44 44 THR HG21 H 1 1.298 0.020 . 1 . . . . . 408 THR HG2 . . . . . . . . . . . . 50705 1 476 . 1 . 1 44 44 THR HG22 H 1 1.298 0.020 . 1 . . . . . 408 THR HG2 . . . . . . . . . . . . 50705 1 477 . 1 . 1 44 44 THR HG23 H 1 1.298 0.020 . 1 . . . . . 408 THR HG2 . . . . . . . . . . . . 50705 1 478 . 1 . 1 44 44 THR C C 13 173.477 0.3 . 1 . . . . . 408 THR C . . . . . . . . . . . . 50705 1 479 . 1 . 1 44 44 THR CA C 13 58.911 0.3 . 1 . . . . . 408 THR CA . . . . . . . . . . . . 50705 1 480 . 1 . 1 44 44 THR CB C 13 67.009 0.3 . 1 . . . . . 408 THR CB . . . . . . . . . . . . 50705 1 481 . 1 . 1 44 44 THR CG2 C 13 20.187 0.3 . 1 . . . . . 408 THR CG2 . . . . . . . . . . . . 50705 1 482 . 1 . 1 44 44 THR N N 15 105.666 0.3 . 1 . . . . . 408 THR N . . . . . . . . . . . . 50705 1 483 . 1 . 1 45 45 CYS H H 1 7.556 0.020 . 1 . . . . . 409 CYS H . . . . . . . . . . . . 50705 1 484 . 1 . 1 45 45 CYS HA H 1 4.419 0.020 . 1 . . . . . 409 CYS HA . . . . . . . . . . . . 50705 1 485 . 1 . 1 45 45 CYS HB2 H 1 4.015 0.020 . 2 . . . . . 409 CYS HB2 . . . . . . . . . . . . 50705 1 486 . 1 . 1 45 45 CYS HB3 H 1 3.137 0.020 . 2 . . . . . 409 CYS HB3 . . . . . . . . . . . . 50705 1 487 . 1 . 1 45 45 CYS C C 13 168.818 0.3 . 1 . . . . . 409 CYS C . . . . . . . . . . . . 50705 1 488 . 1 . 1 45 45 CYS CA C 13 58.060 0.3 . 1 . . . . . 409 CYS CA . . . . . . . . . . . . 50705 1 489 . 1 . 1 45 45 CYS CB C 13 23.866 0.3 . 1 . . . . . 409 CYS CB . . . . . . . . . . . . 50705 1 490 . 1 . 1 45 45 CYS N N 15 122.380 0.3 . 1 . . . . . 409 CYS N . . . . . . . . . . . . 50705 1 491 . 1 . 1 46 46 PRO HA H 1 4.454 0.020 . 1 . . . . . 410 PRO HA . . . . . . . . . . . . 50705 1 492 . 1 . 1 46 46 PRO HB2 H 1 2.526 0.020 . 2 . . . . . 410 PRO HB2 . . . . . . . . . . . . 50705 1 493 . 1 . 1 46 46 PRO HB3 H 1 2.019 0.020 . 2 . . . . . 410 PRO HB3 . . . . . . . . . . . . 50705 1 494 . 1 . 1 46 46 PRO HG2 H 1 2.208 0.020 . 2 . . . . . 410 PRO HG2 . . . . . . . . . . . . 50705 1 495 . 1 . 1 46 46 PRO HG3 H 1 2.096 0.020 . 2 . . . . . 410 PRO HG3 . . . . . . . . . . . . 50705 1 496 . 1 . 1 46 46 PRO HD2 H 1 3.868 0.020 . 2 . . . . . 410 PRO HD2 . . . . . . . . . . . . 50705 1 497 . 1 . 1 46 46 PRO HD3 H 1 3.542 0.020 . 2 . . . . . 410 PRO HD3 . . . . . . . . . . . . 50705 1 498 . 1 . 1 46 46 PRO CA C 13 61.189 0.3 . 1 . . . . . 410 PRO CA . . . . . . . . . . . . 50705 1 499 . 1 . 1 46 46 PRO CB C 13 30.682 0.3 . 1 . . . . . 410 PRO CB . . . . . . . . . . . . 50705 1 500 . 1 . 1 46 46 PRO CG C 13 25.868 0.3 . 1 . . . . . 410 PRO CG . . . . . . . . . . . . 50705 1 501 . 1 . 1 46 46 PRO CD C 13 48.500 0.3 . 1 . . . . . 410 PRO CD . . . . . . . . . . . . 50705 1 502 . 1 . 1 47 47 GLN H H 1 8.714 0.020 . 1 . . . . . 411 GLN H . . . . . . . . . . . . 50705 1 503 . 1 . 1 47 47 GLN HA H 1 4.445 0.020 . 1 . . . . . 411 GLN HA . . . . . . . . . . . . 50705 1 504 . 1 . 1 47 47 GLN HB2 H 1 2.056 0.020 . 1 . . . . . 411 GLN HB2 . . . . . . . . . . . . 50705 1 505 . 1 . 1 47 47 GLN HB3 H 1 2.056 0.020 . 1 . . . . . 411 GLN HB3 . . . . . . . . . . . . 50705 1 506 . 1 . 1 47 47 GLN HG2 H 1 2.729 0.020 . 2 . . . . . 411 GLN HG2 . . . . . . . . . . . . 50705 1 507 . 1 . 1 47 47 GLN HG3 H 1 2.269 0.020 . 2 . . . . . 411 GLN HG3 . . . . . . . . . . . . 50705 1 508 . 1 . 1 47 47 GLN HE21 H 1 7.090 0.020 . 1 . . . . . 411 GLN HE21 . . . . . . . . . . . . 50705 1 509 . 1 . 1 47 47 GLN HE22 H 1 7.036 0.020 . 1 . . . . . 411 GLN HE22 . . . . . . . . . . . . 50705 1 510 . 1 . 1 47 47 GLN C C 13 172.780 0.3 . 1 . . . . . 411 GLN C . . . . . . . . . . . . 50705 1 511 . 1 . 1 47 47 GLN CA C 13 54.534 0.3 . 1 . . . . . 411 GLN CA . . . . . . . . . . . . 50705 1 512 . 1 . 1 47 47 GLN CB C 13 26.176 0.3 . 1 . . . . . 411 GLN CB . . . . . . . . . . . . 50705 1 513 . 1 . 1 47 47 GLN CG C 13 31.953 0.3 . 1 . . . . . 411 GLN CG . . . . . . . . . . . . 50705 1 514 . 1 . 1 47 47 GLN N N 15 121.519 0.3 . 1 . . . . . 411 GLN N . . . . . . . . . . . . 50705 1 515 . 1 . 1 47 47 GLN NE2 N 15 111.097 0.3 . 1 . . . . . 411 GLN NE2 . . . . . . . . . . . . 50705 1 516 . 1 . 1 48 48 ALA H H 1 9.151 0.020 . 1 . . . . . 412 ALA H . . . . . . . . . . . . 50705 1 517 . 1 . 1 48 48 ALA HA H 1 4.093 0.020 . 1 . . . . . 412 ALA HA . . . . . . . . . . . . 50705 1 518 . 1 . 1 48 48 ALA HB1 H 1 0.239 0.020 . 1 . . . . . 412 ALA HB . . . . . . . . . . . . 50705 1 519 . 1 . 1 48 48 ALA HB2 H 1 0.239 0.020 . 1 . . . . . 412 ALA HB . . . . . . . . . . . . 50705 1 520 . 1 . 1 48 48 ALA HB3 H 1 0.239 0.020 . 1 . . . . . 412 ALA HB . . . . . . . . . . . . 50705 1 521 . 1 . 1 48 48 ALA C C 13 174.944 0.3 . 1 . . . . . 412 ALA C . . . . . . . . . . . . 50705 1 522 . 1 . 1 48 48 ALA CA C 13 50.869 0.3 . 1 . . . . . 412 ALA CA . . . . . . . . . . . . 50705 1 523 . 1 . 1 48 48 ALA CB C 13 15.645 0.3 . 1 . . . . . 412 ALA CB . . . . . . . . . . . . 50705 1 524 . 1 . 1 48 48 ALA N N 15 130.267 0.3 . 1 . . . . . 412 ALA N . . . . . . . . . . . . 50705 1 525 . 1 . 1 49 49 GLY H H 1 7.254 0.020 . 1 . . . . . 413 GLY H . . . . . . . . . . . . 50705 1 526 . 1 . 1 49 49 GLY HA2 H 1 4.035 0.020 . 1 . . . . . 413 GLY HA2 . . . . . . . . . . . . 50705 1 527 . 1 . 1 49 49 GLY HA3 H 1 4.035 0.020 . 1 . . . . . 413 GLY HA3 . . . . . . . . . . . . 50705 1 528 . 1 . 1 49 49 GLY C C 13 169.369 0.3 . 1 . . . . . 413 GLY C . . . . . . . . . . . . 50705 1 529 . 1 . 1 49 49 GLY CA C 13 43.425 0.3 . 1 . . . . . 413 GLY CA . . . . . . . . . . . . 50705 1 530 . 1 . 1 49 49 GLY N N 15 108.551 0.3 . 1 . . . . . 413 GLY N . . . . . . . . . . . . 50705 1 531 . 1 . 1 50 50 VAL H H 1 8.059 0.020 . 1 . . . . . 414 VAL H . . . . . . . . . . . . 50705 1 532 . 1 . 1 50 50 VAL HA H 1 4.666 0.020 . 1 . . . . . 414 VAL HA . . . . . . . . . . . . 50705 1 533 . 1 . 1 50 50 VAL HB H 1 1.461 0.020 . 1 . . . . . 414 VAL HB . . . . . . . . . . . . 50705 1 534 . 1 . 1 50 50 VAL HG11 H 1 0.772 0.020 . 2 . . . . . 414 VAL HG1 . . . . . . . . . . . . 50705 1 535 . 1 . 1 50 50 VAL HG12 H 1 0.772 0.020 . 2 . . . . . 414 VAL HG1 . . . . . . . . . . . . 50705 1 536 . 1 . 1 50 50 VAL HG13 H 1 0.772 0.020 . 2 . . . . . 414 VAL HG1 . . . . . . . . . . . . 50705 1 537 . 1 . 1 50 50 VAL HG21 H 1 0.227 0.020 . 2 . . . . . 414 VAL HG2 . . . . . . . . . . . . 50705 1 538 . 1 . 1 50 50 VAL HG22 H 1 0.227 0.020 . 2 . . . . . 414 VAL HG2 . . . . . . . . . . . . 50705 1 539 . 1 . 1 50 50 VAL HG23 H 1 0.227 0.020 . 2 . . . . . 414 VAL HG2 . . . . . . . . . . . . 50705 1 540 . 1 . 1 50 50 VAL C C 13 171.166 0.3 . 1 . . . . . 414 VAL C . . . . . . . . . . . . 50705 1 541 . 1 . 1 50 50 VAL CA C 13 59.008 0.3 . 1 . . . . . 414 VAL CA . . . . . . . . . . . . 50705 1 542 . 1 . 1 50 50 VAL CB C 13 34.517 0.3 . 1 . . . . . 414 VAL CB . . . . . . . . . . . . 50705 1 543 . 1 . 1 50 50 VAL CG1 C 13 19.900 0.3 . 1 . . . . . 414 VAL CG1 . . . . . . . . . . . . 50705 1 544 . 1 . 1 50 50 VAL CG2 C 13 18.640 0.3 . 1 . . . . . 414 VAL CG2 . . . . . . . . . . . . 50705 1 545 . 1 . 1 50 50 VAL N N 15 122.142 0.3 . 1 . . . . . 414 VAL N . . . . . . . . . . . . 50705 1 546 . 1 . 1 51 51 LEU H H 1 9.213 0.020 . 1 . . . . . 415 LEU H . . . . . . . . . . . . 50705 1 547 . 1 . 1 51 51 LEU HA H 1 4.588 0.020 . 1 . . . . . 415 LEU HA . . . . . . . . . . . . 50705 1 548 . 1 . 1 51 51 LEU HB2 H 1 2.263 0.020 . 2 . . . . . 415 LEU HB2 . . . . . . . . . . . . 50705 1 549 . 1 . 1 51 51 LEU HB3 H 1 1.291 0.020 . 2 . . . . . 415 LEU HB3 . . . . . . . . . . . . 50705 1 550 . 1 . 1 51 51 LEU HG H 1 1.008 0.020 . 1 . . . . . 415 LEU HG . . . . . . . . . . . . 50705 1 551 . 1 . 1 51 51 LEU HD11 H 1 0.886 0.020 . 1 . . . . . 415 LEU HD1 . . . . . . . . . . . . 50705 1 552 . 1 . 1 51 51 LEU HD12 H 1 0.886 0.020 . 1 . . . . . 415 LEU HD1 . . . . . . . . . . . . 50705 1 553 . 1 . 1 51 51 LEU HD13 H 1 0.886 0.020 . 1 . . . . . 415 LEU HD1 . . . . . . . . . . . . 50705 1 554 . 1 . 1 51 51 LEU HD21 H 1 0.886 0.020 . 1 . . . . . 415 LEU HD2 . . . . . . . . . . . . 50705 1 555 . 1 . 1 51 51 LEU HD22 H 1 0.886 0.020 . 1 . . . . . 415 LEU HD2 . . . . . . . . . . . . 50705 1 556 . 1 . 1 51 51 LEU HD23 H 1 0.886 0.020 . 1 . . . . . 415 LEU HD2 . . . . . . . . . . . . 50705 1 557 . 1 . 1 51 51 LEU C C 13 172.670 0.3 . 1 . . . . . 415 LEU C . . . . . . . . . . . . 50705 1 558 . 1 . 1 51 51 LEU CA C 13 51.803 0.3 . 1 . . . . . 415 LEU CA . . . . . . . . . . . . 50705 1 559 . 1 . 1 51 51 LEU CB C 13 41.954 0.3 . 1 . . . . . 415 LEU CB . . . . . . . . . . . . 50705 1 560 . 1 . 1 51 51 LEU CG C 13 25.850 0.3 . 1 . . . . . 415 LEU CG . . . . . . . . . . . . 50705 1 561 . 1 . 1 51 51 LEU CD1 C 13 23.254 0.3 . 1 . . . . . 415 LEU CD1 . . . . . . . . . . . . 50705 1 562 . 1 . 1 51 51 LEU N N 15 130.102 0.3 . 1 . . . . . 415 LEU N . . . . . . . . . . . . 50705 1 563 . 1 . 1 52 52 TYR H H 1 8.218 0.020 . 1 . . . . . 416 TYR H . . . . . . . . . . . . 50705 1 564 . 1 . 1 52 52 TYR HA H 1 4.532 0.020 . 1 . . . . . 416 TYR HA . . . . . . . . . . . . 50705 1 565 . 1 . 1 52 52 TYR HB2 H 1 3.259 0.020 . 2 . . . . . 416 TYR HB2 . . . . . . . . . . . . 50705 1 566 . 1 . 1 52 52 TYR HB3 H 1 2.585 0.020 . 2 . . . . . 416 TYR HB3 . . . . . . . . . . . . 50705 1 567 . 1 . 1 52 52 TYR HD1 H 1 7.269 0.020 . 1 . . . . . 416 TYR HD1 . . . . . . . . . . . . 50705 1 568 . 1 . 1 52 52 TYR HD2 H 1 7.269 0.020 . 1 . . . . . 416 TYR HD2 . . . . . . . . . . . . 50705 1 569 . 1 . 1 52 52 TYR HE1 H 1 6.821 0.020 . 1 . . . . . 416 TYR HE1 . . . . . . . . . . . . 50705 1 570 . 1 . 1 52 52 TYR HE2 H 1 6.821 0.020 . 1 . . . . . 416 TYR HE2 . . . . . . . . . . . . 50705 1 571 . 1 . 1 52 52 TYR C C 13 172.766 0.3 . 1 . . . . . 416 TYR C . . . . . . . . . . . . 50705 1 572 . 1 . 1 52 52 TYR CA C 13 56.639 0.3 . 1 . . . . . 416 TYR CA . . . . . . . . . . . . 50705 1 573 . 1 . 1 52 52 TYR CB C 13 37.353 0.3 . 1 . . . . . 416 TYR CB . . . . . . . . . . . . 50705 1 574 . 1 . 1 52 52 TYR CD1 C 13 130.121 0.3 . 1 . . . . . 416 TYR CD1 . . . . . . . . . . . . 50705 1 575 . 1 . 1 52 52 TYR CD2 C 13 130.121 0.3 . 1 . . . . . 416 TYR CD2 . . . . . . . . . . . . 50705 1 576 . 1 . 1 52 52 TYR CE1 C 13 115.272 0.3 . 1 . . . . . 416 TYR CE1 . . . . . . . . . . . . 50705 1 577 . 1 . 1 52 52 TYR CE2 C 13 115.272 0.3 . 1 . . . . . 416 TYR CE2 . . . . . . . . . . . . 50705 1 578 . 1 . 1 52 52 TYR N N 15 124.174 0.3 . 1 . . . . . 416 TYR N . . . . . . . . . . . . 50705 1 579 . 1 . 1 53 53 TYR H H 1 8.958 0.020 . 1 . . . . . 417 TYR H . . . . . . . . . . . . 50705 1 580 . 1 . 1 53 53 TYR HA H 1 3.747 0.020 . 1 . . . . . 417 TYR HA . . . . . . . . . . . . 50705 1 581 . 1 . 1 53 53 TYR HB2 H 1 3.357 0.020 . 2 . . . . . 417 TYR HB2 . . . . . . . . . . . . 50705 1 582 . 1 . 1 53 53 TYR HB3 H 1 2.821 0.020 . 2 . . . . . 417 TYR HB3 . . . . . . . . . . . . 50705 1 583 . 1 . 1 53 53 TYR HD1 H 1 6.745 0.020 . 1 . . . . . 417 TYR HD1 . . . . . . . . . . . . 50705 1 584 . 1 . 1 53 53 TYR HD2 H 1 6.745 0.020 . 1 . . . . . 417 TYR HD2 . . . . . . . . . . . . 50705 1 585 . 1 . 1 53 53 TYR HE1 H 1 6.793 0.020 . 1 . . . . . 417 TYR HE1 . . . . . . . . . . . . 50705 1 586 . 1 . 1 53 53 TYR HE2 H 1 6.793 0.020 . 1 . . . . . 417 TYR HE2 . . . . . . . . . . . . 50705 1 587 . 1 . 1 53 53 TYR C C 13 174.284 0.3 . 1 . . . . . 417 TYR C . . . . . . . . . . . . 50705 1 588 . 1 . 1 53 53 TYR CA C 13 59.140 0.3 . 1 . . . . . 417 TYR CA . . . . . . . . . . . . 50705 1 589 . 1 . 1 53 53 TYR CB C 13 36.350 0.3 . 1 . . . . . 417 TYR CB . . . . . . . . . . . . 50705 1 590 . 1 . 1 53 53 TYR CD1 C 13 129.701 0.3 . 1 . . . . . 417 TYR CD1 . . . . . . . . . . . . 50705 1 591 . 1 . 1 53 53 TYR CD2 C 13 129.701 0.3 . 1 . . . . . 417 TYR CD2 . . . . . . . . . . . . 50705 1 592 . 1 . 1 53 53 TYR CE1 C 13 114.673 0.3 . 1 . . . . . 417 TYR CE1 . . . . . . . . . . . . 50705 1 593 . 1 . 1 53 53 TYR CE2 C 13 114.673 0.3 . 1 . . . . . 417 TYR CE2 . . . . . . . . . . . . 50705 1 594 . 1 . 1 53 53 TYR N N 15 119.482 0.3 . 1 . . . . . 417 TYR N . . . . . . . . . . . . 50705 1 595 . 1 . 1 54 54 GLY H H 1 8.378 0.020 . 1 . . . . . 418 GLY H . . . . . . . . . . . . 50705 1 596 . 1 . 1 54 54 GLY HA2 H 1 4.031 0.020 . 2 . . . . . 418 GLY HA2 . . . . . . . . . . . . 50705 1 597 . 1 . 1 54 54 GLY HA3 H 1 3.165 0.020 . 2 . . . . . 418 GLY HA3 . . . . . . . . . . . . 50705 1 598 . 1 . 1 54 54 GLY C C 13 171.166 0.3 . 1 . . . . . 418 GLY C . . . . . . . . . . . . 50705 1 599 . 1 . 1 54 54 GLY CA C 13 42.849 0.3 . 1 . . . . . 418 GLY CA . . . . . . . . . . . . 50705 1 600 . 1 . 1 54 54 GLY N N 15 115.736 0.3 . 1 . . . . . 418 GLY N . . . . . . . . . . . . 50705 1 601 . 1 . 1 55 55 GLN H H 1 8.227 0.020 . 1 . . . . . 419 GLN H . . . . . . . . . . . . 50705 1 602 . 1 . 1 55 55 GLN HA H 1 4.463 0.020 . 1 . . . . . 419 GLN HA . . . . . . . . . . . . 50705 1 603 . 1 . 1 55 55 GLN HB2 H 1 2.499 0.020 . 2 . . . . . 419 GLN HB2 . . . . . . . . . . . . 50705 1 604 . 1 . 1 55 55 GLN HB3 H 1 2.114 0.020 . 2 . . . . . 419 GLN HB3 . . . . . . . . . . . . 50705 1 605 . 1 . 1 55 55 GLN HG2 H 1 2.364 0.020 . 1 . . . . . 419 GLN HG2 . . . . . . . . . . . . 50705 1 606 . 1 . 1 55 55 GLN HG3 H 1 2.364 0.020 . 1 . . . . . 419 GLN HG3 . . . . . . . . . . . . 50705 1 607 . 1 . 1 55 55 GLN HE21 H 1 7.723 0.020 . 1 . . . . . 419 GLN HE21 . . . . . . . . . . . . 50705 1 608 . 1 . 1 55 55 GLN HE22 H 1 6.994 0.020 . 1 . . . . . 419 GLN HE22 . . . . . . . . . . . . 50705 1 609 . 1 . 1 55 55 GLN C C 13 171.936 0.3 . 1 . . . . . 419 GLN C . . . . . . . . . . . . 50705 1 610 . 1 . 1 55 55 GLN CA C 13 54.138 0.3 . 1 . . . . . 419 GLN CA . . . . . . . . . . . . 50705 1 611 . 1 . 1 55 55 GLN CB C 13 27.971 0.3 . 1 . . . . . 419 GLN CB . . . . . . . . . . . . 50705 1 612 . 1 . 1 55 55 GLN CG C 13 33.138 0.3 . 1 . . . . . 419 GLN CG . . . . . . . . . . . . 50705 1 613 . 1 . 1 55 55 GLN N N 15 120.440 0.3 . 1 . . . . . 419 GLN N . . . . . . . . . . . . 50705 1 614 . 1 . 1 55 55 GLN NE2 N 15 112.380 0.3 . 1 . . . . . 419 GLN NE2 . . . . . . . . . . . . 50705 1 615 . 1 . 1 56 56 SER H H 1 8.425 0.020 . 1 . . . . . 420 SER H . . . . . . . . . . . . 50705 1 616 . 1 . 1 56 56 SER HA H 1 6.113 0.020 . 1 . . . . . 420 SER HA . . . . . . . . . . . . 50705 1 617 . 1 . 1 56 56 SER HB2 H 1 3.591 0.020 . 2 . . . . . 420 SER HB2 . . . . . . . . . . . . 50705 1 618 . 1 . 1 56 56 SER HB3 H 1 3.457 0.020 . 2 . . . . . 420 SER HB3 . . . . . . . . . . . . 50705 1 619 . 1 . 1 56 56 SER C C 13 170.909 0.3 . 1 . . . . . 420 SER C . . . . . . . . . . . . 50705 1 620 . 1 . 1 56 56 SER CA C 13 54.321 0.3 . 1 . . . . . 420 SER CA . . . . . . . . . . . . 50705 1 621 . 1 . 1 56 56 SER CB C 13 65.185 0.3 . 1 . . . . . 420 SER CB . . . . . . . . . . . . 50705 1 622 . 1 . 1 56 56 SER N N 15 114.634 0.3 . 1 . . . . . 420 SER N . . . . . . . . . . . . 50705 1 623 . 1 . 1 57 57 VAL H H 1 8.947 0.020 . 1 . . . . . 421 VAL H . . . . . . . . . . . . 50705 1 624 . 1 . 1 57 57 VAL HA H 1 4.261 0.020 . 1 . . . . . 421 VAL HA . . . . . . . . . . . . 50705 1 625 . 1 . 1 57 57 VAL HB H 1 1.124 0.020 . 1 . . . . . 421 VAL HB . . . . . . . . . . . . 50705 1 626 . 1 . 1 57 57 VAL HG11 H 1 0.292 0.020 . 2 . . . . . 421 VAL HG1 . . . . . . . . . . . . 50705 1 627 . 1 . 1 57 57 VAL HG12 H 1 0.292 0.020 . 2 . . . . . 421 VAL HG1 . . . . . . . . . . . . 50705 1 628 . 1 . 1 57 57 VAL HG13 H 1 0.292 0.020 . 2 . . . . . 421 VAL HG1 . . . . . . . . . . . . 50705 1 629 . 1 . 1 57 57 VAL HG21 H 1 -0.168 0.020 . 2 . . . . . 421 VAL HG2 . . . . . . . . . . . . 50705 1 630 . 1 . 1 57 57 VAL HG22 H 1 -0.168 0.020 . 2 . . . . . 421 VAL HG2 . . . . . . . . . . . . 50705 1 631 . 1 . 1 57 57 VAL HG23 H 1 -0.168 0.020 . 2 . . . . . 421 VAL HG2 . . . . . . . . . . . . 50705 1 632 . 1 . 1 57 57 VAL C C 13 170.506 0.3 . 1 . . . . . 421 VAL C . . . . . . . . . . . . 50705 1 633 . 1 . 1 57 57 VAL CA C 13 58.027 0.3 . 1 . . . . . 421 VAL CA . . . . . . . . . . . . 50705 1 634 . 1 . 1 57 57 VAL CB C 13 33.258 0.3 . 1 . . . . . 421 VAL CB . . . . . . . . . . . . 50705 1 635 . 1 . 1 57 57 VAL CG1 C 13 18.333 0.3 . 1 . . . . . 421 VAL CG1 . . . . . . . . . . . . 50705 1 636 . 1 . 1 57 57 VAL CG2 C 13 16.305 0.3 . 1 . . . . . 421 VAL CG2 . . . . . . . . . . . . 50705 1 637 . 1 . 1 57 57 VAL N N 15 117.768 0.3 . 1 . . . . . 421 VAL N . . . . . . . . . . . . 50705 1 638 . 1 . 1 58 58 THR H H 1 7.963 0.020 . 1 . . . . . 422 THR H . . . . . . . . . . . . 50705 1 639 . 1 . 1 58 58 THR HA H 1 4.936 0.020 . 1 . . . . . 422 THR HA . . . . . . . . . . . . 50705 1 640 . 1 . 1 58 58 THR HB H 1 3.878 0.020 . 1 . . . . . 422 THR HB . . . . . . . . . . . . 50705 1 641 . 1 . 1 58 58 THR HG21 H 1 1.319 0.020 . 1 . . . . . 422 THR HG2 . . . . . . . . . . . . 50705 1 642 . 1 . 1 58 58 THR HG22 H 1 1.319 0.020 . 1 . . . . . 422 THR HG2 . . . . . . . . . . . . 50705 1 643 . 1 . 1 58 58 THR HG23 H 1 1.319 0.020 . 1 . . . . . 422 THR HG2 . . . . . . . . . . . . 50705 1 644 . 1 . 1 58 58 THR C C 13 173.000 0.3 . 1 . . . . . 422 THR C . . . . . . . . . . . . 50705 1 645 . 1 . 1 58 58 THR CA C 13 59.269 0.3 . 1 . . . . . 422 THR CA . . . . . . . . . . . . 50705 1 646 . 1 . 1 58 58 THR CB C 13 67.712 0.3 . 1 . . . . . 422 THR CB . . . . . . . . . . . . 50705 1 647 . 1 . 1 58 58 THR CG2 C 13 19.323 0.3 . 1 . . . . . 422 THR CG2 . . . . . . . . . . . . 50705 1 648 . 1 . 1 58 58 THR N N 15 121.047 0.3 . 1 . . . . . 422 THR N . . . . . . . . . . . . 50705 1 649 . 1 . 1 59 59 TYR H H 1 8.547 0.020 . 1 . . . . . 423 TYR H . . . . . . . . . . . . 50705 1 650 . 1 . 1 59 59 TYR HA H 1 5.360 0.020 . 1 . . . . . 423 TYR HA . . . . . . . . . . . . 50705 1 651 . 1 . 1 59 59 TYR HB2 H 1 3.838 0.020 . 2 . . . . . 423 TYR HB2 . . . . . . . . . . . . 50705 1 652 . 1 . 1 59 59 TYR HB3 H 1 2.631 0.020 . 2 . . . . . 423 TYR HB3 . . . . . . . . . . . . 50705 1 653 . 1 . 1 59 59 TYR HD1 H 1 6.751 0.020 . 1 . . . . . 423 TYR HD1 . . . . . . . . . . . . 50705 1 654 . 1 . 1 59 59 TYR HD2 H 1 6.751 0.020 . 1 . . . . . 423 TYR HD2 . . . . . . . . . . . . 50705 1 655 . 1 . 1 59 59 TYR HE1 H 1 6.805 0.020 . 1 . . . . . 423 TYR HE1 . . . . . . . . . . . . 50705 1 656 . 1 . 1 59 59 TYR HE2 H 1 6.805 0.020 . 1 . . . . . 423 TYR HE2 . . . . . . . . . . . . 50705 1 657 . 1 . 1 59 59 TYR C C 13 171.019 0.3 . 1 . . . . . 423 TYR C . . . . . . . . . . . . 50705 1 658 . 1 . 1 59 59 TYR CA C 13 53.840 0.3 . 1 . . . . . 423 TYR CA . . . . . . . . . . . . 50705 1 659 . 1 . 1 59 59 TYR CB C 13 40.473 0.3 . 1 . . . . . 423 TYR CB . . . . . . . . . . . . 50705 1 660 . 1 . 1 59 59 TYR CE1 C 13 116.068 0.3 . 1 . . . . . 423 TYR CE1 . . . . . . . . . . . . 50705 1 661 . 1 . 1 59 59 TYR CE2 C 13 116.068 0.3 . 1 . . . . . 423 TYR CE2 . . . . . . . . . . . . 50705 1 662 . 1 . 1 59 59 TYR N N 15 123.858 0.3 . 1 . . . . . 423 TYR N . . . . . . . . . . . . 50705 1 663 . 1 . 1 60 60 ASP H H 1 8.767 0.020 . 1 . . . . . 424 ASP H . . . . . . . . . . . . 50705 1 664 . 1 . 1 60 60 ASP HA H 1 5.257 0.020 . 1 . . . . . 424 ASP HA . . . . . . . . . . . . 50705 1 665 . 1 . 1 60 60 ASP HB2 H 1 2.732 0.020 . 1 . . . . . 424 ASP HB2 . . . . . . . . . . . . 50705 1 666 . 1 . 1 60 60 ASP HB3 H 1 2.732 0.020 . 1 . . . . . 424 ASP HB3 . . . . . . . . . . . . 50705 1 667 . 1 . 1 60 60 ASP C C 13 174.944 0.3 . 1 . . . . . 424 ASP C . . . . . . . . . . . . 50705 1 668 . 1 . 1 60 60 ASP CA C 13 52.677 0.3 . 1 . . . . . 424 ASP CA . . . . . . . . . . . . 50705 1 669 . 1 . 1 60 60 ASP CB C 13 42.274 0.3 . 1 . . . . . 424 ASP CB . . . . . . . . . . . . 50705 1 670 . 1 . 1 60 60 ASP N N 15 114.797 0.3 . 1 . . . . . 424 ASP N . . . . . . . . . . . . 50705 1 671 . 1 . 1 61 61 THR H H 1 7.984 0.020 . 1 . . . . . 425 THR H . . . . . . . . . . . . 50705 1 672 . 1 . 1 61 61 THR HA H 1 5.204 0.020 . 1 . . . . . 425 THR HA . . . . . . . . . . . . 50705 1 673 . 1 . 1 61 61 THR HB H 1 3.898 0.020 . 1 . . . . . 425 THR HB . . . . . . . . . . . . 50705 1 674 . 1 . 1 61 61 THR HG21 H 1 1.332 0.020 . 1 . . . . . 425 THR HG2 . . . . . . . . . . . . 50705 1 675 . 1 . 1 61 61 THR HG22 H 1 1.332 0.020 . 1 . . . . . 425 THR HG2 . . . . . . . . . . . . 50705 1 676 . 1 . 1 61 61 THR HG23 H 1 1.332 0.020 . 1 . . . . . 425 THR HG2 . . . . . . . . . . . . 50705 1 677 . 1 . 1 61 61 THR C C 13 168.782 0.3 . 1 . . . . . 425 THR C . . . . . . . . . . . . 50705 1 678 . 1 . 1 61 61 THR CA C 13 60.239 0.3 . 1 . . . . . 425 THR CA . . . . . . . . . . . . 50705 1 679 . 1 . 1 61 61 THR CB C 13 71.155 0.3 . 1 . . . . . 425 THR CB . . . . . . . . . . . . 50705 1 680 . 1 . 1 61 61 THR CG2 C 13 19.745 0.3 . 1 . . . . . 425 THR CG2 . . . . . . . . . . . . 50705 1 681 . 1 . 1 61 61 THR N N 15 116.674 0.3 . 1 . . . . . 425 THR N . . . . . . . . . . . . 50705 1 682 . 1 . 1 62 62 VAL H H 1 8.922 0.020 . 1 . . . . . 426 VAL H . . . . . . . . . . . . 50705 1 683 . 1 . 1 62 62 VAL HA H 1 5.437 0.020 . 1 . . . . . 426 VAL HA . . . . . . . . . . . . 50705 1 684 . 1 . 1 62 62 VAL HB H 1 1.834 0.020 . 1 . . . . . 426 VAL HB . . . . . . . . . . . . 50705 1 685 . 1 . 1 62 62 VAL HG11 H 1 1.034 0.020 . 2 . . . . . 426 VAL HG1 . . . . . . . . . . . . 50705 1 686 . 1 . 1 62 62 VAL HG12 H 1 1.034 0.020 . 2 . . . . . 426 VAL HG1 . . . . . . . . . . . . 50705 1 687 . 1 . 1 62 62 VAL HG13 H 1 1.034 0.020 . 2 . . . . . 426 VAL HG1 . . . . . . . . . . . . 50705 1 688 . 1 . 1 62 62 VAL HG21 H 1 0.991 0.020 . 2 . . . . . 426 VAL HG2 . . . . . . . . . . . . 50705 1 689 . 1 . 1 62 62 VAL HG22 H 1 0.991 0.020 . 2 . . . . . 426 VAL HG2 . . . . . . . . . . . . 50705 1 690 . 1 . 1 62 62 VAL HG23 H 1 0.991 0.020 . 2 . . . . . 426 VAL HG2 . . . . . . . . . . . . 50705 1 691 . 1 . 1 62 62 VAL C C 13 172.560 0.3 . 1 . . . . . 426 VAL C . . . . . . . . . . . . 50705 1 692 . 1 . 1 62 62 VAL CA C 13 58.027 0.3 . 1 . . . . . 426 VAL CA . . . . . . . . . . . . 50705 1 693 . 1 . 1 62 62 VAL CB C 13 33.372 0.3 . 1 . . . . . 426 VAL CB . . . . . . . . . . . . 50705 1 694 . 1 . 1 62 62 VAL CG1 C 13 20.261 0.3 . 1 . . . . . 426 VAL CG1 . . . . . . . . . . . . 50705 1 695 . 1 . 1 62 62 VAL CG2 C 13 20.261 0.3 . 1 . . . . . 426 VAL CG2 . . . . . . . . . . . . 50705 1 696 . 1 . 1 62 62 VAL N N 15 123.266 0.3 . 1 . . . . . 426 VAL N . . . . . . . . . . . . 50705 1 697 . 1 . 1 63 63 CYS H H 1 9.613 0.020 . 1 . . . . . 427 CYS H . . . . . . . . . . . . 50705 1 698 . 1 . 1 63 63 CYS HA H 1 6.248 0.020 . 1 . . . . . 427 CYS HA . . . . . . . . . . . . 50705 1 699 . 1 . 1 63 63 CYS HB2 H 1 2.805 0.020 . 2 . . . . . 427 CYS HB2 . . . . . . . . . . . . 50705 1 700 . 1 . 1 63 63 CYS HB3 H 1 2.667 0.020 . 2 . . . . . 427 CYS HB3 . . . . . . . . . . . . 50705 1 701 . 1 . 1 63 63 CYS CA C 13 54.216 0.3 . 1 . . . . . 427 CYS CA . . . . . . . . . . . . 50705 1 702 . 1 . 1 63 63 CYS CB C 13 30.325 0.3 . 1 . . . . . 427 CYS CB . . . . . . . . . . . . 50705 1 703 . 1 . 1 63 63 CYS N N 15 119.941 0.3 . 1 . . . . . 427 CYS N . . . . . . . . . . . . 50705 1 704 . 1 . 1 64 64 LYS H H 1 9.117 0.020 . 1 . . . . . 428 LYS H . . . . . . . . . . . . 50705 1 705 . 1 . 1 64 64 LYS HA H 1 4.891 0.020 . 1 . . . . . 428 LYS HA . . . . . . . . . . . . 50705 1 706 . 1 . 1 64 64 LYS HB2 H 1 0.466 0.020 . 2 . . . . . 428 LYS HB2 . . . . . . . . . . . . 50705 1 707 . 1 . 1 64 64 LYS HB3 H 1 -1.235 0.020 . 2 . . . . . 428 LYS HB3 . . . . . . . . . . . . 50705 1 708 . 1 . 1 64 64 LYS HG2 H 1 0.371 0.020 . 2 . . . . . 428 LYS HG2 . . . . . . . . . . . . 50705 1 709 . 1 . 1 64 64 LYS HG3 H 1 0.276 0.020 . 2 . . . . . 428 LYS HG3 . . . . . . . . . . . . 50705 1 710 . 1 . 1 64 64 LYS HD2 H 1 0.294 0.020 . 2 . . . . . 428 LYS HD2 . . . . . . . . . . . . 50705 1 711 . 1 . 1 64 64 LYS HD3 H 1 -0.370 0.020 . 2 . . . . . 428 LYS HD3 . . . . . . . . . . . . 50705 1 712 . 1 . 1 64 64 LYS HE2 H 1 1.394 0.020 . 2 . . . . . 428 LYS HE2 . . . . . . . . . . . . 50705 1 713 . 1 . 1 64 64 LYS HE3 H 1 0.321 0.020 . 2 . . . . . 428 LYS HE3 . . . . . . . . . . . . 50705 1 714 . 1 . 1 64 64 LYS C C 13 172.633 0.3 . 1 . . . . . 428 LYS C . . . . . . . . . . . . 50705 1 715 . 1 . 1 64 64 LYS CA C 13 53.719 0.3 . 1 . . . . . 428 LYS CA . . . . . . . . . . . . 50705 1 716 . 1 . 1 64 64 LYS CB C 13 28.882 0.3 . 1 . . . . . 428 LYS CB . . . . . . . . . . . . 50705 1 717 . 1 . 1 64 64 LYS CG C 13 22.353 0.3 . 1 . . . . . 428 LYS CG . . . . . . . . . . . . 50705 1 718 . 1 . 1 64 64 LYS CD C 13 26.190 0.3 . 1 . . . . . 428 LYS CD . . . . . . . . . . . . 50705 1 719 . 1 . 1 64 64 LYS CE C 13 38.645 0.3 . 1 . . . . . 428 LYS CE . . . . . . . . . . . . 50705 1 720 . 1 . 1 64 64 LYS N N 15 120.635 0.3 . 1 . . . . . 428 LYS N . . . . . . . . . . . . 50705 1 721 . 1 . 1 65 65 GLN H H 1 8.932 0.020 . 1 . . . . . 429 GLN H . . . . . . . . . . . . 50705 1 722 . 1 . 1 65 65 GLN HA H 1 4.761 0.020 . 1 . . . . . 429 GLN HA . . . . . . . . . . . . 50705 1 723 . 1 . 1 65 65 GLN HB2 H 1 2.407 0.020 . 2 . . . . . 429 GLN HB2 . . . . . . . . . . . . 50705 1 724 . 1 . 1 65 65 GLN HB3 H 1 1.646 0.020 . 2 . . . . . 429 GLN HB3 . . . . . . . . . . . . 50705 1 725 . 1 . 1 65 65 GLN HG2 H 1 1.195 0.020 . 2 . . . . . 429 GLN HG2 . . . . . . . . . . . . 50705 1 726 . 1 . 1 65 65 GLN HG3 H 1 1.558 0.020 . 2 . . . . . 429 GLN HG3 . . . . . . . . . . . . 50705 1 727 . 1 . 1 65 65 GLN HE21 H 1 8.071 0.020 . 1 . . . . . 429 GLN HE21 . . . . . . . . . . . . 50705 1 728 . 1 . 1 65 65 GLN HE22 H 1 6.697 0.020 . 1 . . . . . 429 GLN HE22 . . . . . . . . . . . . 50705 1 729 . 1 . 1 65 65 GLN C C 13 172.450 0.3 . 1 . . . . . 429 GLN C . . . . . . . . . . . . 50705 1 730 . 1 . 1 65 65 GLN CA C 13 53.654 0.3 . 1 . . . . . 429 GLN CA . . . . . . . . . . . . 50705 1 731 . 1 . 1 65 65 GLN CB C 13 29.366 0.3 . 1 . . . . . 429 GLN CB . . . . . . . . . . . . 50705 1 732 . 1 . 1 65 65 GLN CG C 13 32.665 0.3 . 1 . . . . . 429 GLN CG . . . . . . . . . . . . 50705 1 733 . 1 . 1 65 65 GLN N N 15 122.142 0.3 . 1 . . . . . 429 GLN N . . . . . . . . . . . . 50705 1 734 . 1 . 1 65 65 GLN NE2 N 15 117.357 0.3 . 1 . . . . . 429 GLN NE2 . . . . . . . . . . . . 50705 1 735 . 1 . 1 66 66 ASP H H 1 10.350 0.020 . 1 . . . . . 430 ASP H . . . . . . . . . . . . 50705 1 736 . 1 . 1 66 66 ASP HA H 1 4.786 0.020 . 1 . . . . . 430 ASP HA . . . . . . . . . . . . 50705 1 737 . 1 . 1 66 66 ASP HB2 H 1 3.775 0.020 . 2 . . . . . 430 ASP HB2 . . . . . . . . . . . . 50705 1 738 . 1 . 1 66 66 ASP HB3 H 1 2.692 0.020 . 2 . . . . . 430 ASP HB3 . . . . . . . . . . . . 50705 1 739 . 1 . 1 66 66 ASP C C 13 172.485 0.3 . 1 . . . . . 430 ASP C . . . . . . . . . . . . 50705 1 740 . 1 . 1 66 66 ASP CA C 13 53.759 0.3 . 1 . . . . . 430 ASP CA . . . . . . . . . . . . 50705 1 741 . 1 . 1 66 66 ASP CB C 13 41.126 0.3 . 1 . . . . . 430 ASP CB . . . . . . . . . . . . 50705 1 742 . 1 . 1 66 66 ASP N N 15 131.058 0.3 . 1 . . . . . 430 ASP N . . . . . . . . . . . . 50705 1 743 . 1 . 1 67 67 GLY H H 1 8.658 0.020 . 1 . . . . . 431 GLY H . . . . . . . . . . . . 50705 1 744 . 1 . 1 67 67 GLY HA2 H 1 4.047 0.020 . 2 . . . . . 431 GLY HA2 . . . . . . . . . . . . 50705 1 745 . 1 . 1 67 67 GLY HA3 H 1 3.976 0.020 . 2 . . . . . 431 GLY HA3 . . . . . . . . . . . . 50705 1 746 . 1 . 1 67 67 GLY C C 13 172.303 0.3 . 1 . . . . . 431 GLY C . . . . . . . . . . . . 50705 1 747 . 1 . 1 67 67 GLY CA C 13 43.114 0.3 . 1 . . . . . 431 GLY CA . . . . . . . . . . . . 50705 1 748 . 1 . 1 67 67 GLY N N 15 100.421 0.3 . 1 . . . . . 431 GLY N . . . . . . . . . . . . 50705 1 749 . 1 . 1 68 68 TYR H H 1 8.581 0.020 . 1 . . . . . 432 TYR H . . . . . . . . . . . . 50705 1 750 . 1 . 1 68 68 TYR HA H 1 5.206 0.020 . 1 . . . . . 432 TYR HA . . . . . . . . . . . . 50705 1 751 . 1 . 1 68 68 TYR HB2 H 1 2.545 0.020 . 2 . . . . . 432 TYR HB2 . . . . . . . . . . . . 50705 1 752 . 1 . 1 68 68 TYR HB3 H 1 1.880 0.020 . 2 . . . . . 432 TYR HB3 . . . . . . . . . . . . 50705 1 753 . 1 . 1 68 68 TYR HD1 H 1 6.966 0.020 . 1 . . . . . 432 TYR HD1 . . . . . . . . . . . . 50705 1 754 . 1 . 1 68 68 TYR HD2 H 1 6.966 0.020 . 1 . . . . . 432 TYR HD2 . . . . . . . . . . . . 50705 1 755 . 1 . 1 68 68 TYR HE1 H 1 6.932 0.020 . 1 . . . . . 432 TYR HE1 . . . . . . . . . . . . 50705 1 756 . 1 . 1 68 68 TYR HE2 H 1 6.932 0.020 . 1 . . . . . 432 TYR HE2 . . . . . . . . . . . . 50705 1 757 . 1 . 1 68 68 TYR C C 13 172.010 0.3 . 1 . . . . . 432 TYR C . . . . . . . . . . . . 50705 1 758 . 1 . 1 68 68 TYR CA C 13 55.686 0.3 . 1 . . . . . 432 TYR CA . . . . . . . . . . . . 50705 1 759 . 1 . 1 68 68 TYR CB C 13 39.662 0.3 . 1 . . . . . 432 TYR CB . . . . . . . . . . . . 50705 1 760 . 1 . 1 68 68 TYR CD1 C 13 131.370 0.3 . 1 . . . . . 432 TYR CD1 . . . . . . . . . . . . 50705 1 761 . 1 . 1 68 68 TYR CD2 C 13 131.370 0.3 . 1 . . . . . 432 TYR CD2 . . . . . . . . . . . . 50705 1 762 . 1 . 1 68 68 TYR CE1 C 13 114.663 0.3 . 1 . . . . . 432 TYR CE1 . . . . . . . . . . . . 50705 1 763 . 1 . 1 68 68 TYR CE2 C 13 114.663 0.3 . 1 . . . . . 432 TYR CE2 . . . . . . . . . . . . 50705 1 764 . 1 . 1 68 68 TYR N N 15 117.920 0.3 . 1 . . . . . 432 TYR N . . . . . . . . . . . . 50705 1 765 . 1 . 1 69 69 VAL H H 1 7.927 0.020 . 1 . . . . . 433 VAL H . . . . . . . . . . . . 50705 1 766 . 1 . 1 69 69 VAL HA H 1 4.799 0.020 . 1 . . . . . 433 VAL HA . . . . . . . . . . . . 50705 1 767 . 1 . 1 69 69 VAL HB H 1 1.570 0.020 . 1 . . . . . 433 VAL HB . . . . . . . . . . . . 50705 1 768 . 1 . 1 69 69 VAL HG11 H 1 0.846 0.020 . 2 . . . . . 433 VAL HG1 . . . . . . . . . . . . 50705 1 769 . 1 . 1 69 69 VAL HG12 H 1 0.846 0.020 . 2 . . . . . 433 VAL HG1 . . . . . . . . . . . . 50705 1 770 . 1 . 1 69 69 VAL HG13 H 1 0.846 0.020 . 2 . . . . . 433 VAL HG1 . . . . . . . . . . . . 50705 1 771 . 1 . 1 69 69 VAL HG21 H 1 0.690 0.020 . 2 . . . . . 433 VAL HG2 . . . . . . . . . . . . 50705 1 772 . 1 . 1 69 69 VAL HG22 H 1 0.690 0.020 . 2 . . . . . 433 VAL HG2 . . . . . . . . . . . . 50705 1 773 . 1 . 1 69 69 VAL HG23 H 1 0.690 0.020 . 2 . . . . . 433 VAL HG2 . . . . . . . . . . . . 50705 1 774 . 1 . 1 69 69 VAL C C 13 172.230 0.3 . 1 . . . . . 433 VAL C . . . . . . . . . . . . 50705 1 775 . 1 . 1 69 69 VAL CA C 13 59.166 0.3 . 1 . . . . . 433 VAL CA . . . . . . . . . . . . 50705 1 776 . 1 . 1 69 69 VAL CB C 13 30.223 0.3 . 1 . . . . . 433 VAL CB . . . . . . . . . . . . 50705 1 777 . 1 . 1 69 69 VAL CG1 C 13 19.190 0.3 . 1 . . . . . 433 VAL CG1 . . . . . . . . . . . . 50705 1 778 . 1 . 1 69 69 VAL CG2 C 13 19.190 0.3 . 1 . . . . . 433 VAL CG2 . . . . . . . . . . . . 50705 1 779 . 1 . 1 69 69 VAL N N 15 118.705 0.3 . 1 . . . . . 433 VAL N . . . . . . . . . . . . 50705 1 780 . 1 . 1 70 70 TRP H H 1 9.964 0.020 . 1 . . . . . 434 TRP H . . . . . . . . . . . . 50705 1 781 . 1 . 1 70 70 TRP HA H 1 5.518 0.020 . 1 . . . . . 434 TRP HA . . . . . . . . . . . . 50705 1 782 . 1 . 1 70 70 TRP HB2 H 1 3.244 0.020 . 2 . . . . . 434 TRP HB2 . . . . . . . . . . . . 50705 1 783 . 1 . 1 70 70 TRP HB3 H 1 2.825 0.020 . 2 . . . . . 434 TRP HB3 . . . . . . . . . . . . 50705 1 784 . 1 . 1 70 70 TRP HD1 H 1 6.427 0.020 . 1 . . . . . 434 TRP HD1 . . . . . . . . . . . . 50705 1 785 . 1 . 1 70 70 TRP HE1 H 1 11.230 0.020 . 1 . . . . . 434 TRP HE1 . . . . . . . . . . . . 50705 1 786 . 1 . 1 70 70 TRP HE3 H 1 7.264 0.020 . 1 . . . . . 434 TRP HE3 . . . . . . . . . . . . 50705 1 787 . 1 . 1 70 70 TRP HZ2 H 1 7.129 0.020 . 1 . . . . . 434 TRP HZ2 . . . . . . . . . . . . 50705 1 788 . 1 . 1 70 70 TRP HZ3 H 1 6.874 0.020 . 1 . . . . . 434 TRP HZ3 . . . . . . . . . . . . 50705 1 789 . 1 . 1 70 70 TRP HH2 H 1 6.915 0.020 . 1 . . . . . 434 TRP HH2 . . . . . . . . . . . . 50705 1 790 . 1 . 1 70 70 TRP C C 13 173.587 0.3 . 1 . . . . . 434 TRP C . . . . . . . . . . . . 50705 1 791 . 1 . 1 70 70 TRP CA C 13 52.541 0.3 . 1 . . . . . 434 TRP CA . . . . . . . . . . . . 50705 1 792 . 1 . 1 70 70 TRP CB C 13 29.472 0.3 . 1 . . . . . 434 TRP CB . . . . . . . . . . . . 50705 1 793 . 1 . 1 70 70 TRP CD1 C 13 121.290 0.3 . 1 . . . . . 434 TRP CD1 . . . . . . . . . . . . 50705 1 794 . 1 . 1 70 70 TRP CE3 C 13 116.902 0.3 . 1 . . . . . 434 TRP CE3 . . . . . . . . . . . . 50705 1 795 . 1 . 1 70 70 TRP CZ2 C 13 110.576 0.3 . 1 . . . . . 434 TRP CZ2 . . . . . . . . . . . . 50705 1 796 . 1 . 1 70 70 TRP CZ3 C 13 119.559 0.3 . 1 . . . . . 434 TRP CZ3 . . . . . . . . . . . . 50705 1 797 . 1 . 1 70 70 TRP CH2 C 13 123.279 0.3 . 1 . . . . . 434 TRP CH2 . . . . . . . . . . . . 50705 1 798 . 1 . 1 70 70 TRP N N 15 126.331 0.3 . 1 . . . . . 434 TRP N . . . . . . . . . . . . 50705 1 799 . 1 . 1 70 70 TRP NE1 N 15 132.722 0.3 . 1 . . . . . 434 TRP NE1 . . . . . . . . . . . . 50705 1 800 . 1 . 1 71 71 ILE H H 1 9.088 0.020 . 1 . . . . . 435 ILE H . . . . . . . . . . . . 50705 1 801 . 1 . 1 71 71 ILE HA H 1 5.371 0.020 . 1 . . . . . 435 ILE HA . . . . . . . . . . . . 50705 1 802 . 1 . 1 71 71 ILE HB H 1 1.483 0.020 . 1 . . . . . 435 ILE HB . . . . . . . . . . . . 50705 1 803 . 1 . 1 71 71 ILE HG12 H 1 1.522 0.020 . 2 . . . . . 435 ILE HG12 . . . . . . . . . . . . 50705 1 804 . 1 . 1 71 71 ILE HG13 H 1 0.862 0.020 . 2 . . . . . 435 ILE HG13 . . . . . . . . . . . . 50705 1 805 . 1 . 1 71 71 ILE HG21 H 1 -0.011 0.020 . 1 . . . . . 435 ILE HG2 . . . . . . . . . . . . 50705 1 806 . 1 . 1 71 71 ILE HG22 H 1 -0.011 0.020 . 1 . . . . . 435 ILE HG2 . . . . . . . . . . . . 50705 1 807 . 1 . 1 71 71 ILE HG23 H 1 -0.011 0.020 . 1 . . . . . 435 ILE HG2 . . . . . . . . . . . . 50705 1 808 . 1 . 1 71 71 ILE HD11 H 1 0.265 0.020 . 1 . . . . . 435 ILE HD1 . . . . . . . . . . . . 50705 1 809 . 1 . 1 71 71 ILE HD12 H 1 0.265 0.020 . 1 . . . . . 435 ILE HD1 . . . . . . . . . . . . 50705 1 810 . 1 . 1 71 71 ILE HD13 H 1 0.265 0.020 . 1 . . . . . 435 ILE HD1 . . . . . . . . . . . . 50705 1 811 . 1 . 1 71 71 ILE C C 13 172.596 0.3 . 1 . . . . . 435 ILE C . . . . . . . . . . . . 50705 1 812 . 1 . 1 71 71 ILE CA C 13 57.422 0.3 . 1 . . . . . 435 ILE CA . . . . . . . . . . . . 50705 1 813 . 1 . 1 71 71 ILE CB C 13 37.929 0.3 . 1 . . . . . 435 ILE CB . . . . . . . . . . . . 50705 1 814 . 1 . 1 71 71 ILE CG1 C 13 22.238 0.3 . 1 . . . . . 435 ILE CG1 . . . . . . . . . . . . 50705 1 815 . 1 . 1 71 71 ILE CG2 C 13 13.571 0.3 . 1 . . . . . 435 ILE CG2 . . . . . . . . . . . . 50705 1 816 . 1 . 1 71 71 ILE CD1 C 13 12.302 0.3 . 1 . . . . . 435 ILE CD1 . . . . . . . . . . . . 50705 1 817 . 1 . 1 71 71 ILE N N 15 113.350 0.3 . 1 . . . . . 435 ILE N . . . . . . . . . . . . 50705 1 818 . 1 . 1 72 72 SER H H 1 8.324 0.020 . 1 . . . . . 436 SER H . . . . . . . . . . . . 50705 1 819 . 1 . 1 72 72 SER HA H 1 5.419 0.020 . 1 . . . . . 436 SER HA . . . . . . . . . . . . 50705 1 820 . 1 . 1 72 72 SER HB2 H 1 3.649 0.020 . 2 . . . . . 436 SER HB2 . . . . . . . . . . . . 50705 1 821 . 1 . 1 72 72 SER HB3 H 1 2.892 0.020 . 2 . . . . . 436 SER HB3 . . . . . . . . . . . . 50705 1 822 . 1 . 1 72 72 SER C C 13 169.625 0.3 . 1 . . . . . 436 SER C . . . . . . . . . . . . 50705 1 823 . 1 . 1 72 72 SER CA C 13 53.451 0.3 . 1 . . . . . 436 SER CA . . . . . . . . . . . . 50705 1 824 . 1 . 1 72 72 SER CB C 13 63.642 0.3 . 1 . . . . . 436 SER CB . . . . . . . . . . . . 50705 1 825 . 1 . 1 72 72 SER N N 15 113.174 0.3 . 1 . . . . . 436 SER N . . . . . . . . . . . . 50705 1 826 . 1 . 1 73 73 TRP H H 1 7.777 0.020 . 1 . . . . . 437 TRP H . . . . . . . . . . . . 50705 1 827 . 1 . 1 73 73 TRP HA H 1 5.086 0.020 . 1 . . . . . 437 TRP HA . . . . . . . . . . . . 50705 1 828 . 1 . 1 73 73 TRP HB2 H 1 3.609 0.020 . 2 . . . . . 437 TRP HB2 . . . . . . . . . . . . 50705 1 829 . 1 . 1 73 73 TRP HB3 H 1 3.324 0.020 . 2 . . . . . 437 TRP HB3 . . . . . . . . . . . . 50705 1 830 . 1 . 1 73 73 TRP HD1 H 1 6.724 0.020 . 1 . . . . . 437 TRP HD1 . . . . . . . . . . . . 50705 1 831 . 1 . 1 73 73 TRP HE1 H 1 9.895 0.020 . 1 . . . . . 437 TRP HE1 . . . . . . . . . . . . 50705 1 832 . 1 . 1 73 73 TRP HZ2 H 1 6.984 0.020 . 1 . . . . . 437 TRP HZ2 . . . . . . . . . . . . 50705 1 833 . 1 . 1 73 73 TRP HH2 H 1 6.786 0.020 . 1 . . . . . 437 TRP HH2 . . . . . . . . . . . . 50705 1 834 . 1 . 1 73 73 TRP C C 13 169.672 0.3 . 1 . . . . . 437 TRP C . . . . . . . . . . . . 50705 1 835 . 1 . 1 73 73 TRP CA C 13 54.118 0.3 . 1 . . . . . 437 TRP CA . . . . . . . . . . . . 50705 1 836 . 1 . 1 73 73 TRP CB C 13 30.068 0.3 . 1 . . . . . 437 TRP CB . . . . . . . . . . . . 50705 1 837 . 1 . 1 73 73 TRP CD1 C 13 122.972 0.3 . 1 . . . . . 437 TRP CD1 . . . . . . . . . . . . 50705 1 838 . 1 . 1 73 73 TRP CZ2 C 13 111.526 0.3 . 1 . . . . . 437 TRP CZ2 . . . . . . . . . . . . 50705 1 839 . 1 . 1 73 73 TRP CH2 C 13 120.754 0.3 . 1 . . . . . 437 TRP CH2 . . . . . . . . . . . . 50705 1 840 . 1 . 1 73 73 TRP N N 15 125.107 0.3 . 1 . . . . . 437 TRP N . . . . . . . . . . . . 50705 1 841 . 1 . 1 73 73 TRP NE1 N 15 127.750 0.3 . 1 . . . . . 437 TRP NE1 . . . . . . . . . . . . 50705 1 842 . 1 . 1 74 74 THR H H 1 8.694 0.020 . 1 . . . . . 438 THR H . . . . . . . . . . . . 50705 1 843 . 1 . 1 74 74 THR HA H 1 4.951 0.020 . 1 . . . . . 438 THR HA . . . . . . . . . . . . 50705 1 844 . 1 . 1 74 74 THR HB H 1 3.779 0.020 . 1 . . . . . 438 THR HB . . . . . . . . . . . . 50705 1 845 . 1 . 1 74 74 THR HG21 H 1 1.196 0.020 . 1 . . . . . 438 THR HG2 . . . . . . . . . . . . 50705 1 846 . 1 . 1 74 74 THR HG22 H 1 1.196 0.020 . 1 . . . . . 438 THR HG2 . . . . . . . . . . . . 50705 1 847 . 1 . 1 74 74 THR HG23 H 1 1.196 0.020 . 1 . . . . . 438 THR HG2 . . . . . . . . . . . . 50705 1 848 . 1 . 1 74 74 THR C C 13 173.000 0.3 . 1 . . . . . 438 THR C . . . . . . . . . . . . 50705 1 849 . 1 . 1 74 74 THR CA C 13 59.369 0.3 . 1 . . . . . 438 THR CA . . . . . . . . . . . . 50705 1 850 . 1 . 1 74 74 THR CB C 13 68.417 0.3 . 1 . . . . . 438 THR CB . . . . . . . . . . . . 50705 1 851 . 1 . 1 74 74 THR CG2 C 13 19.402 0.3 . 1 . . . . . 438 THR CG2 . . . . . . . . . . . . 50705 1 852 . 1 . 1 74 74 THR N N 15 115.427 0.3 . 1 . . . . . 438 THR N . . . . . . . . . . . . 50705 1 853 . 1 . 1 75 75 THR H H 1 9.078 0.020 . 1 . . . . . 439 THR H . . . . . . . . . . . . 50705 1 854 . 1 . 1 75 75 THR HA H 1 4.686 0.020 . 1 . . . . . 439 THR HA . . . . . . . . . . . . 50705 1 855 . 1 . 1 75 75 THR HB H 1 4.724 0.020 . 1 . . . . . 439 THR HB . . . . . . . . . . . . 50705 1 856 . 1 . 1 75 75 THR HG21 H 1 1.473 0.020 . 1 . . . . . 439 THR HG2 . . . . . . . . . . . . 50705 1 857 . 1 . 1 75 75 THR HG22 H 1 1.473 0.020 . 1 . . . . . 439 THR HG2 . . . . . . . . . . . . 50705 1 858 . 1 . 1 75 75 THR HG23 H 1 1.473 0.020 . 1 . . . . . 439 THR HG2 . . . . . . . . . . . . 50705 1 859 . 1 . 1 75 75 THR C C 13 173.587 0.3 . 1 . . . . . 439 THR C . . . . . . . . . . . . 50705 1 860 . 1 . 1 75 75 THR CA C 13 58.784 0.3 . 1 . . . . . 439 THR CA . . . . . . . . . . . . 50705 1 861 . 1 . 1 75 75 THR CB C 13 69.789 0.3 . 1 . . . . . 439 THR CB . . . . . . . . . . . . 50705 1 862 . 1 . 1 75 75 THR CG2 C 13 19.954 0.3 . 1 . . . . . 439 THR CG2 . . . . . . . . . . . . 50705 1 863 . 1 . 1 75 75 THR N N 15 118.259 0.3 . 1 . . . . . 439 THR N . . . . . . . . . . . . 50705 1 864 . 1 . 1 76 76 ASN H H 1 9.073 0.020 . 1 . . . . . 440 ASN H . . . . . . . . . . . . 50705 1 865 . 1 . 1 76 76 ASN HA H 1 4.530 0.020 . 1 . . . . . 440 ASN HA . . . . . . . . . . . . 50705 1 866 . 1 . 1 76 76 ASN HB2 H 1 2.930 0.020 . 1 . . . . . 440 ASN HB2 . . . . . . . . . . . . 50705 1 867 . 1 . 1 76 76 ASN HB3 H 1 2.930 0.020 . 1 . . . . . 440 ASN HB3 . . . . . . . . . . . . 50705 1 868 . 1 . 1 76 76 ASN C C 13 173.521 0.3 . 1 . . . . . 440 ASN C . . . . . . . . . . . . 50705 1 869 . 1 . 1 76 76 ASN CA C 13 53.643 0.3 . 1 . . . . . 440 ASN CA . . . . . . . . . . . . 50705 1 870 . 1 . 1 76 76 ASN CB C 13 35.711 0.3 . 1 . . . . . 440 ASN CB . . . . . . . . . . . . 50705 1 871 . 1 . 1 76 76 ASN N N 15 119.870 0.3 . 1 . . . . . 440 ASN N . . . . . . . . . . . . 50705 1 872 . 1 . 1 77 77 GLY H H 1 8.281 0.020 . 1 . . . . . 441 GLY H . . . . . . . . . . . . 50705 1 873 . 1 . 1 77 77 GLY HA2 H 1 4.173 0.020 . 2 . . . . . 441 GLY HA2 . . . . . . . . . . . . 50705 1 874 . 1 . 1 77 77 GLY HA3 H 1 3.893 0.020 . 2 . . . . . 441 GLY HA3 . . . . . . . . . . . . 50705 1 875 . 1 . 1 77 77 GLY C C 13 172.193 0.3 . 1 . . . . . 441 GLY C . . . . . . . . . . . . 50705 1 876 . 1 . 1 77 77 GLY CA C 13 43.153 0.3 . 1 . . . . . 441 GLY CA . . . . . . . . . . . . 50705 1 877 . 1 . 1 77 77 GLY N N 15 107.228 0.3 . 1 . . . . . 441 GLY N . . . . . . . . . . . . 50705 1 878 . 1 . 1 78 78 GLY H H 1 8.026 0.020 . 1 . . . . . 442 GLY H . . . . . . . . . . . . 50705 1 879 . 1 . 1 78 78 GLY HA2 H 1 4.171 0.020 . 2 . . . . . 442 GLY HA2 . . . . . . . . . . . . 50705 1 880 . 1 . 1 78 78 GLY HA3 H 1 3.636 0.020 . 2 . . . . . 442 GLY HA3 . . . . . . . . . . . . 50705 1 881 . 1 . 1 78 78 GLY C C 13 171.313 0.3 . 1 . . . . . 442 GLY C . . . . . . . . . . . . 50705 1 882 . 1 . 1 78 78 GLY CA C 13 43.059 0.3 . 1 . . . . . 442 GLY CA . . . . . . . . . . . . 50705 1 883 . 1 . 1 78 78 GLY N N 15 108.081 0.3 . 1 . . . . . 442 GLY N . . . . . . . . . . . . 50705 1 884 . 1 . 1 79 79 GLN H H 1 7.540 0.020 . 1 . . . . . 443 GLN H . . . . . . . . . . . . 50705 1 885 . 1 . 1 79 79 GLN HA H 1 4.575 0.020 . 1 . . . . . 443 GLN HA . . . . . . . . . . . . 50705 1 886 . 1 . 1 79 79 GLN HB2 H 1 2.008 0.020 . 1 . . . . . 443 GLN HB2 . . . . . . . . . . . . 50705 1 887 . 1 . 1 79 79 GLN HB3 H 1 2.008 0.020 . 1 . . . . . 443 GLN HB3 . . . . . . . . . . . . 50705 1 888 . 1 . 1 79 79 GLN HG2 H 1 2.187 0.020 . 1 . . . . . 443 GLN HG2 . . . . . . . . . . . . 50705 1 889 . 1 . 1 79 79 GLN HG3 H 1 2.187 0.020 . 1 . . . . . 443 GLN HG3 . . . . . . . . . . . . 50705 1 890 . 1 . 1 79 79 GLN C C 13 172.120 0.3 . 1 . . . . . 443 GLN C . . . . . . . . . . . . 50705 1 891 . 1 . 1 79 79 GLN CA C 13 52.834 0.3 . 1 . . . . . 443 GLN CA . . . . . . . . . . . . 50705 1 892 . 1 . 1 79 79 GLN CB C 13 28.184 0.3 . 1 . . . . . 443 GLN CB . . . . . . . . . . . . 50705 1 893 . 1 . 1 79 79 GLN CG C 13 31.814 0.3 . 1 . . . . . 443 GLN CG . . . . . . . . . . . . 50705 1 894 . 1 . 1 79 79 GLN N N 15 118.551 0.3 . 1 . . . . . 443 GLN N . . . . . . . . . . . . 50705 1 895 . 1 . 1 80 80 ASP H H 1 8.425 0.020 . 1 . . . . . 444 ASP H . . . . . . . . . . . . 50705 1 896 . 1 . 1 80 80 ASP HA H 1 4.824 0.020 . 1 . . . . . 444 ASP HA . . . . . . . . . . . . 50705 1 897 . 1 . 1 80 80 ASP HB2 H 1 2.287 0.020 . 2 . . . . . 444 ASP HB2 . . . . . . . . . . . . 50705 1 898 . 1 . 1 80 80 ASP HB3 H 1 1.482 0.020 . 2 . . . . . 444 ASP HB3 . . . . . . . . . . . . 50705 1 899 . 1 . 1 80 80 ASP C C 13 171.863 0.3 . 1 . . . . . 444 ASP C . . . . . . . . . . . . 50705 1 900 . 1 . 1 80 80 ASP CA C 13 52.064 0.3 . 1 . . . . . 444 ASP CA . . . . . . . . . . . . 50705 1 901 . 1 . 1 80 80 ASP CB C 13 40.129 0.3 . 1 . . . . . 444 ASP CB . . . . . . . . . . . . 50705 1 902 . 1 . 1 80 80 ASP N N 15 125.568 0.3 . 1 . . . . . 444 ASP N . . . . . . . . . . . . 50705 1 903 . 1 . 1 81 81 VAL H H 1 7.952 0.020 . 1 . . . . . 445 VAL H . . . . . . . . . . . . 50705 1 904 . 1 . 1 81 81 VAL HA H 1 4.756 0.020 . 1 . . . . . 445 VAL HA . . . . . . . . . . . . 50705 1 905 . 1 . 1 81 81 VAL HB H 1 0.495 0.020 . 1 . . . . . 445 VAL HB . . . . . . . . . . . . 50705 1 906 . 1 . 1 81 81 VAL HG11 H 1 -0.028 0.020 . 2 . . . . . 445 VAL HG1 . . . . . . . . . . . . 50705 1 907 . 1 . 1 81 81 VAL HG12 H 1 -0.028 0.020 . 2 . . . . . 445 VAL HG1 . . . . . . . . . . . . 50705 1 908 . 1 . 1 81 81 VAL HG13 H 1 -0.028 0.020 . 2 . . . . . 445 VAL HG1 . . . . . . . . . . . . 50705 1 909 . 1 . 1 81 81 VAL HG21 H 1 0.236 0.020 . 2 . . . . . 445 VAL HG2 . . . . . . . . . . . . 50705 1 910 . 1 . 1 81 81 VAL HG22 H 1 0.236 0.020 . 2 . . . . . 445 VAL HG2 . . . . . . . . . . . . 50705 1 911 . 1 . 1 81 81 VAL HG23 H 1 0.236 0.020 . 2 . . . . . 445 VAL HG2 . . . . . . . . . . . . 50705 1 912 . 1 . 1 81 81 VAL C C 13 171.733 0.3 . 1 . . . . . 445 VAL C . . . . . . . . . . . . 50705 1 913 . 1 . 1 81 81 VAL CA C 13 57.651 0.3 . 1 . . . . . 445 VAL CA . . . . . . . . . . . . 50705 1 914 . 1 . 1 81 81 VAL CB C 13 33.372 0.3 . 1 . . . . . 445 VAL CB . . . . . . . . . . . . 50705 1 915 . 1 . 1 81 81 VAL CG1 C 13 17.711 0.3 . 1 . . . . . 445 VAL CG1 . . . . . . . . . . . . 50705 1 916 . 1 . 1 81 81 VAL CG2 C 13 20.941 0.3 . 1 . . . . . 445 VAL CG2 . . . . . . . . . . . . 50705 1 917 . 1 . 1 81 81 VAL N N 15 117.764 0.3 . 1 . . . . . 445 VAL N . . . . . . . . . . . . 50705 1 918 . 1 . 1 82 82 TRP H H 1 9.348 0.020 . 1 . . . . . 446 TRP H . . . . . . . . . . . . 50705 1 919 . 1 . 1 82 82 TRP HA H 1 5.241 0.020 . 1 . . . . . 446 TRP HA . . . . . . . . . . . . 50705 1 920 . 1 . 1 82 82 TRP HB2 H 1 2.876 0.020 . 2 . . . . . 446 TRP HB2 . . . . . . . . . . . . 50705 1 921 . 1 . 1 82 82 TRP HB3 H 1 2.637 0.020 . 2 . . . . . 446 TRP HB3 . . . . . . . . . . . . 50705 1 922 . 1 . 1 82 82 TRP HD1 H 1 6.412 0.020 . 1 . . . . . 446 TRP HD1 . . . . . . . . . . . . 50705 1 923 . 1 . 1 82 82 TRP HE1 H 1 9.318 0.020 . 1 . . . . . 446 TRP HE1 . . . . . . . . . . . . 50705 1 924 . 1 . 1 82 82 TRP HZ2 H 1 7.010 0.020 . 1 . . . . . 446 TRP HZ2 . . . . . . . . . . . . 50705 1 925 . 1 . 1 82 82 TRP C C 13 172.670 0.3 . 1 . . . . . 446 TRP C . . . . . . . . . . . . 50705 1 926 . 1 . 1 82 82 TRP CA C 13 55.760 0.3 . 1 . . . . . 446 TRP CA . . . . . . . . . . . . 50705 1 927 . 1 . 1 82 82 TRP CB C 13 32.101 0.3 . 1 . . . . . 446 TRP CB . . . . . . . . . . . . 50705 1 928 . 1 . 1 82 82 TRP CD1 C 13 121.835 0.3 . 1 . . . . . 446 TRP CD1 . . . . . . . . . . . . 50705 1 929 . 1 . 1 82 82 TRP CZ2 C 13 111.051 0.3 . 1 . . . . . 446 TRP CZ2 . . . . . . . . . . . . 50705 1 930 . 1 . 1 82 82 TRP N N 15 124.646 0.3 . 1 . . . . . 446 TRP N . . . . . . . . . . . . 50705 1 931 . 1 . 1 82 82 TRP NE1 N 15 126.495 0.3 . 1 . . . . . 446 TRP NE1 . . . . . . . . . . . . 50705 1 932 . 1 . 1 83 83 MET H H 1 9.543 0.020 . 1 . . . . . 447 MET H . . . . . . . . . . . . 50705 1 933 . 1 . 1 83 83 MET HA H 1 5.250 0.020 . 1 . . . . . 447 MET HA . . . . . . . . . . . . 50705 1 934 . 1 . 1 83 83 MET HB2 H 1 2.178 0.020 . 2 . . . . . 447 MET HB2 . . . . . . . . . . . . 50705 1 935 . 1 . 1 83 83 MET HB3 H 1 1.982 0.020 . 2 . . . . . 447 MET HB3 . . . . . . . . . . . . 50705 1 936 . 1 . 1 83 83 MET HG2 H 1 2.524 0.020 . 2 . . . . . 447 MET HG2 . . . . . . . . . . . . 50705 1 937 . 1 . 1 83 83 MET HG3 H 1 2.358 0.020 . 2 . . . . . 447 MET HG3 . . . . . . . . . . . . 50705 1 938 . 1 . 1 83 83 MET HE1 H 1 1.573 0.020 . 1 . . . . . 447 MET HE . . . . . . . . . . . . 50705 1 939 . 1 . 1 83 83 MET HE2 H 1 1.573 0.020 . 1 . . . . . 447 MET HE . . . . . . . . . . . . 50705 1 940 . 1 . 1 83 83 MET HE3 H 1 1.573 0.020 . 1 . . . . . 447 MET HE . . . . . . . . . . . . 50705 1 941 . 1 . 1 83 83 MET C C 13 169.368 0.3 . 1 . . . . . 447 MET C . . . . . . . . . . . . 50705 1 942 . 1 . 1 83 83 MET CA C 13 50.492 0.3 . 1 . . . . . 447 MET CA . . . . . . . . . . . . 50705 1 943 . 1 . 1 83 83 MET CB C 13 36.353 0.3 . 1 . . . . . 447 MET CB . . . . . . . . . . . . 50705 1 944 . 1 . 1 83 83 MET CG C 13 28.780 0.3 . 1 . . . . . 447 MET CG . . . . . . . . . . . . 50705 1 945 . 1 . 1 83 83 MET CE C 13 16.130 0.3 . 1 . . . . . 447 MET CE . . . . . . . . . . . . 50705 1 946 . 1 . 1 83 83 MET N N 15 122.740 0.3 . 1 . . . . . 447 MET N . . . . . . . . . . . . 50705 1 947 . 1 . 1 84 84 PRO HA H 1 4.271 0.020 . 1 . . . . . 448 PRO HA . . . . . . . . . . . . 50705 1 948 . 1 . 1 84 84 PRO HB2 H 1 0.890 0.020 . 2 . . . . . 448 PRO HB2 . . . . . . . . . . . . 50705 1 949 . 1 . 1 84 84 PRO HB3 H 1 -0.239 0.020 . 2 . . . . . 448 PRO HB3 . . . . . . . . . . . . 50705 1 950 . 1 . 1 84 84 PRO HG2 H 1 1.703 0.020 . 2 . . . . . 448 PRO HG2 . . . . . . . . . . . . 50705 1 951 . 1 . 1 84 84 PRO HG3 H 1 0.812 0.020 . 2 . . . . . 448 PRO HG3 . . . . . . . . . . . . 50705 1 952 . 1 . 1 84 84 PRO HD2 H 1 3.776 0.020 . 2 . . . . . 448 PRO HD2 . . . . . . . . . . . . 50705 1 953 . 1 . 1 84 84 PRO HD3 H 1 3.543 0.020 . 2 . . . . . 448 PRO HD3 . . . . . . . . . . . . 50705 1 954 . 1 . 1 84 84 PRO CA C 13 60.060 0.3 . 1 . . . . . 448 PRO CA . . . . . . . . . . . . 50705 1 955 . 1 . 1 84 84 PRO CB C 13 28.912 0.3 . 1 . . . . . 448 PRO CB . . . . . . . . . . . . 50705 1 956 . 1 . 1 84 84 PRO CG C 13 23.684 0.3 . 1 . . . . . 448 PRO CG . . . . . . . . . . . . 50705 1 957 . 1 . 1 84 84 PRO CD C 13 48.326 0.3 . 1 . . . . . 448 PRO CD . . . . . . . . . . . . 50705 1 958 . 1 . 1 85 85 VAL H H 1 8.360 0.020 . 1 . . . . . 449 VAL H . . . . . . . . . . . . 50705 1 959 . 1 . 1 85 85 VAL HA H 1 4.312 0.020 . 1 . . . . . 449 VAL HA . . . . . . . . . . . . 50705 1 960 . 1 . 1 85 85 VAL HB H 1 1.952 0.020 . 1 . . . . . 449 VAL HB . . . . . . . . . . . . 50705 1 961 . 1 . 1 85 85 VAL HG11 H 1 -0.111 0.020 . 2 . . . . . 449 VAL HG1 . . . . . . . . . . . . 50705 1 962 . 1 . 1 85 85 VAL HG12 H 1 -0.111 0.020 . 2 . . . . . 449 VAL HG1 . . . . . . . . . . . . 50705 1 963 . 1 . 1 85 85 VAL HG13 H 1 -0.111 0.020 . 2 . . . . . 449 VAL HG1 . . . . . . . . . . . . 50705 1 964 . 1 . 1 85 85 VAL HG21 H 1 0.234 0.020 . 2 . . . . . 449 VAL HG2 . . . . . . . . . . . . 50705 1 965 . 1 . 1 85 85 VAL HG22 H 1 0.234 0.020 . 2 . . . . . 449 VAL HG2 . . . . . . . . . . . . 50705 1 966 . 1 . 1 85 85 VAL HG23 H 1 0.234 0.020 . 2 . . . . . 449 VAL HG2 . . . . . . . . . . . . 50705 1 967 . 1 . 1 85 85 VAL C C 13 170.616 0.3 . 1 . . . . . 449 VAL C . . . . . . . . . . . . 50705 1 968 . 1 . 1 85 85 VAL CA C 13 58.453 0.3 . 1 . . . . . 449 VAL CA . . . . . . . . . . . . 50705 1 969 . 1 . 1 85 85 VAL CB C 13 31.311 0.3 . 1 . . . . . 449 VAL CB . . . . . . . . . . . . 50705 1 970 . 1 . 1 85 85 VAL CG1 C 13 20.526 0.3 . 1 . . . . . 449 VAL CG1 . . . . . . . . . . . . 50705 1 971 . 1 . 1 85 85 VAL CG2 C 13 14.968 0.3 . 1 . . . . . 449 VAL CG2 . . . . . . . . . . . . 50705 1 972 . 1 . 1 85 85 VAL N N 15 104.789 0.3 . 1 . . . . . 449 VAL N . . . . . . . . . . . . 50705 1 973 . 1 . 1 86 86 ARG H H 1 6.693 0.020 . 1 . . . . . 450 ARG H . . . . . . . . . . . . 50705 1 974 . 1 . 1 86 86 ARG HA H 1 3.301 0.020 . 1 . . . . . 450 ARG HA . . . . . . . . . . . . 50705 1 975 . 1 . 1 86 86 ARG HB2 H 1 1.869 0.020 . 2 . . . . . 450 ARG HB2 . . . . . . . . . . . . 50705 1 976 . 1 . 1 86 86 ARG HB3 H 1 1.354 0.020 . 2 . . . . . 450 ARG HB3 . . . . . . . . . . . . 50705 1 977 . 1 . 1 86 86 ARG HG2 H 1 1.660 0.020 . 2 . . . . . 450 ARG HG2 . . . . . . . . . . . . 50705 1 978 . 1 . 1 86 86 ARG HG3 H 1 1.329 0.020 . 2 . . . . . 450 ARG HG3 . . . . . . . . . . . . 50705 1 979 . 1 . 1 86 86 ARG HD2 H 1 3.341 0.020 . 2 . . . . . 450 ARG HD2 . . . . . . . . . . . . 50705 1 980 . 1 . 1 86 86 ARG HD3 H 1 2.685 0.020 . 2 . . . . . 450 ARG HD3 . . . . . . . . . . . . 50705 1 981 . 1 . 1 86 86 ARG HE H 1 7.353 0.020 . 1 . . . . . 450 ARG HE . . . . . . . . . . . . 50705 1 982 . 1 . 1 86 86 ARG C C 13 172.120 0.3 . 1 . . . . . 450 ARG C . . . . . . . . . . . . 50705 1 983 . 1 . 1 86 86 ARG CA C 13 52.213 0.3 . 1 . . . . . 450 ARG CA . . . . . . . . . . . . 50705 1 984 . 1 . 1 86 86 ARG CB C 13 29.364 0.3 . 1 . . . . . 450 ARG CB . . . . . . . . . . . . 50705 1 985 . 1 . 1 86 86 ARG CG C 13 18.934 0.3 . 1 . . . . . 450 ARG CG . . . . . . . . . . . . 50705 1 986 . 1 . 1 86 86 ARG CD C 13 41.947 0.3 . 1 . . . . . 450 ARG CD . . . . . . . . . . . . 50705 1 987 . 1 . 1 86 86 ARG N N 15 110.746 0.3 . 1 . . . . . 450 ARG N . . . . . . . . . . . . 50705 1 988 . 1 . 1 86 86 ARG NE N 15 121.171 0.3 . 1 . . . . . 450 ARG NE . . . . . . . . . . . . 50705 1 989 . 1 . 1 87 87 THR H H 1 9.123 0.020 . 1 . . . . . 451 THR H . . . . . . . . . . . . 50705 1 990 . 1 . 1 87 87 THR HA H 1 4.501 0.020 . 1 . . . . . 451 THR HA . . . . . . . . . . . . 50705 1 991 . 1 . 1 87 87 THR HB H 1 4.298 0.020 . 1 . . . . . 451 THR HB . . . . . . . . . . . . 50705 1 992 . 1 . 1 87 87 THR HG21 H 1 1.553 0.020 . 1 . . . . . 451 THR HG2 . . . . . . . . . . . . 50705 1 993 . 1 . 1 87 87 THR HG22 H 1 1.553 0.020 . 1 . . . . . 451 THR HG2 . . . . . . . . . . . . 50705 1 994 . 1 . 1 87 87 THR HG23 H 1 1.553 0.020 . 1 . . . . . 451 THR HG2 . . . . . . . . . . . . 50705 1 995 . 1 . 1 87 87 THR C C 13 171.349 0.3 . 1 . . . . . 451 THR C . . . . . . . . . . . . 50705 1 996 . 1 . 1 87 87 THR CA C 13 60.629 0.3 . 1 . . . . . 451 THR CA . . . . . . . . . . . . 50705 1 997 . 1 . 1 87 87 THR CB C 13 68.875 0.3 . 1 . . . . . 451 THR CB . . . . . . . . . . . . 50705 1 998 . 1 . 1 87 87 THR CG2 C 13 19.660 0.3 . 1 . . . . . 451 THR CG2 . . . . . . . . . . . . 50705 1 999 . 1 . 1 87 87 THR N N 15 111.196 0.3 . 1 . . . . . 451 THR N . . . . . . . . . . . . 50705 1 1000 . 1 . 1 88 88 TRP H H 1 8.031 0.020 . 1 . . . . . 452 TRP H . . . . . . . . . . . . 50705 1 1001 . 1 . 1 88 88 TRP HA H 1 4.813 0.020 . 1 . . . . . 452 TRP HA . . . . . . . . . . . . 50705 1 1002 . 1 . 1 88 88 TRP HB2 H 1 2.897 0.020 . 2 . . . . . 452 TRP HB2 . . . . . . . . . . . . 50705 1 1003 . 1 . 1 88 88 TRP HB3 H 1 2.518 0.020 . 2 . . . . . 452 TRP HB3 . . . . . . . . . . . . 50705 1 1004 . 1 . 1 88 88 TRP HD1 H 1 6.927 0.020 . 1 . . . . . 452 TRP HD1 . . . . . . . . . . . . 50705 1 1005 . 1 . 1 88 88 TRP HE1 H 1 10.720 0.020 . 1 . . . . . 452 TRP HE1 . . . . . . . . . . . . 50705 1 1006 . 1 . 1 88 88 TRP HZ2 H 1 7.134 0.020 . 1 . . . . . 452 TRP HZ2 . . . . . . . . . . . . 50705 1 1007 . 1 . 1 88 88 TRP HH2 H 1 6.957 0.020 . 1 . . . . . 452 TRP HH2 . . . . . . . . . . . . 50705 1 1008 . 1 . 1 88 88 TRP C C 13 170.212 0.3 . 1 . . . . . 452 TRP C . . . . . . . . . . . . 50705 1 1009 . 1 . 1 88 88 TRP CA C 13 54.903 0.3 . 1 . . . . . 452 TRP CA . . . . . . . . . . . . 50705 1 1010 . 1 . 1 88 88 TRP CB C 13 29.020 0.3 . 1 . . . . . 452 TRP CB . . . . . . . . . . . . 50705 1 1011 . 1 . 1 88 88 TRP CD1 C 13 124.064 0.3 . 1 . . . . . 452 TRP CD1 . . . . . . . . . . . . 50705 1 1012 . 1 . 1 88 88 TRP CZ2 C 13 112.101 0.3 . 1 . . . . . 452 TRP CZ2 . . . . . . . . . . . . 50705 1 1013 . 1 . 1 88 88 TRP CH2 C 13 122.255 0.3 . 1 . . . . . 452 TRP CH2 . . . . . . . . . . . . 50705 1 1014 . 1 . 1 88 88 TRP N N 15 121.829 0.3 . 1 . . . . . 452 TRP N . . . . . . . . . . . . 50705 1 1015 . 1 . 1 88 88 TRP NE1 N 15 135.254 0.3 . 1 . . . . . 452 TRP NE1 . . . . . . . . . . . . 50705 1 1016 . 1 . 1 89 89 ASP H H 1 7.481 0.020 . 1 . . . . . 453 ASP H . . . . . . . . . . . . 50705 1 1017 . 1 . 1 89 89 ASP HA H 1 4.276 0.020 . 1 . . . . . 453 ASP HA . . . . . . . . . . . . 50705 1 1018 . 1 . 1 89 89 ASP HB2 H 1 2.718 0.020 . 2 . . . . . 453 ASP HB2 . . . . . . . . . . . . 50705 1 1019 . 1 . 1 89 89 ASP HB3 H 1 2.244 0.020 . 2 . . . . . 453 ASP HB3 . . . . . . . . . . . . 50705 1 1020 . 1 . 1 89 89 ASP C C 13 172.230 0.3 . 1 . . . . . 453 ASP C . . . . . . . . . . . . 50705 1 1021 . 1 . 1 89 89 ASP CA C 13 49.520 0.3 . 1 . . . . . 453 ASP CA . . . . . . . . . . . . 50705 1 1022 . 1 . 1 89 89 ASP CB C 13 40.129 0.3 . 1 . . . . . 453 ASP CB . . . . . . . . . . . . 50705 1 1023 . 1 . 1 89 89 ASP N N 15 128.685 0.3 . 1 . . . . . 453 ASP N . . . . . . . . . . . . 50705 1 1024 . 1 . 1 90 90 LYS H H 1 7.944 0.020 . 1 . . . . . 454 LYS H . . . . . . . . . . . . 50705 1 1025 . 1 . 1 90 90 LYS HA H 1 2.677 0.020 . 1 . . . . . 454 LYS HA . . . . . . . . . . . . 50705 1 1026 . 1 . 1 90 90 LYS HB2 H 1 1.303 0.020 . 2 . . . . . 454 LYS HB2 . . . . . . . . . . . . 50705 1 1027 . 1 . 1 90 90 LYS HB3 H 1 0.959 0.020 . 2 . . . . . 454 LYS HB3 . . . . . . . . . . . . 50705 1 1028 . 1 . 1 90 90 LYS HG2 H 1 1.135 0.020 . 2 . . . . . 454 LYS HG2 . . . . . . . . . . . . 50705 1 1029 . 1 . 1 90 90 LYS HG3 H 1 1.045 0.020 . 2 . . . . . 454 LYS HG3 . . . . . . . . . . . . 50705 1 1030 . 1 . 1 90 90 LYS HD2 H 1 1.654 0.020 . 1 . . . . . 454 LYS HD2 . . . . . . . . . . . . 50705 1 1031 . 1 . 1 90 90 LYS HD3 H 1 1.654 0.020 . 1 . . . . . 454 LYS HD3 . . . . . . . . . . . . 50705 1 1032 . 1 . 1 90 90 LYS HE2 H 1 3.018 0.020 . 1 . . . . . 454 LYS HE2 . . . . . . . . . . . . 50705 1 1033 . 1 . 1 90 90 LYS HE3 H 1 3.018 0.020 . 1 . . . . . 454 LYS HE3 . . . . . . . . . . . . 50705 1 1034 . 1 . 1 90 90 LYS C C 13 174.284 0.3 . 1 . . . . . 454 LYS C . . . . . . . . . . . . 50705 1 1035 . 1 . 1 90 90 LYS CA C 13 55.475 0.3 . 1 . . . . . 454 LYS CA . . . . . . . . . . . . 50705 1 1036 . 1 . 1 90 90 LYS CB C 13 29.936 0.3 . 1 . . . . . 454 LYS CB . . . . . . . . . . . . 50705 1 1037 . 1 . 1 90 90 LYS CG C 13 20.932 0.3 . 1 . . . . . 454 LYS CG . . . . . . . . . . . . 50705 1 1038 . 1 . 1 90 90 LYS CD C 13 27.243 0.3 . 1 . . . . . 454 LYS CD . . . . . . . . . . . . 50705 1 1039 . 1 . 1 90 90 LYS CE C 13 40.144 0.3 . 1 . . . . . 454 LYS CE . . . . . . . . . . . . 50705 1 1040 . 1 . 1 90 90 LYS N N 15 125.108 0.3 . 1 . . . . . 454 LYS N . . . . . . . . . . . . 50705 1 1041 . 1 . 1 91 91 ASN H H 1 8.213 0.020 . 1 . . . . . 455 ASN H . . . . . . . . . . . . 50705 1 1042 . 1 . 1 91 91 ASN HA H 1 4.409 0.020 . 1 . . . . . 455 ASN HA . . . . . . . . . . . . 50705 1 1043 . 1 . 1 91 91 ASN HB2 H 1 2.883 0.020 . 2 . . . . . 455 ASN HB2 . . . . . . . . . . . . 50705 1 1044 . 1 . 1 91 91 ASN HB3 H 1 2.711 0.020 . 2 . . . . . 455 ASN HB3 . . . . . . . . . . . . 50705 1 1045 . 1 . 1 91 91 ASN HD21 H 1 7.823 0.020 . 1 . . . . . 455 ASN HD21 . . . . . . . . . . . . 50705 1 1046 . 1 . 1 91 91 ASN HD22 H 1 6.980 0.020 . 1 . . . . . 455 ASN HD22 . . . . . . . . . . . . 50705 1 1047 . 1 . 1 91 91 ASN C C 13 173.770 0.3 . 1 . . . . . 455 ASN C . . . . . . . . . . . . 50705 1 1048 . 1 . 1 91 91 ASN CA C 13 53.643 0.3 . 1 . . . . . 455 ASN CA . . . . . . . . . . . . 50705 1 1049 . 1 . 1 91 91 ASN CB C 13 36.396 0.3 . 1 . . . . . 455 ASN CB . . . . . . . . . . . . 50705 1 1050 . 1 . 1 91 91 ASN N N 15 116.519 0.3 . 1 . . . . . 455 ASN N . . . . . . . . . . . . 50705 1 1051 . 1 . 1 91 91 ASN ND2 N 15 114.660 0.3 . 1 . . . . . 455 ASN ND2 . . . . . . . . . . . . 50705 1 1052 . 1 . 1 92 92 THR H H 1 7.032 0.020 . 1 . . . . . 456 THR H . . . . . . . . . . . . 50705 1 1053 . 1 . 1 92 92 THR HA H 1 4.275 0.020 . 1 . . . . . 456 THR HA . . . . . . . . . . . . 50705 1 1054 . 1 . 1 92 92 THR HB H 1 4.218 0.020 . 1 . . . . . 456 THR HB . . . . . . . . . . . . 50705 1 1055 . 1 . 1 92 92 THR HG21 H 1 1.068 0.020 . 1 . . . . . 456 THR HG2 . . . . . . . . . . . . 50705 1 1056 . 1 . 1 92 92 THR HG22 H 1 1.068 0.020 . 1 . . . . . 456 THR HG2 . . . . . . . . . . . . 50705 1 1057 . 1 . 1 92 92 THR HG23 H 1 1.068 0.020 . 1 . . . . . 456 THR HG2 . . . . . . . . . . . . 50705 1 1058 . 1 . 1 92 92 THR C C 13 172.340 0.3 . 1 . . . . . 456 THR C . . . . . . . . . . . . 50705 1 1059 . 1 . 1 92 92 THR CA C 13 59.255 0.3 . 1 . . . . . 456 THR CA . . . . . . . . . . . . 50705 1 1060 . 1 . 1 92 92 THR CB C 13 68.931 0.3 . 1 . . . . . 456 THR CB . . . . . . . . . . . . 50705 1 1061 . 1 . 1 92 92 THR CG2 C 13 19.248 0.3 . 1 . . . . . 456 THR CG2 . . . . . . . . . . . . 50705 1 1062 . 1 . 1 92 92 THR N N 15 106.487 0.3 . 1 . . . . . 456 THR N . . . . . . . . . . . . 50705 1 1063 . 1 . 1 93 93 ASP H H 1 8.462 0.020 . 1 . . . . . 457 ASP H . . . . . . . . . . . . 50705 1 1064 . 1 . 1 93 93 ASP HA H 1 4.383 0.020 . 1 . . . . . 457 ASP HA . . . . . . . . . . . . 50705 1 1065 . 1 . 1 93 93 ASP HB2 H 1 3.141 0.020 . 2 . . . . . 457 ASP HB2 . . . . . . . . . . . . 50705 1 1066 . 1 . 1 93 93 ASP HB3 H 1 2.461 0.020 . 2 . . . . . 457 ASP HB3 . . . . . . . . . . . . 50705 1 1067 . 1 . 1 93 93 ASP C C 13 173.220 0.3 . 1 . . . . . 457 ASP C . . . . . . . . . . . . 50705 1 1068 . 1 . 1 93 93 ASP CA C 13 53.201 0.3 . 1 . . . . . 457 ASP CA . . . . . . . . . . . . 50705 1 1069 . 1 . 1 93 93 ASP CB C 13 39.785 0.3 . 1 . . . . . 457 ASP CB . . . . . . . . . . . . 50705 1 1070 . 1 . 1 93 93 ASP N N 15 122.282 0.3 . 1 . . . . . 457 ASP N . . . . . . . . . . . . 50705 1 1071 . 1 . 1 94 94 ILE H H 1 7.351 0.020 . 1 . . . . . 458 ILE H . . . . . . . . . . . . 50705 1 1072 . 1 . 1 94 94 ILE HA H 1 3.995 0.020 . 1 . . . . . 458 ILE HA . . . . . . . . . . . . 50705 1 1073 . 1 . 1 94 94 ILE HB H 1 1.608 0.020 . 1 . . . . . 458 ILE HB . . . . . . . . . . . . 50705 1 1074 . 1 . 1 94 94 ILE HG12 H 1 1.474 0.020 . 2 . . . . . 458 ILE HG12 . . . . . . . . . . . . 50705 1 1075 . 1 . 1 94 94 ILE HG13 H 1 1.037 0.020 . 2 . . . . . 458 ILE HG13 . . . . . . . . . . . . 50705 1 1076 . 1 . 1 94 94 ILE HG21 H 1 0.784 0.020 . 1 . . . . . 458 ILE HG2 . . . . . . . . . . . . 50705 1 1077 . 1 . 1 94 94 ILE HG22 H 1 0.784 0.020 . 1 . . . . . 458 ILE HG2 . . . . . . . . . . . . 50705 1 1078 . 1 . 1 94 94 ILE HG23 H 1 0.784 0.020 . 1 . . . . . 458 ILE HG2 . . . . . . . . . . . . 50705 1 1079 . 1 . 1 94 94 ILE HD11 H 1 0.832 0.020 . 1 . . . . . 458 ILE HD1 . . . . . . . . . . . . 50705 1 1080 . 1 . 1 94 94 ILE HD12 H 1 0.832 0.020 . 1 . . . . . 458 ILE HD1 . . . . . . . . . . . . 50705 1 1081 . 1 . 1 94 94 ILE HD13 H 1 0.832 0.020 . 1 . . . . . 458 ILE HD1 . . . . . . . . . . . . 50705 1 1082 . 1 . 1 94 94 ILE C C 13 173.954 0.3 . 1 . . . . . 458 ILE C . . . . . . . . . . . . 50705 1 1083 . 1 . 1 94 94 ILE CA C 13 60.286 0.3 . 1 . . . . . 458 ILE CA . . . . . . . . . . . . 50705 1 1084 . 1 . 1 94 94 ILE CB C 13 36.235 0.3 . 1 . . . . . 458 ILE CB . . . . . . . . . . . . 50705 1 1085 . 1 . 1 94 94 ILE CG1 C 13 26.240 0.3 . 1 . . . . . 458 ILE CG1 . . . . . . . . . . . . 50705 1 1086 . 1 . 1 94 94 ILE CG2 C 13 15.079 0.3 . 1 . . . . . 458 ILE CG2 . . . . . . . . . . . . 50705 1 1087 . 1 . 1 94 94 ILE CD1 C 13 9.814 0.3 . 1 . . . . . 458 ILE CD1 . . . . . . . . . . . . 50705 1 1088 . 1 . 1 94 94 ILE N N 15 118.545 0.3 . 1 . . . . . 458 ILE N . . . . . . . . . . . . 50705 1 1089 . 1 . 1 95 95 MET H H 1 8.836 0.020 . 1 . . . . . 459 MET H . . . . . . . . . . . . 50705 1 1090 . 1 . 1 95 95 MET HA H 1 5.240 0.020 . 1 . . . . . 459 MET HA . . . . . . . . . . . . 50705 1 1091 . 1 . 1 95 95 MET HB2 H 1 2.009 0.020 . 1 . . . . . 459 MET HB2 . . . . . . . . . . . . 50705 1 1092 . 1 . 1 95 95 MET HB3 H 1 2.009 0.020 . 1 . . . . . 459 MET HB3 . . . . . . . . . . . . 50705 1 1093 . 1 . 1 95 95 MET HG2 H 1 2.830 0.020 . 2 . . . . . 459 MET HG2 . . . . . . . . . . . . 50705 1 1094 . 1 . 1 95 95 MET HG3 H 1 2.265 0.020 . 2 . . . . . 459 MET HG3 . . . . . . . . . . . . 50705 1 1095 . 1 . 1 95 95 MET HE1 H 1 2.046 0.020 . 1 . . . . . 459 MET HE . . . . . . . . . . . . 50705 1 1096 . 1 . 1 95 95 MET HE2 H 1 2.046 0.020 . 1 . . . . . 459 MET HE . . . . . . . . . . . . 50705 1 1097 . 1 . 1 95 95 MET HE3 H 1 2.046 0.020 . 1 . . . . . 459 MET HE . . . . . . . . . . . . 50705 1 1098 . 1 . 1 95 95 MET C C 13 174.137 0.3 . 1 . . . . . 459 MET C . . . . . . . . . . . . 50705 1 1099 . 1 . 1 95 95 MET CA C 13 52.154 0.3 . 1 . . . . . 459 MET CA . . . . . . . . . . . . 50705 1 1100 . 1 . 1 95 95 MET CB C 13 32.824 0.3 . 1 . . . . . 459 MET CB . . . . . . . . . . . . 50705 1 1101 . 1 . 1 95 95 MET CG C 13 30.317 0.3 . 1 . . . . . 459 MET CG . . . . . . . . . . . . 50705 1 1102 . 1 . 1 95 95 MET CE C 13 15.269 0.3 . 1 . . . . . 459 MET CE . . . . . . . . . . . . 50705 1 1103 . 1 . 1 95 95 MET N N 15 128.084 0.3 . 1 . . . . . 459 MET N . . . . . . . . . . . . 50705 1 1104 . 1 . 1 96 96 GLY H H 1 8.441 0.020 . 1 . . . . . 460 GLY H . . . . . . . . . . . . 50705 1 1105 . 1 . 1 96 96 GLY HA2 H 1 4.200 0.020 . 1 . . . . . 460 GLY HA2 . . . . . . . . . . . . 50705 1 1106 . 1 . 1 96 96 GLY HA3 H 1 4.200 0.020 . 1 . . . . . 460 GLY HA3 . . . . . . . . . . . . 50705 1 1107 . 1 . 1 96 96 GLY C C 13 170.982 0.3 . 1 . . . . . 460 GLY C . . . . . . . . . . . . 50705 1 1108 . 1 . 1 96 96 GLY CA C 13 41.448 0.3 . 1 . . . . . 460 GLY CA . . . . . . . . . . . . 50705 1 1109 . 1 . 1 96 96 GLY N N 15 109.799 0.3 . 1 . . . . . 460 GLY N . . . . . . . . . . . . 50705 1 1110 . 1 . 1 97 97 GLN H H 1 8.643 0.020 . 1 . . . . . 461 GLN H . . . . . . . . . . . . 50705 1 1111 . 1 . 1 97 97 GLN HA H 1 4.234 0.020 . 1 . . . . . 461 GLN HA . . . . . . . . . . . . 50705 1 1112 . 1 . 1 97 97 GLN HB2 H 1 2.143 0.020 . 1 . . . . . 461 GLN HB2 . . . . . . . . . . . . 50705 1 1113 . 1 . 1 97 97 GLN HB3 H 1 2.143 0.020 . 1 . . . . . 461 GLN HB3 . . . . . . . . . . . . 50705 1 1114 . 1 . 1 97 97 GLN HG2 H 1 2.586 0.020 . 1 . . . . . 461 GLN HG2 . . . . . . . . . . . . 50705 1 1115 . 1 . 1 97 97 GLN HG3 H 1 2.586 0.020 . 1 . . . . . 461 GLN HG3 . . . . . . . . . . . . 50705 1 1116 . 1 . 1 97 97 GLN HE21 H 1 7.334 0.020 . 1 . . . . . 461 GLN HE21 . . . . . . . . . . . . 50705 1 1117 . 1 . 1 97 97 GLN HE22 H 1 6.439 0.020 . 1 . . . . . 461 GLN HE22 . . . . . . . . . . . . 50705 1 1118 . 1 . 1 97 97 GLN C C 13 173.697 0.3 . 1 . . . . . 461 GLN C . . . . . . . . . . . . 50705 1 1119 . 1 . 1 97 97 GLN CA C 13 54.407 0.3 . 1 . . . . . 461 GLN CA . . . . . . . . . . . . 50705 1 1120 . 1 . 1 97 97 GLN CB C 13 27.302 0.3 . 1 . . . . . 461 GLN CB . . . . . . . . . . . . 50705 1 1121 . 1 . 1 97 97 GLN CG C 13 31.741 0.3 . 1 . . . . . 461 GLN CG . . . . . . . . . . . . 50705 1 1122 . 1 . 1 97 97 GLN N N 15 120.584 0.3 . 1 . . . . . 461 GLN N . . . . . . . . . . . . 50705 1 1123 . 1 . 1 97 97 GLN NE2 N 15 112.315 0.3 . 1 . . . . . 461 GLN NE2 . . . . . . . . . . . . 50705 1 1124 . 1 . 1 98 98 LEU H H 1 8.639 0.020 . 1 . . . . . 462 LEU H . . . . . . . . . . . . 50705 1 1125 . 1 . 1 98 98 LEU HA H 1 4.261 0.020 . 1 . . . . . 462 LEU HA . . . . . . . . . . . . 50705 1 1126 . 1 . 1 98 98 LEU HB2 H 1 2.078 0.020 . 2 . . . . . 462 LEU HB2 . . . . . . . . . . . . 50705 1 1127 . 1 . 1 98 98 LEU HB3 H 1 1.815 0.020 . 2 . . . . . 462 LEU HB3 . . . . . . . . . . . . 50705 1 1128 . 1 . 1 98 98 LEU HG H 1 1.012 0.020 . 1 . . . . . 462 LEU HG . . . . . . . . . . . . 50705 1 1129 . 1 . 1 98 98 LEU HD11 H 1 1.046 0.020 . 2 . . . . . 462 LEU HD1 . . . . . . . . . . . . 50705 1 1130 . 1 . 1 98 98 LEU HD12 H 1 1.046 0.020 . 2 . . . . . 462 LEU HD1 . . . . . . . . . . . . 50705 1 1131 . 1 . 1 98 98 LEU HD13 H 1 1.046 0.020 . 2 . . . . . 462 LEU HD1 . . . . . . . . . . . . 50705 1 1132 . 1 . 1 98 98 LEU HD21 H 1 0.980 0.020 . 2 . . . . . 462 LEU HD2 . . . . . . . . . . . . 50705 1 1133 . 1 . 1 98 98 LEU HD22 H 1 0.980 0.020 . 2 . . . . . 462 LEU HD2 . . . . . . . . . . . . 50705 1 1134 . 1 . 1 98 98 LEU HD23 H 1 0.980 0.020 . 2 . . . . . 462 LEU HD2 . . . . . . . . . . . . 50705 1 1135 . 1 . 1 98 98 LEU C C 13 177.365 0.3 . 1 . . . . . 462 LEU C . . . . . . . . . . . . 50705 1 1136 . 1 . 1 98 98 LEU CA C 13 54.130 0.3 . 1 . . . . . 462 LEU CA . . . . . . . . . . . . 50705 1 1137 . 1 . 1 98 98 LEU CB C 13 42.635 0.3 . 1 . . . . . 462 LEU CB . . . . . . . . . . . . 50705 1 1138 . 1 . 1 98 98 LEU CG C 13 26.589 0.3 . 1 . . . . . 462 LEU CG . . . . . . . . . . . . 50705 1 1139 . 1 . 1 98 98 LEU CD1 C 13 23.242 0.3 . 1 . . . . . 462 LEU CD1 . . . . . . . . . . . . 50705 1 1140 . 1 . 1 98 98 LEU CD2 C 13 23.242 0.3 . 1 . . . . . 462 LEU CD2 . . . . . . . . . . . . 50705 1 1141 . 1 . 1 98 98 LEU N N 15 124.468 0.3 . 1 . . . . . 462 LEU N . . . . . . . . . . . . 50705 1 1142 . 1 . 1 99 99 TRP H H 1 8.819 0.020 . 1 . . . . . 463 TRP H . . . . . . . . . . . . 50705 1 1143 . 1 . 1 99 99 TRP HA H 1 5.229 0.020 . 1 . . . . . 463 TRP HA . . . . . . . . . . . . 50705 1 1144 . 1 . 1 99 99 TRP HB2 H 1 3.739 0.020 . 2 . . . . . 463 TRP HB2 . . . . . . . . . . . . 50705 1 1145 . 1 . 1 99 99 TRP HB3 H 1 3.209 0.020 . 2 . . . . . 463 TRP HB3 . . . . . . . . . . . . 50705 1 1146 . 1 . 1 99 99 TRP HD1 H 1 7.096 0.020 . 1 . . . . . 463 TRP HD1 . . . . . . . . . . . . 50705 1 1147 . 1 . 1 99 99 TRP HE1 H 1 10.003 0.020 . 1 . . . . . 463 TRP HE1 . . . . . . . . . . . . 50705 1 1148 . 1 . 1 99 99 TRP HZ2 H 1 7.211 0.020 . 1 . . . . . 463 TRP HZ2 . . . . . . . . . . . . 50705 1 1149 . 1 . 1 99 99 TRP HH2 H 1 7.018 0.020 . 1 . . . . . 463 TRP HH2 . . . . . . . . . . . . 50705 1 1150 . 1 . 1 99 99 TRP C C 13 171.569 0.3 . 1 . . . . . 463 TRP C . . . . . . . . . . . . 50705 1 1151 . 1 . 1 99 99 TRP CA C 13 52.956 0.3 . 1 . . . . . 463 TRP CA . . . . . . . . . . . . 50705 1 1152 . 1 . 1 99 99 TRP CB C 13 25.928 0.3 . 1 . . . . . 463 TRP CB . . . . . . . . . . . . 50705 1 1153 . 1 . 1 99 99 TRP CD1 C 13 122.149 0.3 . 1 . . . . . 463 TRP CD1 . . . . . . . . . . . . 50705 1 1154 . 1 . 1 99 99 TRP CZ2 C 13 111.113 0.3 . 1 . . . . . 463 TRP CZ2 . . . . . . . . . . . . 50705 1 1155 . 1 . 1 99 99 TRP CH2 C 13 121.397 0.3 . 1 . . . . . 463 TRP CH2 . . . . . . . . . . . . 50705 1 1156 . 1 . 1 99 99 TRP N N 15 125.578 0.3 . 1 . . . . . 463 TRP N . . . . . . . . . . . . 50705 1 1157 . 1 . 1 99 99 TRP NE1 N 15 128.085 0.3 . 1 . . . . . 463 TRP NE1 . . . . . . . . . . . . 50705 1 1158 . 1 . 1 100 100 GLY H H 1 7.226 0.020 . 1 . . . . . 464 GLY H . . . . . . . . . . . . 50705 1 1159 . 1 . 1 100 100 GLY HA2 H 1 4.476 0.020 . 2 . . . . . 464 GLY HA2 . . . . . . . . . . . . 50705 1 1160 . 1 . 1 100 100 GLY HA3 H 1 3.768 0.020 . 2 . . . . . 464 GLY HA3 . . . . . . . . . . . . 50705 1 1161 . 1 . 1 100 100 GLY C C 13 173.477 0.3 . 1 . . . . . 464 GLY C . . . . . . . . . . . . 50705 1 1162 . 1 . 1 100 100 GLY CA C 13 44.157 0.3 . 1 . . . . . 464 GLY CA . . . . . . . . . . . . 50705 1 1163 . 1 . 1 100 100 GLY N N 15 105.728 0.3 . 1 . . . . . 464 GLY N . . . . . . . . . . . . 50705 1 1164 . 1 . 1 101 101 ASP H H 1 8.053 0.020 . 1 . . . . . 465 ASP H . . . . . . . . . . . . 50705 1 1165 . 1 . 1 101 101 ASP HA H 1 4.972 0.020 . 1 . . . . . 465 ASP HA . . . . . . . . . . . . 50705 1 1166 . 1 . 1 101 101 ASP HB2 H 1 2.585 0.020 . 2 . . . . . 465 ASP HB2 . . . . . . . . . . . . 50705 1 1167 . 1 . 1 101 101 ASP HB3 H 1 2.273 0.020 . 2 . . . . . 465 ASP HB3 . . . . . . . . . . . . 50705 1 1168 . 1 . 1 101 101 ASP C C 13 171.716 0.3 . 1 . . . . . 465 ASP C . . . . . . . . . . . . 50705 1 1169 . 1 . 1 101 101 ASP CA C 13 50.726 0.3 . 1 . . . . . 465 ASP CA . . . . . . . . . . . . 50705 1 1170 . 1 . 1 101 101 ASP CB C 13 41.961 0.3 . 1 . . . . . 465 ASP CB . . . . . . . . . . . . 50705 1 1171 . 1 . 1 101 101 ASP N N 15 117.914 0.3 . 1 . . . . . 465 ASP N . . . . . . . . . . . . 50705 1 1172 . 1 . 1 102 102 ILE H H 1 8.317 0.020 . 1 . . . . . 466 ILE H . . . . . . . . . . . . 50705 1 1173 . 1 . 1 102 102 ILE HA H 1 5.355 0.020 . 1 . . . . . 466 ILE HA . . . . . . . . . . . . 50705 1 1174 . 1 . 1 102 102 ILE HB H 1 1.687 0.020 . 1 . . . . . 466 ILE HB . . . . . . . . . . . . 50705 1 1175 . 1 . 1 102 102 ILE HG12 H 1 1.785 0.020 . 2 . . . . . 466 ILE HG12 . . . . . . . . . . . . 50705 1 1176 . 1 . 1 102 102 ILE HG13 H 1 1.349 0.020 . 2 . . . . . 466 ILE HG13 . . . . . . . . . . . . 50705 1 1177 . 1 . 1 102 102 ILE HG21 H 1 1.006 0.020 . 1 . . . . . 466 ILE HG2 . . . . . . . . . . . . 50705 1 1178 . 1 . 1 102 102 ILE HG22 H 1 1.006 0.020 . 1 . . . . . 466 ILE HG2 . . . . . . . . . . . . 50705 1 1179 . 1 . 1 102 102 ILE HG23 H 1 1.006 0.020 . 1 . . . . . 466 ILE HG2 . . . . . . . . . . . . 50705 1 1180 . 1 . 1 102 102 ILE HD11 H 1 1.063 0.020 . 1 . . . . . 466 ILE HD1 . . . . . . . . . . . . 50705 1 1181 . 1 . 1 102 102 ILE HD12 H 1 1.063 0.020 . 1 . . . . . 466 ILE HD1 . . . . . . . . . . . . 50705 1 1182 . 1 . 1 102 102 ILE HD13 H 1 1.063 0.020 . 1 . . . . . 466 ILE HD1 . . . . . . . . . . . . 50705 1 1183 . 1 . 1 102 102 ILE C C 13 173.000 0.3 . 1 . . . . . 466 ILE C . . . . . . . . . . . . 50705 1 1184 . 1 . 1 102 102 ILE CA C 13 57.735 0.3 . 1 . . . . . 466 ILE CA . . . . . . . . . . . . 50705 1 1185 . 1 . 1 102 102 ILE CB C 13 38.068 0.3 . 1 . . . . . 466 ILE CB . . . . . . . . . . . . 50705 1 1186 . 1 . 1 102 102 ILE CG1 C 13 27.309 0.3 . 1 . . . . . 466 ILE CG1 . . . . . . . . . . . . 50705 1 1187 . 1 . 1 102 102 ILE CG2 C 13 16.008 0.3 . 1 . . . . . 466 ILE CG2 . . . . . . . . . . . . 50705 1 1188 . 1 . 1 102 102 ILE CD1 C 13 11.327 0.3 . 1 . . . . . 466 ILE CD1 . . . . . . . . . . . . 50705 1 1189 . 1 . 1 102 102 ILE N N 15 121.047 0.3 . 1 . . . . . 466 ILE N . . . . . . . . . . . . 50705 1 1190 . 1 . 1 103 103 TYR H H 1 8.919 0.020 . 1 . . . . . 467 TYR H . . . . . . . . . . . . 50705 1 1191 . 1 . 1 103 103 TYR HA H 1 4.541 0.020 . 1 . . . . . 467 TYR HA . . . . . . . . . . . . 50705 1 1192 . 1 . 1 103 103 TYR HB2 H 1 2.947 0.020 . 1 . . . . . 467 TYR HB2 . . . . . . . . . . . . 50705 1 1193 . 1 . 1 103 103 TYR HB3 H 1 2.947 0.020 . 1 . . . . . 467 TYR HB3 . . . . . . . . . . . . 50705 1 1194 . 1 . 1 103 103 TYR HD1 H 1 6.835 0.020 . 1 . . . . . 467 TYR HD1 . . . . . . . . . . . . 50705 1 1195 . 1 . 1 103 103 TYR HD2 H 1 6.835 0.020 . 1 . . . . . 467 TYR HD2 . . . . . . . . . . . . 50705 1 1196 . 1 . 1 103 103 TYR HE1 H 1 6.581 0.020 . 1 . . . . . 467 TYR HE1 . . . . . . . . . . . . 50705 1 1197 . 1 . 1 103 103 TYR HE2 H 1 6.581 0.020 . 1 . . . . . 467 TYR HE2 . . . . . . . . . . . . 50705 1 1198 . 1 . 1 103 103 TYR C C 13 176.265 0.3 . 1 . . . . . 467 TYR C . . . . . . . . . . . . 50705 1 1199 . 1 . 1 103 103 TYR CA C 13 56.055 0.3 . 1 . . . . . 467 TYR CA . . . . . . . . . . . . 50705 1 1200 . 1 . 1 103 103 TYR CB C 13 37.380 0.3 . 1 . . . . . 467 TYR CB . . . . . . . . . . . . 50705 1 1201 . 1 . 1 103 103 TYR CD1 C 13 130.931 0.3 . 1 . . . . . 467 TYR CD1 . . . . . . . . . . . . 50705 1 1202 . 1 . 1 103 103 TYR CD2 C 13 130.931 0.3 . 1 . . . . . 467 TYR CD2 . . . . . . . . . . . . 50705 1 1203 . 1 . 1 103 103 TYR CE1 C 13 114.686 0.3 . 1 . . . . . 467 TYR CE1 . . . . . . . . . . . . 50705 1 1204 . 1 . 1 103 103 TYR CE2 C 13 114.686 0.3 . 1 . . . . . 467 TYR CE2 . . . . . . . . . . . . 50705 1 1205 . 1 . 1 103 103 TYR N N 15 132.148 0.3 . 1 . . . . . 467 TYR N . . . . . . . . . . . . 50705 1 stop_ save_