data_30137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30137 _Entry.Title ; Structure of the C-terminal transmembrane domain of scavenger receptor BI (SR-BI) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-11 _Entry.Accession_date 2016-07-11 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Chadwick A. C. . . 30137 2 F. Peterson F. C. . . 30137 3 B. Volkman B. F. . . 30137 4 D. Sahoo D. . . . 30137 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIGNALING PROTEIN' . 30137 SR-BI . 30137 cholesterol . 30137 'transmembrane domain' . 30137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 30137 '15N chemical shifts' 68 30137 '1H chemical shifts' 496 30137 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-15 2016-07-11 update author 'update chemical shift table' 30137 1 . . 2017-03-02 2016-07-11 original author 'original release' 30137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KTF 'BMRB Entry Tracking System' 30137 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of the C-terminal transmembrane domain and identification of an extracellular juxtamembrane domain in the high density lipoprotein receptor, scavenger receptor BI (SR-BI) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 A. Chadwick A. C. . . 30137 1 2 D. Jensen D. R. . . 30137 1 3 P. Hanson P. J. . . 30137 1 4 P. Lange P. T. . . 30137 1 5 F. Peterson F. C. . . 30137 1 6 B. Volkman B. F. . . 30137 1 7 D. Sahoo D. . . . 30137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30137 _Assembly.ID 1 _Assembly.Name 'Scavenger receptor class B member 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30137 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKIEPVVLPLLWFEQSGAM GGKPLSTFYTQLVLMPQVLH YAQYVLLGLGGLLLLVPIIC QLRSQEKCFLFWS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8185.792 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SR-BI na 30137 1 SRB1 na 30137 1 stop_ 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 1 403 GLY . 30137 1 2 404 SER . 30137 1 3 405 LYS . 30137 1 4 406 ILE . 30137 1 5 407 GLU . 30137 1 6 408 PRO . 30137 1 7 409 VAL . 30137 1 8 410 VAL . 30137 1 9 411 LEU . 30137 1 10 412 PRO . 30137 1 11 413 LEU . 30137 1 12 414 LEU . 30137 1 13 415 TRP . 30137 1 14 416 PHE . 30137 1 15 417 GLU . 30137 1 16 418 GLN . 30137 1 17 419 SER . 30137 1 18 420 GLY . 30137 1 19 421 ALA . 30137 1 20 422 MET . 30137 1 21 423 GLY . 30137 1 22 424 GLY . 30137 1 23 425 LYS . 30137 1 24 426 PRO . 30137 1 25 427 LEU . 30137 1 26 428 SER . 30137 1 27 429 THR . 30137 1 28 430 PHE . 30137 1 29 431 TYR . 30137 1 30 432 THR . 30137 1 31 433 GLN . 30137 1 32 434 LEU . 30137 1 33 435 VAL . 30137 1 34 436 LEU . 30137 1 35 437 MET . 30137 1 36 438 PRO . 30137 1 37 439 GLN . 30137 1 38 440 VAL . 30137 1 39 441 LEU . 30137 1 40 442 HIS . 30137 1 41 443 TYR . 30137 1 42 444 ALA . 30137 1 43 445 GLN . 30137 1 44 446 TYR . 30137 1 45 447 VAL . 30137 1 46 448 LEU . 30137 1 47 449 LEU . 30137 1 48 450 GLY . 30137 1 49 451 LEU . 30137 1 50 452 GLY . 30137 1 51 453 GLY . 30137 1 52 454 LEU . 30137 1 53 455 LEU . 30137 1 54 456 LEU . 30137 1 55 457 LEU . 30137 1 56 458 VAL . 30137 1 57 459 PRO . 30137 1 58 460 ILE . 30137 1 59 461 ILE . 30137 1 60 462 CYS . 30137 1 61 463 GLN . 30137 1 62 464 LEU . 30137 1 63 465 ARG . 30137 1 64 466 SER . 30137 1 65 467 GLN . 30137 1 66 468 GLU . 30137 1 67 469 LYS . 30137 1 68 470 CYS . 30137 1 69 471 PHE . 30137 1 70 472 LEU . 30137 1 71 473 PHE . 30137 1 72 474 TRP . 30137 1 73 475 SER . 30137 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 30137 1 . SER 2 2 30137 1 . LYS 3 3 30137 1 . ILE 4 4 30137 1 . GLU 5 5 30137 1 . PRO 6 6 30137 1 . VAL 7 7 30137 1 . VAL 8 8 30137 1 . LEU 9 9 30137 1 . PRO 10 10 30137 1 . LEU 11 11 30137 1 . LEU 12 12 30137 1 . TRP 13 13 30137 1 . PHE 14 14 30137 1 . GLU 15 15 30137 1 . GLN 16 16 30137 1 . SER 17 17 30137 1 . GLY 18 18 30137 1 . ALA 19 19 30137 1 . MET 20 20 30137 1 . GLY 21 21 30137 1 . GLY 22 22 30137 1 . LYS 23 23 30137 1 . PRO 24 24 30137 1 . LEU 25 25 30137 1 . SER 26 26 30137 1 . THR 27 27 30137 1 . PHE 28 28 30137 1 . TYR 29 29 30137 1 . THR 30 30 30137 1 . GLN 31 31 30137 1 . LEU 32 32 30137 1 . VAL 33 33 30137 1 . LEU 34 34 30137 1 . MET 35 35 30137 1 . PRO 36 36 30137 1 . GLN 37 37 30137 1 . VAL 38 38 30137 1 . LEU 39 39 30137 1 . HIS 40 40 30137 1 . TYR 41 41 30137 1 . ALA 42 42 30137 1 . GLN 43 43 30137 1 . TYR 44 44 30137 1 . VAL 45 45 30137 1 . LEU 46 46 30137 1 . LEU 47 47 30137 1 . GLY 48 48 30137 1 . LEU 49 49 30137 1 . GLY 50 50 30137 1 . GLY 51 51 30137 1 . LEU 52 52 30137 1 . LEU 53 53 30137 1 . LEU 54 54 30137 1 . LEU 55 55 30137 1 . VAL 56 56 30137 1 . PRO 57 57 30137 1 . ILE 58 58 30137 1 . ILE 59 59 30137 1 . CYS 60 60 30137 1 . GLN 61 61 30137 1 . LEU 62 62 30137 1 . ARG 63 63 30137 1 . SER 64 64 30137 1 . GLN 65 65 30137 1 . GLU 66 66 30137 1 . LYS 67 67 30137 1 . CYS 68 68 30137 1 . PHE 69 69 30137 1 . LEU 70 70 30137 1 . PHE 71 71 30137 1 . TRP 72 72 30137 1 . SER 73 73 30137 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30137 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Scarb1, Srb1' . 30137 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30137 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli BL21-[pREP4] . . plasmid . . pQE30-SMT . . . 30137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30137 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] scavenger receptor BI (SR-BI), 5.0 w/v [U-2H] LPPG, 0.02 w/v sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LPPG [U-2H] . . . . . . 5.0 . . w/v . . . . 30137 1 2 'scavenger receptor BI (SR-BI)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30137 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 30137 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30137 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 30137 1 pressure 1 . atm 30137 1 temperature 313 . K 30137 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30137 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30137 1 'structure calculation' 30137 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30137 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30137 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30137 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30137 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30137 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30137 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30137 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30137 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30137 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30137 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30137 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30137 5 'peak picking' 30137 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30137 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30137 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30137 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 500 . . . 30137 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 30137 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30137 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30137 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30137 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30137 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30137 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30137 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30137 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30137 1 2 '3D 1H-13C NOESY aliphatic' . . . 30137 1 3 '3D 1H-13C NOESY aromatic' . . . 30137 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 5 $software_5 . . 30137 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.184 0.020 . 1 . . . A 404 SER H . 30137 1 2 . 1 1 2 2 SER HA H 1 4.637 0.020 . 1 . . . A 404 SER HA . 30137 1 3 . 1 1 2 2 SER HB2 H 1 4.014 0.020 . 2 . . . A 404 SER HB2 . 30137 1 4 . 1 1 2 2 SER HB3 H 1 3.884 0.020 . 2 . . . A 404 SER HB3 . 30137 1 5 . 1 1 2 2 SER C C 13 174.707 0.100 . 1 . . . A 404 SER C . 30137 1 6 . 1 1 2 2 SER CA C 13 58.693 0.100 . 1 . . . A 404 SER CA . 30137 1 7 . 1 1 2 2 SER CB C 13 64.841 0.100 . 1 . . . A 404 SER CB . 30137 1 8 . 1 1 2 2 SER N N 15 121.014 0.100 . 1 . . . A 404 SER N . 30137 1 9 . 1 1 3 3 LYS H H 1 8.666 0.020 . 1 . . . A 405 LYS H . 30137 1 10 . 1 1 3 3 LYS HA H 1 4.367 0.020 . 1 . . . A 405 LYS HA . 30137 1 11 . 1 1 3 3 LYS HB2 H 1 1.919 0.020 . 2 . . . A 405 LYS HB2 . 30137 1 12 . 1 1 3 3 LYS HB3 H 1 1.855 0.020 . 2 . . . A 405 LYS HB3 . 30137 1 13 . 1 1 3 3 LYS HG2 H 1 1.555 0.020 . 1 . . . A 405 LYS HG2 . 30137 1 14 . 1 1 3 3 LYS HG3 H 1 1.555 0.020 . 1 . . . A 405 LYS HG3 . 30137 1 15 . 1 1 3 3 LYS HD2 H 1 1.756 0.020 . 2 . . . A 405 LYS HD2 . 30137 1 16 . 1 1 3 3 LYS HD3 H 1 1.689 0.020 . 2 . . . A 405 LYS HD3 . 30137 1 17 . 1 1 3 3 LYS HE2 H 1 3.055 0.020 . 1 . . . A 405 LYS HE2 . 30137 1 18 . 1 1 3 3 LYS HE3 H 1 3.017 0.020 . 1 . . . A 405 LYS HE3 . 30137 1 19 . 1 1 3 3 LYS C C 13 176.350 0.100 . 1 . . . A 405 LYS C . 30137 1 20 . 1 1 3 3 LYS CA C 13 57.853 0.100 . 1 . . . A 405 LYS CA . 30137 1 21 . 1 1 3 3 LYS CB C 13 33.690 0.100 . 1 . . . A 405 LYS CB . 30137 1 22 . 1 1 3 3 LYS CG C 13 25.366 0.100 . 1 . . . A 405 LYS CG . 30137 1 23 . 1 1 3 3 LYS CD C 13 29.249 0.100 . 1 . . . A 405 LYS CD . 30137 1 24 . 1 1 3 3 LYS CE C 13 42.191 0.100 . 1 . . . A 405 LYS CE . 30137 1 25 . 1 1 3 3 LYS N N 15 123.521 0.100 . 1 . . . A 405 LYS N . 30137 1 26 . 1 1 4 4 ILE H H 1 7.884 0.020 . 1 . . . A 406 ILE H . 30137 1 27 . 1 1 4 4 ILE HA H 1 4.295 0.020 . 1 . . . A 406 ILE HA . 30137 1 28 . 1 1 4 4 ILE HB H 1 1.944 0.020 . 1 . . . A 406 ILE HB . 30137 1 29 . 1 1 4 4 ILE HG12 H 1 1.522 0.020 . 2 . . . A 406 ILE HG12 . 30137 1 30 . 1 1 4 4 ILE HG13 H 1 1.250 0.020 . 2 . . . A 406 ILE HG13 . 30137 1 31 . 1 1 4 4 ILE HG21 H 1 0.934 0.020 . 1 . . . A 406 ILE HG21 . 30137 1 32 . 1 1 4 4 ILE HG22 H 1 0.934 0.020 . 1 . . . A 406 ILE HG22 . 30137 1 33 . 1 1 4 4 ILE HG23 H 1 0.934 0.020 . 1 . . . A 406 ILE HG23 . 30137 1 34 . 1 1 4 4 ILE HD11 H 1 0.908 0.020 . 1 . . . A 406 ILE HD11 . 30137 1 35 . 1 1 4 4 ILE HD12 H 1 0.908 0.020 . 1 . . . A 406 ILE HD12 . 30137 1 36 . 1 1 4 4 ILE HD13 H 1 0.908 0.020 . 1 . . . A 406 ILE HD13 . 30137 1 37 . 1 1 4 4 ILE C C 13 175.987 0.100 . 1 . . . A 406 ILE C . 30137 1 38 . 1 1 4 4 ILE CA C 13 61.281 0.100 . 1 . . . A 406 ILE CA . 30137 1 39 . 1 1 4 4 ILE CB C 13 39.423 0.100 . 1 . . . A 406 ILE CB . 30137 1 40 . 1 1 4 4 ILE CG1 C 13 27.954 0.100 . 1 . . . A 406 ILE CG1 . 30137 1 41 . 1 1 4 4 ILE CG2 C 13 18.571 0.100 . 1 . . . A 406 ILE CG2 . 30137 1 42 . 1 1 4 4 ILE CD1 C 13 13.717 0.100 . 1 . . . A 406 ILE CD1 . 30137 1 43 . 1 1 4 4 ILE N N 15 116.110 0.100 . 1 . . . A 406 ILE N . 30137 1 44 . 1 1 5 5 GLU H H 1 8.009 0.020 . 1 . . . A 407 GLU H . 30137 1 45 . 1 1 5 5 GLU HA H 1 4.359 0.020 . 1 . . . A 407 GLU HA . 30137 1 46 . 1 1 5 5 GLU HB2 H 1 2.139 0.020 . 2 . . . A 407 GLU HB2 . 30137 1 47 . 1 1 5 5 GLU HB3 H 1 2.139 0.020 . 2 . . . A 407 GLU HB3 . 30137 1 48 . 1 1 5 5 GLU HG2 H 1 2.361 0.020 . 1 . . . A 407 GLU HG2 . 30137 1 49 . 1 1 5 5 GLU HG3 H 1 2.361 0.020 . 1 . . . A 407 GLU HG3 . 30137 1 50 . 1 1 5 5 GLU CA C 13 58.693 0.100 . 1 . . . A 407 GLU CA . 30137 1 51 . 1 1 5 5 GLU CB C 13 29.249 0.100 . 1 . . . A 407 GLU CB . 30137 1 52 . 1 1 5 5 GLU CG C 13 36.691 0.100 . 1 . . . A 407 GLU CG . 30137 1 53 . 1 1 5 5 GLU N N 15 124.306 0.100 . 1 . . . A 407 GLU N . 30137 1 54 . 1 1 6 6 PRO HA H 1 4.399 0.020 . 1 . . . A 408 PRO HA . 30137 1 55 . 1 1 6 6 PRO HB2 H 1 2.341 0.020 . 2 . . . A 408 PRO HB2 . 30137 1 56 . 1 1 6 6 PRO HB3 H 1 1.877 0.020 . 2 . . . A 408 PRO HB3 . 30137 1 57 . 1 1 6 6 PRO HG2 H 1 2.060 0.020 . 2 . . . A 408 PRO HG2 . 30137 1 58 . 1 1 6 6 PRO HD2 H 1 3.691 0.020 . 2 . . . A 408 PRO HD2 . 30137 1 59 . 1 1 6 6 PRO HD3 H 1 3.799 0.020 . 2 . . . A 408 PRO HD3 . 30137 1 60 . 1 1 6 6 PRO C C 13 176.657 0.100 . 1 . . . A 408 PRO C . 30137 1 61 . 1 1 6 6 PRO CA C 13 65.434 0.100 . 1 . . . A 408 PRO CA . 30137 1 62 . 1 1 6 6 PRO CB C 13 32.808 0.100 . 1 . . . A 408 PRO CB . 30137 1 63 . 1 1 6 6 PRO CG C 13 28.602 0.100 . 1 . . . A 408 PRO CG . 30137 1 64 . 1 1 6 6 PRO CD C 13 50.604 0.100 . 1 . . . A 408 PRO CD . 30137 1 65 . 1 1 7 7 VAL H H 1 7.479 0.020 . 1 . . . A 409 VAL H . 30137 1 66 . 1 1 7 7 VAL HA H 1 3.937 0.020 . 1 . . . A 409 VAL HA . 30137 1 67 . 1 1 7 7 VAL HB H 1 2.199 0.020 . 1 . . . A 409 VAL HB . 30137 1 68 . 1 1 7 7 VAL HG11 H 1 0.925 0.020 . 1 . . . A 409 VAL HG11 . 30137 1 69 . 1 1 7 7 VAL HG12 H 1 0.925 0.020 . 1 . . . A 409 VAL HG12 . 30137 1 70 . 1 1 7 7 VAL HG13 H 1 0.925 0.020 . 1 . . . A 409 VAL HG13 . 30137 1 71 . 1 1 7 7 VAL C C 13 175.325 0.100 . 1 . . . A 409 VAL C . 30137 1 72 . 1 1 7 7 VAL CA C 13 63.870 0.100 . 1 . . . A 409 VAL CA . 30137 1 73 . 1 1 7 7 VAL CB C 13 32.465 0.100 . 1 . . . A 409 VAL CB . 30137 1 74 . 1 1 7 7 VAL CG1 C 13 21.807 0.100 . 1 . . . A 409 VAL CG1 . 30137 1 75 . 1 1 7 7 VAL N N 15 112.908 0.100 . 1 . . . A 409 VAL N . 30137 1 76 . 1 1 8 8 VAL H H 1 7.603 0.020 . 1 . . . A 410 VAL H . 30137 1 77 . 1 1 8 8 VAL HA H 1 4.085 0.020 . 1 . . . A 410 VAL HA . 30137 1 78 . 1 1 8 8 VAL HB H 1 2.258 0.020 . 1 . . . A 410 VAL HB . 30137 1 79 . 1 1 8 8 VAL HG11 H 1 1.027 0.020 . 2 . . . A 410 VAL HG11 . 30137 1 80 . 1 1 8 8 VAL HG12 H 1 1.027 0.020 . 2 . . . A 410 VAL HG12 . 30137 1 81 . 1 1 8 8 VAL HG13 H 1 1.027 0.020 . 2 . . . A 410 VAL HG13 . 30137 1 82 . 1 1 8 8 VAL HG21 H 1 1.021 0.020 . 2 . . . A 410 VAL HG21 . 30137 1 83 . 1 1 8 8 VAL HG22 H 1 1.021 0.020 . 2 . . . A 410 VAL HG22 . 30137 1 84 . 1 1 8 8 VAL HG23 H 1 1.021 0.020 . 2 . . . A 410 VAL HG23 . 30137 1 85 . 1 1 8 8 VAL C C 13 177.085 0.100 . 1 . . . A 410 VAL C . 30137 1 86 . 1 1 8 8 VAL CA C 13 63.546 0.100 . 1 . . . A 410 VAL CA . 30137 1 87 . 1 1 8 8 VAL CB C 13 32.980 0.100 . 1 . . . A 410 VAL CB . 30137 1 88 . 1 1 8 8 VAL CG2 C 13 22.130 0.100 . 1 . . . A 410 VAL CG2 . 30137 1 89 . 1 1 8 8 VAL N N 15 115.875 0.100 . 1 . . . A 410 VAL N . 30137 1 90 . 1 1 9 9 LEU H H 1 7.931 0.020 . 1 . . . A 411 LEU H . 30137 1 91 . 1 1 9 9 LEU HA H 1 4.281 0.020 . 1 . . . A 411 LEU HA . 30137 1 92 . 1 1 9 9 LEU HB2 H 1 1.409 0.020 . 2 . . . A 411 LEU HB2 . 30137 1 93 . 1 1 9 9 LEU HB3 H 1 1.832 0.020 . 2 . . . A 411 LEU HB3 . 30137 1 94 . 1 1 9 9 LEU HG H 1 1.702 0.020 . 1 . . . A 411 LEU HG . 30137 1 95 . 1 1 9 9 LEU HD11 H 1 0.973 0.020 . 2 . . . A 411 LEU HD11 . 30137 1 96 . 1 1 9 9 LEU HD12 H 1 0.973 0.020 . 2 . . . A 411 LEU HD12 . 30137 1 97 . 1 1 9 9 LEU HD13 H 1 0.973 0.020 . 2 . . . A 411 LEU HD13 . 30137 1 98 . 1 1 9 9 LEU HD21 H 1 0.916 0.020 . 2 . . . A 411 LEU HD21 . 30137 1 99 . 1 1 9 9 LEU HD22 H 1 0.916 0.020 . 2 . . . A 411 LEU HD22 . 30137 1 100 . 1 1 9 9 LEU HD23 H 1 0.916 0.020 . 2 . . . A 411 LEU HD23 . 30137 1 101 . 1 1 9 9 LEU CA C 13 58.369 0.100 . 1 . . . A 411 LEU CA . 30137 1 102 . 1 1 9 9 LEU CB C 13 40.573 0.100 . 1 . . . A 411 LEU CB . 30137 1 103 . 1 1 9 9 LEU N N 15 121.711 0.100 . 1 . . . A 411 LEU N . 30137 1 104 . 1 1 10 10 PRO HA H 1 4.360 0.020 . 1 . . . A 412 PRO HA . 30137 1 105 . 1 1 10 10 PRO HB2 H 1 2.224 0.020 . 1 . . . A 412 PRO HB2 . 30137 1 106 . 1 1 10 10 PRO HB3 H 1 2.224 0.020 . 1 . . . A 412 PRO HB3 . 30137 1 107 . 1 1 10 10 PRO HD2 H 1 3.604 0.020 . 1 . . . A 412 PRO HD2 . 30137 1 108 . 1 1 10 10 PRO HD3 H 1 3.604 0.020 . 1 . . . A 412 PRO HD3 . 30137 1 109 . 1 1 10 10 PRO C C 13 177.602 0.100 . 1 . . . A 412 PRO C . 30137 1 110 . 1 1 10 10 PRO CA C 13 65.488 0.100 . 1 . . . A 412 PRO CA . 30137 1 111 . 1 1 10 10 PRO CB C 13 31.514 0.100 . 1 . . . A 412 PRO CB . 30137 1 112 . 1 1 10 10 PRO CD C 13 50.280 0.100 . 1 . . . A 412 PRO CD . 30137 1 113 . 1 1 11 11 LEU H H 1 7.437 0.020 . 1 . . . A 413 LEU H . 30137 1 114 . 1 1 11 11 LEU HA H 1 4.262 0.020 . 1 . . . A 413 LEU HA . 30137 1 115 . 1 1 11 11 LEU HB2 H 1 1.919 0.020 . 1 . . . A 413 LEU HB2 . 30137 1 116 . 1 1 11 11 LEU HB3 H 1 1.919 0.020 . 1 . . . A 413 LEU HB3 . 30137 1 117 . 1 1 11 11 LEU HG H 1 1.865 0.020 . 1 . . . A 413 LEU HG . 30137 1 118 . 1 1 11 11 LEU HD11 H 1 1.009 0.020 . 1 . . . A 413 LEU HD11 . 30137 1 119 . 1 1 11 11 LEU HD12 H 1 1.009 0.020 . 1 . . . A 413 LEU HD12 . 30137 1 120 . 1 1 11 11 LEU HD13 H 1 1.009 0.020 . 1 . . . A 413 LEU HD13 . 30137 1 121 . 1 1 11 11 LEU HD21 H 1 1.010 0.020 . 1 . . . A 413 LEU HD21 . 30137 1 122 . 1 1 11 11 LEU HD22 H 1 1.010 0.020 . 1 . . . A 413 LEU HD22 . 30137 1 123 . 1 1 11 11 LEU HD23 H 1 1.010 0.020 . 1 . . . A 413 LEU HD23 . 30137 1 124 . 1 1 11 11 LEU C C 13 178.820 0.100 . 1 . . . A 413 LEU C . 30137 1 125 . 1 1 11 11 LEU CA C 13 58.046 0.100 . 1 . . . A 413 LEU CA . 30137 1 126 . 1 1 11 11 LEU CB C 13 42.162 0.100 . 1 . . . A 413 LEU CB . 30137 1 127 . 1 1 11 11 LEU CG C 13 27.954 0.100 . 1 . . . A 413 LEU CG . 30137 1 128 . 1 1 11 11 LEU CD1 C 13 25.690 0.100 . 1 . . . A 413 LEU CD1 . 30137 1 129 . 1 1 11 11 LEU CD2 C 13 25.042 0.100 . 1 . . . A 413 LEU CD2 . 30137 1 130 . 1 1 11 11 LEU N N 15 116.795 0.100 . 1 . . . A 413 LEU N . 30137 1 131 . 1 1 12 12 LEU H H 1 8.018 0.020 . 1 . . . A 414 LEU H . 30137 1 132 . 1 1 12 12 LEU HA H 1 4.190 0.020 . 1 . . . A 414 LEU HA . 30137 1 133 . 1 1 12 12 LEU HB2 H 1 1.823 0.020 . 1 . . . A 414 LEU HB2 . 30137 1 134 . 1 1 12 12 LEU HB3 H 1 1.823 0.020 . 1 . . . A 414 LEU HB3 . 30137 1 135 . 1 1 12 12 LEU HG H 1 1.655 0.020 . 1 . . . A 414 LEU HG . 30137 1 136 . 1 1 12 12 LEU HD11 H 1 0.949 0.020 . 1 . . . A 414 LEU HD11 . 30137 1 137 . 1 1 12 12 LEU HD12 H 1 0.949 0.020 . 1 . . . A 414 LEU HD12 . 30137 1 138 . 1 1 12 12 LEU HD13 H 1 0.949 0.020 . 1 . . . A 414 LEU HD13 . 30137 1 139 . 1 1 12 12 LEU C C 13 176.772 0.100 . 1 . . . A 414 LEU C . 30137 1 140 . 1 1 12 12 LEU CA C 13 58.191 0.100 . 1 . . . A 414 LEU CA . 30137 1 141 . 1 1 12 12 LEU CB C 13 42.206 0.100 . 1 . . . A 414 LEU CB . 30137 1 142 . 1 1 12 12 LEU N N 15 119.549 0.100 . 1 . . . A 414 LEU N . 30137 1 143 . 1 1 13 13 TRP H H 1 7.942 0.020 . 1 . . . A 415 TRP H . 30137 1 144 . 1 1 13 13 TRP HA H 1 4.425 0.020 . 1 . . . A 415 TRP HA . 30137 1 145 . 1 1 13 13 TRP HB2 H 1 3.347 0.020 . 2 . . . A 415 TRP HB2 . 30137 1 146 . 1 1 13 13 TRP HB3 H 1 3.249 0.020 . 2 . . . A 415 TRP HB3 . 30137 1 147 . 1 1 13 13 TRP HD1 H 1 7.166 0.020 . 1 . . . A 415 TRP HD1 . 30137 1 148 . 1 1 13 13 TRP HE1 H 1 10.089 0.020 . 1 . . . A 415 TRP HE1 . 30137 1 149 . 1 1 13 13 TRP HE3 H 1 7.391 0.020 . 1 . . . A 415 TRP HE3 . 30137 1 150 . 1 1 13 13 TRP HZ2 H 1 7.441 0.020 . 1 . . . A 415 TRP HZ2 . 30137 1 151 . 1 1 13 13 TRP HZ3 H 1 6.944 0.020 . 1 . . . A 415 TRP HZ3 . 30137 1 152 . 1 1 13 13 TRP HH2 H 1 7.092 0.020 . 1 . . . A 415 TRP HH2 . 30137 1 153 . 1 1 13 13 TRP C C 13 178.627 0.100 . 1 . . . A 415 TRP C . 30137 1 154 . 1 1 13 13 TRP CA C 13 58.369 0.100 . 1 . . . A 415 TRP CA . 30137 1 155 . 1 1 13 13 TRP CB C 13 28.925 0.100 . 1 . . . A 415 TRP CB . 30137 1 156 . 1 1 13 13 TRP CD1 C 13 126.612 0.100 . 1 . . . A 415 TRP CD1 . 30137 1 157 . 1 1 13 13 TRP CE3 C 13 120.917 0.100 . 1 . . . A 415 TRP CE3 . 30137 1 158 . 1 1 13 13 TRP CZ2 C 13 114.964 0.100 . 1 . . . A 415 TRP CZ2 . 30137 1 159 . 1 1 13 13 TRP CZ3 C 13 121.435 0.100 . 1 . . . A 415 TRP CZ3 . 30137 1 160 . 1 1 13 13 TRP CH2 C 13 124.282 0.100 . 1 . . . A 415 TRP CH2 . 30137 1 161 . 1 1 13 13 TRP N N 15 119.385 0.100 . 1 . . . A 415 TRP N . 30137 1 162 . 1 1 13 13 TRP NE1 N 15 138.221 0.100 . 1 . . . A 415 TRP NE1 . 30137 1 163 . 1 1 14 14 PHE H H 1 8.171 0.020 . 1 . . . A 416 PHE H . 30137 1 164 . 1 1 14 14 PHE HA H 1 4.107 0.020 . 1 . . . A 416 PHE HA . 30137 1 165 . 1 1 14 14 PHE HB2 H 1 3.304 0.020 . 1 . . . A 416 PHE HB2 . 30137 1 166 . 1 1 14 14 PHE HB3 H 1 3.304 0.020 . 1 . . . A 416 PHE HB3 . 30137 1 167 . 1 1 14 14 PHE C C 13 178.014 0.100 . 1 . . . A 416 PHE C . 30137 1 168 . 1 1 14 14 PHE CA C 13 61.069 0.100 . 1 . . . A 416 PHE CA . 30137 1 169 . 1 1 14 14 PHE CB C 13 39.920 0.100 . 1 . . . A 416 PHE CB . 30137 1 170 . 1 1 14 14 PHE N N 15 118.984 0.100 . 1 . . . A 416 PHE N . 30137 1 171 . 1 1 15 15 GLU H H 1 8.274 0.020 . 1 . . . A 417 GLU H . 30137 1 172 . 1 1 15 15 GLU HA H 1 4.090 0.020 . 1 . . . A 417 GLU HA . 30137 1 173 . 1 1 15 15 GLU HB2 H 1 2.226 0.020 . 2 . . . A 417 GLU HB2 . 30137 1 174 . 1 1 15 15 GLU HB3 H 1 2.277 0.020 . 2 . . . A 417 GLU HB3 . 30137 1 175 . 1 1 15 15 GLU HG2 H 1 2.554 0.020 . 2 . . . A 417 GLU HG2 . 30137 1 176 . 1 1 15 15 GLU HG3 H 1 2.408 0.020 . 2 . . . A 417 GLU HG3 . 30137 1 177 . 1 1 15 15 GLU C C 13 178.224 0.100 . 1 . . . A 417 GLU C . 30137 1 178 . 1 1 15 15 GLU CA C 13 59.243 0.100 . 1 . . . A 417 GLU CA . 30137 1 179 . 1 1 15 15 GLU CB C 13 29.678 0.100 . 1 . . . A 417 GLU CB . 30137 1 180 . 1 1 15 15 GLU CG C 13 35.720 0.100 . 1 . . . A 417 GLU CG . 30137 1 181 . 1 1 15 15 GLU N N 15 119.767 0.100 . 1 . . . A 417 GLU N . 30137 1 182 . 1 1 16 16 GLN H H 1 8.136 0.020 . 1 . . . A 418 GLN H . 30137 1 183 . 1 1 16 16 GLN HA H 1 4.247 0.020 . 1 . . . A 418 GLN HA . 30137 1 184 . 1 1 16 16 GLN HB2 H 1 2.192 0.020 . 2 . . . A 418 GLN HB2 . 30137 1 185 . 1 1 16 16 GLN HB3 H 1 2.143 0.020 . 2 . . . A 418 GLN HB3 . 30137 1 186 . 1 1 16 16 GLN HG2 H 1 2.552 0.020 . 2 . . . A 418 GLN HG2 . 30137 1 187 . 1 1 16 16 GLN HG3 H 1 2.445 0.020 . 2 . . . A 418 GLN HG3 . 30137 1 188 . 1 1 16 16 GLN C C 13 177.303 0.100 . 1 . . . A 418 GLN C . 30137 1 189 . 1 1 16 16 GLN CA C 13 57.506 0.100 . 1 . . . A 418 GLN CA . 30137 1 190 . 1 1 16 16 GLN CB C 13 29.588 0.100 . 1 . . . A 418 GLN CB . 30137 1 191 . 1 1 16 16 GLN CG C 13 34.426 0.100 . 1 . . . A 418 GLN CG . 30137 1 192 . 1 1 16 16 GLN N N 15 117.588 0.100 . 1 . . . A 418 GLN N . 30137 1 193 . 1 1 17 17 SER H H 1 7.884 0.020 . 1 . . . A 419 SER H . 30137 1 194 . 1 1 17 17 SER HA H 1 4.182 0.020 . 1 . . . A 419 SER HA . 30137 1 195 . 1 1 17 17 SER HB2 H 1 3.717 0.020 . 2 . . . A 419 SER HB2 . 30137 1 196 . 1 1 17 17 SER HB3 H 1 3.592 0.020 . 2 . . . A 419 SER HB3 . 30137 1 197 . 1 1 17 17 SER C C 13 175.699 0.100 . 1 . . . A 419 SER C . 30137 1 198 . 1 1 17 17 SER CA C 13 60.612 0.100 . 1 . . . A 419 SER CA . 30137 1 199 . 1 1 17 17 SER CB C 13 64.517 0.100 . 1 . . . A 419 SER CB . 30137 1 200 . 1 1 17 17 SER N N 15 114.799 0.100 . 1 . . . A 419 SER N . 30137 1 201 . 1 1 18 18 GLY H H 1 7.963 0.020 . 1 . . . A 420 GLY H . 30137 1 202 . 1 1 18 18 GLY HA2 H 1 4.007 0.020 . 2 . . . A 420 GLY HA2 . 30137 1 203 . 1 1 18 18 GLY HA3 H 1 3.966 0.020 . 2 . . . A 420 GLY HA3 . 30137 1 204 . 1 1 18 18 GLY C C 13 175.123 0.100 . 1 . . . A 420 GLY C . 30137 1 205 . 1 1 18 18 GLY CA C 13 46.074 0.100 . 1 . . . A 420 GLY CA . 30137 1 206 . 1 1 18 18 GLY N N 15 109.831 0.100 . 1 . . . A 420 GLY N . 30137 1 207 . 1 1 19 19 ALA H H 1 7.869 0.020 . 1 . . . A 421 ALA H . 30137 1 208 . 1 1 19 19 ALA HA H 1 4.125 0.020 . 1 . . . A 421 ALA HA . 30137 1 209 . 1 1 19 19 ALA HB1 H 1 1.298 0.020 . 1 . . . A 421 ALA HB1 . 30137 1 210 . 1 1 19 19 ALA HB2 H 1 1.298 0.020 . 1 . . . A 421 ALA HB2 . 30137 1 211 . 1 1 19 19 ALA HB3 H 1 1.298 0.020 . 1 . . . A 421 ALA HB3 . 30137 1 212 . 1 1 19 19 ALA C C 13 178.038 0.100 . 1 . . . A 421 ALA C . 30137 1 213 . 1 1 19 19 ALA CA C 13 54.071 0.100 . 1 . . . A 421 ALA CA . 30137 1 214 . 1 1 19 19 ALA CB C 13 19.554 0.100 . 1 . . . A 421 ALA CB . 30137 1 215 . 1 1 19 19 ALA N N 15 122.912 0.100 . 1 . . . A 421 ALA N . 30137 1 216 . 1 1 20 20 MET H H 1 8.135 0.020 . 1 . . . A 422 MET H . 30137 1 217 . 1 1 20 20 MET HA H 1 4.433 0.020 . 1 . . . A 422 MET HA . 30137 1 218 . 1 1 20 20 MET HB2 H 1 2.569 0.020 . 2 . . . A 422 MET HB2 . 30137 1 219 . 1 1 20 20 MET HB3 H 1 2.472 0.020 . 2 . . . A 422 MET HB3 . 30137 1 220 . 1 1 20 20 MET HG2 H 1 2.222 0.020 . 2 . . . A 422 MET HG2 . 30137 1 221 . 1 1 20 20 MET HG3 H 1 2.039 0.020 . 2 . . . A 422 MET HG3 . 30137 1 222 . 1 1 20 20 MET HE1 H 1 2.067 0.020 . 1 . . . A 422 MET HE1 . 30137 1 223 . 1 1 20 20 MET HE2 H 1 2.067 0.020 . 1 . . . A 422 MET HE2 . 30137 1 224 . 1 1 20 20 MET HE3 H 1 2.067 0.020 . 1 . . . A 422 MET HE3 . 30137 1 225 . 1 1 20 20 MET C C 13 176.944 0.100 . 1 . . . A 422 MET C . 30137 1 226 . 1 1 20 20 MET CA C 13 56.198 0.100 . 1 . . . A 422 MET CA . 30137 1 227 . 1 1 20 20 MET CB C 13 32.874 0.100 . 1 . . . A 422 MET CB . 30137 1 228 . 1 1 20 20 MET CG C 13 33.131 0.100 . 1 . . . A 422 MET CG . 30137 1 229 . 1 1 20 20 MET CE C 13 17.924 0.100 . 1 . . . A 422 MET CE . 30137 1 230 . 1 1 20 20 MET N N 15 115.381 0.100 . 1 . . . A 422 MET N . 30137 1 231 . 1 1 21 21 GLY H H 1 8.048 0.020 . 1 . . . A 423 GLY H . 30137 1 232 . 1 1 21 21 GLY HA2 H 1 3.990 0.020 . 2 . . . A 423 GLY HA2 . 30137 1 233 . 1 1 21 21 GLY HA3 H 1 3.846 0.020 . 2 . . . A 423 GLY HA3 . 30137 1 234 . 1 1 21 21 GLY C C 13 175.023 0.100 . 1 . . . A 423 GLY C . 30137 1 235 . 1 1 21 21 GLY CA C 13 46.397 0.100 . 1 . . . A 423 GLY CA . 30137 1 236 . 1 1 21 21 GLY N N 15 107.660 0.100 . 1 . . . A 423 GLY N . 30137 1 237 . 1 1 22 22 GLY H H 1 8.191 0.020 . 1 . . . A 424 GLY H . 30137 1 238 . 1 1 22 22 GLY HA2 H 1 3.995 0.020 . 2 . . . A 424 GLY HA2 . 30137 1 239 . 1 1 22 22 GLY HA3 H 1 3.849 0.020 . 2 . . . A 424 GLY HA3 . 30137 1 240 . 1 1 22 22 GLY C C 13 174.394 0.100 . 1 . . . A 424 GLY C . 30137 1 241 . 1 1 22 22 GLY CA C 13 46.056 0.100 . 1 . . . A 424 GLY CA . 30137 1 242 . 1 1 22 22 GLY N N 15 108.013 0.100 . 1 . . . A 424 GLY N . 30137 1 243 . 1 1 23 23 LYS H H 1 8.044 0.020 . 1 . . . A 425 LYS H . 30137 1 244 . 1 1 23 23 LYS HA H 1 4.652 0.020 . 1 . . . A 425 LYS HA . 30137 1 245 . 1 1 23 23 LYS HB2 H 1 1.880 0.020 . 1 . . . A 425 LYS HB2 . 30137 1 246 . 1 1 23 23 LYS HB3 H 1 1.880 0.020 . 1 . . . A 425 LYS HB3 . 30137 1 247 . 1 1 23 23 LYS HG2 H 1 1.514 0.020 . 1 . . . A 425 LYS HG2 . 30137 1 248 . 1 1 23 23 LYS HG3 H 1 1.514 0.020 . 1 . . . A 425 LYS HG3 . 30137 1 249 . 1 1 23 23 LYS HD2 H 1 1.759 0.020 . 1 . . . A 425 LYS HD2 . 30137 1 250 . 1 1 23 23 LYS HD3 H 1 1.759 0.020 . 1 . . . A 425 LYS HD3 . 30137 1 251 . 1 1 23 23 LYS HE2 H 1 3.009 0.020 . 1 . . . A 425 LYS HE2 . 30137 1 252 . 1 1 23 23 LYS HE3 H 1 3.009 0.020 . 1 . . . A 425 LYS HE3 . 30137 1 253 . 1 1 23 23 LYS CA C 13 55.781 0.100 . 1 . . . A 425 LYS CA . 30137 1 254 . 1 1 23 23 LYS CB C 13 32.484 0.100 . 1 . . . A 425 LYS CB . 30137 1 255 . 1 1 23 23 LYS CD C 13 28.925 0.100 . 1 . . . A 425 LYS CD . 30137 1 256 . 1 1 23 23 LYS CE C 13 42.838 0.100 . 1 . . . A 425 LYS CE . 30137 1 257 . 1 1 23 23 LYS N N 15 120.890 0.100 . 1 . . . A 425 LYS N . 30137 1 258 . 1 1 24 24 PRO HA H 1 4.520 0.020 . 1 . . . A 426 PRO HA . 30137 1 259 . 1 1 24 24 PRO HB2 H 1 2.362 0.020 . 1 . . . A 426 PRO HB2 . 30137 1 260 . 1 1 24 24 PRO HB3 H 1 2.362 0.020 . 1 . . . A 426 PRO HB3 . 30137 1 261 . 1 1 24 24 PRO HG2 H 1 2.062 0.020 . 2 . . . A 426 PRO HG2 . 30137 1 262 . 1 1 24 24 PRO HG3 H 1 1.974 0.020 . 2 . . . A 426 PRO HG3 . 30137 1 263 . 1 1 24 24 PRO HD2 H 1 3.797 0.020 . 2 . . . A 426 PRO HD2 . 30137 1 264 . 1 1 24 24 PRO HD3 H 1 3.694 0.020 . 2 . . . A 426 PRO HD3 . 30137 1 265 . 1 1 24 24 PRO C C 13 178.224 0.100 . 1 . . . A 426 PRO C . 30137 1 266 . 1 1 24 24 PRO CA C 13 64.517 0.100 . 1 . . . A 426 PRO CA . 30137 1 267 . 1 1 24 24 PRO CB C 13 32.161 0.100 . 1 . . . A 426 PRO CB . 30137 1 268 . 1 1 24 24 PRO CG C 13 28.278 0.100 . 1 . . . A 426 PRO CG . 30137 1 269 . 1 1 24 24 PRO CD C 13 50.280 0.100 . 1 . . . A 426 PRO CD . 30137 1 270 . 1 1 25 25 LEU H H 1 8.516 0.020 . 1 . . . A 427 LEU H . 30137 1 271 . 1 1 25 25 LEU HA H 1 4.279 0.020 . 1 . . . A 427 LEU HA . 30137 1 272 . 1 1 25 25 LEU HB2 H 1 1.903 0.020 . 2 . . . A 427 LEU HB2 . 30137 1 273 . 1 1 25 25 LEU HB3 H 1 1.696 0.020 . 2 . . . A 427 LEU HB3 . 30137 1 274 . 1 1 25 25 LEU HD11 H 1 1.012 0.020 . 1 . . . A 427 LEU HD11 . 30137 1 275 . 1 1 25 25 LEU HD12 H 1 1.012 0.020 . 1 . . . A 427 LEU HD12 . 30137 1 276 . 1 1 25 25 LEU HD13 H 1 1.012 0.020 . 1 . . . A 427 LEU HD13 . 30137 1 277 . 1 1 25 25 LEU C C 13 178.547 0.100 . 1 . . . A 427 LEU C . 30137 1 278 . 1 1 25 25 LEU CA C 13 58.046 0.100 . 1 . . . A 427 LEU CA . 30137 1 279 . 1 1 25 25 LEU CB C 13 41.868 0.100 . 1 . . . A 427 LEU CB . 30137 1 280 . 1 1 25 25 LEU N N 15 120.585 0.100 . 1 . . . A 427 LEU N . 30137 1 281 . 1 1 26 26 SER H H 1 8.305 0.020 . 1 . . . A 428 SER H . 30137 1 282 . 1 1 26 26 SER HA H 1 4.056 0.020 . 1 . . . A 428 SER HA . 30137 1 283 . 1 1 26 26 SER HB2 H 1 3.248 0.020 . 1 . . . A 428 SER HB2 . 30137 1 284 . 1 1 26 26 SER HB3 H 1 3.248 0.020 . 1 . . . A 428 SER HB3 . 30137 1 285 . 1 1 26 26 SER C C 13 176.988 0.100 . 1 . . . A 428 SER C . 30137 1 286 . 1 1 26 26 SER CA C 13 61.605 0.100 . 1 . . . A 428 SER CA . 30137 1 287 . 1 1 26 26 SER N N 15 113.186 0.100 . 1 . . . A 428 SER N . 30137 1 288 . 1 1 27 27 THR H H 1 7.969 0.020 . 1 . . . A 429 THR H . 30137 1 289 . 1 1 27 27 THR HA H 1 4.129 0.020 . 1 . . . A 429 THR HA . 30137 1 290 . 1 1 27 27 THR HB H 1 4.135 0.020 . 1 . . . A 429 THR HB . 30137 1 291 . 1 1 27 27 THR HG21 H 1 1.180 0.020 . 1 . . . A 429 THR HG21 . 30137 1 292 . 1 1 27 27 THR HG22 H 1 1.180 0.020 . 1 . . . A 429 THR HG22 . 30137 1 293 . 1 1 27 27 THR HG23 H 1 1.180 0.020 . 1 . . . A 429 THR HG23 . 30137 1 294 . 1 1 27 27 THR C C 13 176.052 0.100 . 1 . . . A 429 THR C . 30137 1 295 . 1 1 27 27 THR CA C 13 65.488 0.100 . 1 . . . A 429 THR CA . 30137 1 296 . 1 1 27 27 THR CB C 13 69.047 0.100 . 1 . . . A 429 THR CB . 30137 1 297 . 1 1 27 27 THR CG2 C 13 22.454 0.100 . 1 . . . A 429 THR CG2 . 30137 1 298 . 1 1 27 27 THR N N 15 117.529 0.100 . 1 . . . A 429 THR N . 30137 1 299 . 1 1 28 28 PHE H H 1 7.927 0.020 . 1 . . . A 430 PHE H . 30137 1 300 . 1 1 28 28 PHE HA H 1 4.470 0.020 . 1 . . . A 430 PHE HA . 30137 1 301 . 1 1 28 28 PHE HB2 H 1 3.237 0.020 . 2 . . . A 430 PHE HB2 . 30137 1 302 . 1 1 28 28 PHE HB3 H 1 3.119 0.020 . 2 . . . A 430 PHE HB3 . 30137 1 303 . 1 1 28 28 PHE HD1 H 1 7.224 0.020 . 1 . . . A 430 PHE HD1 . 30137 1 304 . 1 1 28 28 PHE HD2 H 1 7.224 0.020 . 1 . . . A 430 PHE HD2 . 30137 1 305 . 1 1 28 28 PHE HE1 H 1 7.255 0.020 . 1 . . . A 430 PHE HE1 . 30137 1 306 . 1 1 28 28 PHE HE2 H 1 7.255 0.020 . 1 . . . A 430 PHE HE2 . 30137 1 307 . 1 1 28 28 PHE HZ H 1 7.191 0.020 . 1 . . . A 430 PHE HZ . 30137 1 308 . 1 1 28 28 PHE C C 13 176.988 0.100 . 1 . . . A 430 PHE C . 30137 1 309 . 1 1 28 28 PHE CA C 13 61.180 0.100 . 1 . . . A 430 PHE CA . 30137 1 310 . 1 1 28 28 PHE CB C 13 39.968 0.100 . 1 . . . A 430 PHE CB . 30137 1 311 . 1 1 28 28 PHE CD1 C 13 132.565 0.100 . 1 . . . A 430 PHE CD1 . 30137 1 312 . 1 1 28 28 PHE CE1 C 13 131.789 0.100 . 1 . . . A 430 PHE CE1 . 30137 1 313 . 1 1 28 28 PHE CZ C 13 129.718 0.100 . 1 . . . A 430 PHE CZ . 30137 1 314 . 1 1 28 28 PHE N N 15 120.628 0.100 . 1 . . . A 430 PHE N . 30137 1 315 . 1 1 29 29 TYR H H 1 7.967 0.020 . 1 . . . A 431 TYR H . 30137 1 316 . 1 1 29 29 TYR HA H 1 4.229 0.020 . 1 . . . A 431 TYR HA . 30137 1 317 . 1 1 29 29 TYR HB2 H 1 3.189 0.020 . 2 . . . A 431 TYR HB2 . 30137 1 318 . 1 1 29 29 TYR HB3 H 1 3.123 0.020 . 2 . . . A 431 TYR HB3 . 30137 1 319 . 1 1 29 29 TYR HD1 H 1 7.207 0.020 . 1 . . . A 431 TYR HD1 . 30137 1 320 . 1 1 29 29 TYR HD2 H 1 7.207 0.020 . 1 . . . A 431 TYR HD2 . 30137 1 321 . 1 1 29 29 TYR HE1 H 1 6.880 0.020 . 1 . . . A 431 TYR HE1 . 30137 1 322 . 1 1 29 29 TYR HE2 H 1 6.880 0.020 . 1 . . . A 431 TYR HE2 . 30137 1 323 . 1 1 29 29 TYR C C 13 176.883 0.100 . 1 . . . A 431 TYR C . 30137 1 324 . 1 1 29 29 TYR CA C 13 61.267 0.100 . 1 . . . A 431 TYR CA . 30137 1 325 . 1 1 29 29 TYR CB C 13 38.955 0.100 . 1 . . . A 431 TYR CB . 30137 1 326 . 1 1 29 29 TYR CD1 C 13 133.083 0.100 . 1 . . . A 431 TYR CD1 . 30137 1 327 . 1 1 29 29 TYR CE1 C 13 118.588 0.100 . 1 . . . A 431 TYR CE1 . 30137 1 328 . 1 1 29 29 TYR N N 15 117.231 0.100 . 1 . . . A 431 TYR N . 30137 1 329 . 1 1 30 30 THR H H 1 7.865 0.020 . 1 . . . A 432 THR H . 30137 1 330 . 1 1 30 30 THR HA H 1 4.325 0.020 . 1 . . . A 432 THR HA . 30137 1 331 . 1 1 30 30 THR HB H 1 3.941 0.020 . 1 . . . A 432 THR HB . 30137 1 332 . 1 1 30 30 THR HG21 H 1 1.328 0.020 . 1 . . . A 432 THR HG21 . 30137 1 333 . 1 1 30 30 THR HG22 H 1 1.328 0.020 . 1 . . . A 432 THR HG22 . 30137 1 334 . 1 1 30 30 THR HG23 H 1 1.328 0.020 . 1 . . . A 432 THR HG23 . 30137 1 335 . 1 1 30 30 THR C C 13 175.882 0.100 . 1 . . . A 432 THR C . 30137 1 336 . 1 1 30 30 THR CA C 13 69.370 0.100 . 1 . . . A 432 THR CA . 30137 1 337 . 1 1 30 30 THR CB C 13 65.822 0.100 . 1 . . . A 432 THR CB . 30137 1 338 . 1 1 30 30 THR CG2 C 13 22.454 0.100 . 1 . . . A 432 THR CG2 . 30137 1 339 . 1 1 30 30 THR N N 15 111.488 0.100 . 1 . . . A 432 THR N . 30137 1 340 . 1 1 31 31 GLN H H 1 7.656 0.020 . 1 . . . A 433 GLN H . 30137 1 341 . 1 1 31 31 GLN HA H 1 4.240 0.020 . 1 . . . A 433 GLN HA . 30137 1 342 . 1 1 31 31 GLN HB2 H 1 2.204 0.020 . 2 . . . A 433 GLN HB2 . 30137 1 343 . 1 1 31 31 GLN HB3 H 1 2.111 0.020 . 2 . . . A 433 GLN HB3 . 30137 1 344 . 1 1 31 31 GLN HG2 H 1 2.456 0.020 . 1 . . . A 433 GLN HG2 . 30137 1 345 . 1 1 31 31 GLN HG3 H 1 2.456 0.020 . 1 . . . A 433 GLN HG3 . 30137 1 346 . 1 1 31 31 GLN C C 13 177.505 0.100 . 1 . . . A 433 GLN C . 30137 1 347 . 1 1 31 31 GLN CA C 13 57.722 0.100 . 1 . . . A 433 GLN CA . 30137 1 348 . 1 1 31 31 GLN CB C 13 29.184 0.100 . 1 . . . A 433 GLN CB . 30137 1 349 . 1 1 31 31 GLN CG C 13 34.426 0.100 . 1 . . . A 433 GLN CG . 30137 1 350 . 1 1 31 31 GLN N N 15 117.686 0.100 . 1 . . . A 433 GLN N . 30137 1 351 . 1 1 32 32 LEU H H 1 7.667 0.020 . 1 . . . A 434 LEU H . 30137 1 352 . 1 1 32 32 LEU HA H 1 4.226 0.020 . 1 . . . A 434 LEU HA . 30137 1 353 . 1 1 32 32 LEU HB2 H 1 1.765 0.020 . 2 . . . A 434 LEU HB2 . 30137 1 354 . 1 1 32 32 LEU HB3 H 1 1.594 0.020 . 2 . . . A 434 LEU HB3 . 30137 1 355 . 1 1 32 32 LEU HG H 1 0.940 0.020 . 1 . . . A 434 LEU HG . 30137 1 356 . 1 1 32 32 LEU HD11 H 1 0.918 0.020 . 1 . . . A 434 LEU HD11 . 30137 1 357 . 1 1 32 32 LEU HD12 H 1 0.918 0.020 . 1 . . . A 434 LEU HD12 . 30137 1 358 . 1 1 32 32 LEU HD13 H 1 0.918 0.020 . 1 . . . A 434 LEU HD13 . 30137 1 359 . 1 1 32 32 LEU C C 13 178.062 0.100 . 1 . . . A 434 LEU C . 30137 1 360 . 1 1 32 32 LEU CA C 13 57.646 0.100 . 1 . . . A 434 LEU CA . 30137 1 361 . 1 1 32 32 LEU CB C 13 42.766 0.100 . 1 . . . A 434 LEU CB . 30137 1 362 . 1 1 32 32 LEU CD1 C 13 25.042 0.100 . 1 . . . A 434 LEU CD1 . 30137 1 363 . 1 1 32 32 LEU N N 15 119.043 0.100 . 1 . . . A 434 LEU N . 30137 1 364 . 1 1 33 33 VAL H H 1 7.475 0.020 . 1 . . . A 435 VAL H . 30137 1 365 . 1 1 33 33 VAL HA H 1 3.936 0.020 . 1 . . . A 435 VAL HA . 30137 1 366 . 1 1 33 33 VAL HB H 1 2.228 0.020 . 1 . . . A 435 VAL HB . 30137 1 367 . 1 1 33 33 VAL HG11 H 1 0.946 0.020 . 2 . . . A 435 VAL HG11 . 30137 1 368 . 1 1 33 33 VAL HG12 H 1 0.946 0.020 . 2 . . . A 435 VAL HG12 . 30137 1 369 . 1 1 33 33 VAL HG13 H 1 0.946 0.020 . 2 . . . A 435 VAL HG13 . 30137 1 370 . 1 1 33 33 VAL HG21 H 1 0.920 0.020 . 2 . . . A 435 VAL HG21 . 30137 1 371 . 1 1 33 33 VAL HG22 H 1 0.920 0.020 . 2 . . . A 435 VAL HG22 . 30137 1 372 . 1 1 33 33 VAL HG23 H 1 0.920 0.020 . 2 . . . A 435 VAL HG23 . 30137 1 373 . 1 1 33 33 VAL C C 13 175.858 0.100 . 1 . . . A 435 VAL C . 30137 1 374 . 1 1 33 33 VAL CA C 13 64.498 0.100 . 1 . . . A 435 VAL CA . 30137 1 375 . 1 1 33 33 VAL CB C 13 32.161 0.100 . 1 . . . A 435 VAL CB . 30137 1 376 . 1 1 33 33 VAL CG1 C 13 21.159 0.100 . 1 . . . A 435 VAL CG1 . 30137 1 377 . 1 1 33 33 VAL N N 15 113.548 0.100 . 1 . . . A 435 VAL N . 30137 1 378 . 1 1 34 34 LEU H H 1 7.358 0.020 . 1 . . . A 436 LEU H . 30137 1 379 . 1 1 34 34 LEU HA H 1 4.440 0.020 . 1 . . . A 436 LEU HA . 30137 1 380 . 1 1 34 34 LEU HB2 H 1 1.831 0.020 . 2 . . . A 436 LEU HB2 . 30137 1 381 . 1 1 34 34 LEU HB3 H 1 1.688 0.020 . 2 . . . A 436 LEU HB3 . 30137 1 382 . 1 1 34 34 LEU HG H 1 1.789 0.020 . 1 . . . A 436 LEU HG . 30137 1 383 . 1 1 34 34 LEU HD11 H 1 0.961 0.020 . 2 . . . A 436 LEU HD11 . 30137 1 384 . 1 1 34 34 LEU HD12 H 1 0.961 0.020 . 2 . . . A 436 LEU HD12 . 30137 1 385 . 1 1 34 34 LEU HD13 H 1 0.961 0.020 . 2 . . . A 436 LEU HD13 . 30137 1 386 . 1 1 34 34 LEU HD21 H 1 0.924 0.020 . 2 . . . A 436 LEU HD21 . 30137 1 387 . 1 1 34 34 LEU HD22 H 1 0.924 0.020 . 2 . . . A 436 LEU HD22 . 30137 1 388 . 1 1 34 34 LEU HD23 H 1 0.924 0.020 . 2 . . . A 436 LEU HD23 . 30137 1 389 . 1 1 34 34 LEU C C 13 177.901 0.100 . 1 . . . A 436 LEU C . 30137 1 390 . 1 1 34 34 LEU CA C 13 55.246 0.100 . 1 . . . A 436 LEU CA . 30137 1 391 . 1 1 34 34 LEU CB C 13 42.787 0.100 . 1 . . . A 436 LEU CB . 30137 1 392 . 1 1 34 34 LEU CG C 13 26.660 0.100 . 1 . . . A 436 LEU CG . 30137 1 393 . 1 1 34 34 LEU CD1 C 13 23.748 0.100 . 1 . . . A 436 LEU CD1 . 30137 1 394 . 1 1 34 34 LEU CD2 C 13 23.748 0.100 . 1 . . . A 436 LEU CD2 . 30137 1 395 . 1 1 34 34 LEU N N 15 117.774 0.100 . 1 . . . A 436 LEU N . 30137 1 396 . 1 1 35 35 MET H H 1 7.774 0.020 . 1 . . . A 437 MET H . 30137 1 397 . 1 1 35 35 MET HA H 1 4.717 0.020 . 1 . . . A 437 MET HA . 30137 1 398 . 1 1 35 35 MET HB2 H 1 2.860 0.020 . 2 . . . A 437 MET HB2 . 30137 1 399 . 1 1 35 35 MET HB3 H 1 2.704 0.020 . 2 . . . A 437 MET HB3 . 30137 1 400 . 1 1 35 35 MET HG2 H 1 2.343 0.020 . 2 . . . A 437 MET HG2 . 30137 1 401 . 1 1 35 35 MET HG3 H 1 2.235 0.020 . 2 . . . A 437 MET HG3 . 30137 1 402 . 1 1 35 35 MET HE1 H 1 2.140 0.020 . 1 . . . A 437 MET HE1 . 30137 1 403 . 1 1 35 35 MET HE2 H 1 2.140 0.020 . 1 . . . A 437 MET HE2 . 30137 1 404 . 1 1 35 35 MET HE3 H 1 2.140 0.020 . 1 . . . A 437 MET HE3 . 30137 1 405 . 1 1 35 35 MET CA C 13 56.428 0.100 . 1 . . . A 437 MET CA . 30137 1 406 . 1 1 35 35 MET CB C 13 33.131 0.100 . 1 . . . A 437 MET CB . 30137 1 407 . 1 1 35 35 MET CG C 13 32.161 0.100 . 1 . . . A 437 MET CG . 30137 1 408 . 1 1 35 35 MET CE C 13 17.924 0.100 . 1 . . . A 437 MET CE . 30137 1 409 . 1 1 35 35 MET N N 15 120.488 0.100 . 1 . . . A 437 MET N . 30137 1 410 . 1 1 36 36 PRO HA H 1 4.388 0.020 . 1 . . . A 438 PRO HA . 30137 1 411 . 1 1 36 36 PRO HB2 H 1 2.339 0.020 . 2 . . . A 438 PRO HB2 . 30137 1 412 . 1 1 36 36 PRO HB3 H 1 1.837 0.020 . 2 . . . A 438 PRO HB3 . 30137 1 413 . 1 1 36 36 PRO HG2 H 1 2.065 0.020 . 1 . . . A 438 PRO HG2 . 30137 1 414 . 1 1 36 36 PRO HG3 H 1 2.065 0.020 . 1 . . . A 438 PRO HG3 . 30137 1 415 . 1 1 36 36 PRO HD2 H 1 3.790 0.020 . 2 . . . A 438 PRO HD2 . 30137 1 416 . 1 1 36 36 PRO HD3 H 1 3.692 0.020 . 2 . . . A 438 PRO HD3 . 30137 1 417 . 1 1 36 36 PRO C C 13 178.959 0.100 . 1 . . . A 438 PRO C . 30137 1 418 . 1 1 36 36 PRO CA C 13 65.811 0.100 . 1 . . . A 438 PRO CA . 30137 1 419 . 1 1 36 36 PRO CB C 13 32.161 0.100 . 1 . . . A 438 PRO CB . 30137 1 420 . 1 1 36 36 PRO CG C 13 27.954 0.100 . 1 . . . A 438 PRO CG . 30137 1 421 . 1 1 37 37 GLN H H 1 8.697 0.020 . 1 . . . A 439 GLN H . 30137 1 422 . 1 1 37 37 GLN HA H 1 4.210 0.020 . 1 . . . A 439 GLN HA . 30137 1 423 . 1 1 37 37 GLN HB2 H 1 2.279 0.020 . 2 . . . A 439 GLN HB2 . 30137 1 424 . 1 1 37 37 GLN HB3 H 1 2.193 0.020 . 2 . . . A 439 GLN HB3 . 30137 1 425 . 1 1 37 37 GLN HG2 H 1 2.553 0.020 . 2 . . . A 439 GLN HG2 . 30137 1 426 . 1 1 37 37 GLN HG3 H 1 2.456 0.020 . 2 . . . A 439 GLN HG3 . 30137 1 427 . 1 1 37 37 GLN C C 13 178.229 0.100 . 1 . . . A 439 GLN C . 30137 1 428 . 1 1 37 37 GLN CA C 13 59.340 0.100 . 1 . . . A 439 GLN CA . 30137 1 429 . 1 1 37 37 GLN CB C 13 28.925 0.100 . 1 . . . A 439 GLN CB . 30137 1 430 . 1 1 37 37 GLN CG C 13 34.102 0.100 . 1 . . . A 439 GLN CG . 30137 1 431 . 1 1 37 37 GLN N N 15 116.345 0.100 . 1 . . . A 439 GLN N . 30137 1 432 . 1 1 38 38 VAL H H 1 7.652 0.020 . 1 . . . A 440 VAL H . 30137 1 433 . 1 1 38 38 VAL HA H 1 3.872 0.020 . 1 . . . A 440 VAL HA . 30137 1 434 . 1 1 38 38 VAL HB H 1 2.457 0.020 . 1 . . . A 440 VAL HB . 30137 1 435 . 1 1 38 38 VAL HG11 H 1 1.173 0.020 . 2 . . . A 440 VAL HG11 . 30137 1 436 . 1 1 38 38 VAL HG12 H 1 1.173 0.020 . 2 . . . A 440 VAL HG12 . 30137 1 437 . 1 1 38 38 VAL HG13 H 1 1.173 0.020 . 2 . . . A 440 VAL HG13 . 30137 1 438 . 1 1 38 38 VAL HG21 H 1 1.053 0.020 . 2 . . . A 440 VAL HG21 . 30137 1 439 . 1 1 38 38 VAL HG22 H 1 1.053 0.020 . 2 . . . A 440 VAL HG22 . 30137 1 440 . 1 1 38 38 VAL HG23 H 1 1.053 0.020 . 2 . . . A 440 VAL HG23 . 30137 1 441 . 1 1 38 38 VAL C C 13 177.602 0.100 . 1 . . . A 440 VAL C . 30137 1 442 . 1 1 38 38 VAL CA C 13 66.782 0.100 . 1 . . . A 440 VAL CA . 30137 1 443 . 1 1 38 38 VAL CB C 13 32.161 0.100 . 1 . . . A 440 VAL CB . 30137 1 444 . 1 1 38 38 VAL CG2 C 13 22.130 0.100 . 1 . . . A 440 VAL CG2 . 30137 1 445 . 1 1 38 38 VAL N N 15 118.347 0.100 . 1 . . . A 440 VAL N . 30137 1 446 . 1 1 39 39 LEU H H 1 7.921 0.020 . 1 . . . A 441 LEU H . 30137 1 447 . 1 1 39 39 LEU HA H 1 4.229 0.020 . 1 . . . A 441 LEU HA . 30137 1 448 . 1 1 39 39 LEU HB2 H 1 1.863 0.020 . 2 . . . A 441 LEU HB2 . 30137 1 449 . 1 1 39 39 LEU HB3 H 1 1.673 0.020 . 2 . . . A 441 LEU HB3 . 30137 1 450 . 1 1 39 39 LEU HD11 H 1 0.926 0.020 . 1 . . . A 441 LEU HD11 . 30137 1 451 . 1 1 39 39 LEU HD12 H 1 0.926 0.020 . 1 . . . A 441 LEU HD12 . 30137 1 452 . 1 1 39 39 LEU HD13 H 1 0.926 0.020 . 1 . . . A 441 LEU HD13 . 30137 1 453 . 1 1 39 39 LEU C C 13 179.031 0.100 . 1 . . . A 441 LEU C . 30137 1 454 . 1 1 39 39 LEU CA C 13 58.369 0.100 . 1 . . . A 441 LEU CA . 30137 1 455 . 1 1 39 39 LEU CB C 13 41.895 0.100 . 1 . . . A 441 LEU CB . 30137 1 456 . 1 1 39 39 LEU CD1 C 13 24.395 0.100 . 1 . . . A 441 LEU CD1 . 30137 1 457 . 1 1 39 39 LEU N N 15 118.443 0.100 . 1 . . . A 441 LEU N . 30137 1 458 . 1 1 40 40 HIS H H 1 7.956 0.020 . 1 . . . A 442 HIS H . 30137 1 459 . 1 1 40 40 HIS HA H 1 4.808 0.020 . 1 . . . A 442 HIS HA . 30137 1 460 . 1 1 40 40 HIS HB2 H 1 3.315 0.020 . 2 . . . A 442 HIS HB2 . 30137 1 461 . 1 1 40 40 HIS HB3 H 1 3.227 0.020 . 2 . . . A 442 HIS HB3 . 30137 1 462 . 1 1 40 40 HIS HD2 H 1 6.491 0.020 . 1 . . . A 442 HIS HD2 . 30137 1 463 . 1 1 40 40 HIS HE1 H 1 8.547 0.020 . 1 . . . A 442 HIS HE1 . 30137 1 464 . 1 1 40 40 HIS C C 13 177.124 0.100 . 1 . . . A 442 HIS C . 30137 1 465 . 1 1 40 40 HIS CA C 13 58.693 0.100 . 1 . . . A 442 HIS CA . 30137 1 466 . 1 1 40 40 HIS CB C 13 29.249 0.100 . 1 . . . A 442 HIS CB . 30137 1 467 . 1 1 40 40 HIS CD2 C 13 119.882 0.100 . 1 . . . A 442 HIS CD2 . 30137 1 468 . 1 1 40 40 HIS CE1 C 13 137.483 0.100 . 1 . . . A 442 HIS CE1 . 30137 1 469 . 1 1 40 40 HIS N N 15 116.580 0.100 . 1 . . . A 442 HIS N . 30137 1 470 . 1 1 41 41 TYR H H 1 7.908 0.020 . 1 . . . A 443 TYR H . 30137 1 471 . 1 1 41 41 TYR HA H 1 4.106 0.020 . 1 . . . A 443 TYR HA . 30137 1 472 . 1 1 41 41 TYR HB2 H 1 3.289 0.020 . 1 . . . A 443 TYR HB2 . 30137 1 473 . 1 1 41 41 TYR HB3 H 1 3.289 0.020 . 1 . . . A 443 TYR HB3 . 30137 1 474 . 1 1 41 41 TYR HD1 H 1 6.997 0.020 . 1 . . . A 443 TYR HD1 . 30137 1 475 . 1 1 41 41 TYR HD2 H 1 6.997 0.020 . 1 . . . A 443 TYR HD2 . 30137 1 476 . 1 1 41 41 TYR HE1 H 1 6.768 0.020 . 1 . . . A 443 TYR HE1 . 30137 1 477 . 1 1 41 41 TYR HE2 H 1 6.768 0.020 . 1 . . . A 443 TYR HE2 . 30137 1 478 . 1 1 41 41 TYR C C 13 178.022 0.100 . 1 . . . A 443 TYR C . 30137 1 479 . 1 1 41 41 TYR CA C 13 61.281 0.100 . 1 . . . A 443 TYR CA . 30137 1 480 . 1 1 41 41 TYR CB C 13 38.955 0.100 . 1 . . . A 443 TYR CB . 30137 1 481 . 1 1 41 41 TYR CD1 C 13 133.083 0.100 . 1 . . . A 443 TYR CD1 . 30137 1 482 . 1 1 41 41 TYR CE1 C 13 118.588 0.100 . 1 . . . A 443 TYR CE1 . 30137 1 483 . 1 1 41 41 TYR N N 15 116.729 0.100 . 1 . . . A 443 TYR N . 30137 1 484 . 1 1 42 42 ALA H H 1 8.529 0.020 . 1 . . . A 444 ALA H . 30137 1 485 . 1 1 42 42 ALA HA H 1 4.079 0.020 . 1 . . . A 444 ALA HA . 30137 1 486 . 1 1 42 42 ALA HB1 H 1 1.590 0.020 . 1 . . . A 444 ALA HB1 . 30137 1 487 . 1 1 42 42 ALA HB2 H 1 1.590 0.020 . 1 . . . A 444 ALA HB2 . 30137 1 488 . 1 1 42 42 ALA HB3 H 1 1.590 0.020 . 1 . . . A 444 ALA HB3 . 30137 1 489 . 1 1 42 42 ALA C C 13 179.152 0.100 . 1 . . . A 444 ALA C . 30137 1 490 . 1 1 42 42 ALA CA C 13 56.074 0.100 . 1 . . . A 444 ALA CA . 30137 1 491 . 1 1 42 42 ALA CB C 13 18.881 0.100 . 1 . . . A 444 ALA CB . 30137 1 492 . 1 1 42 42 ALA N N 15 121.447 0.100 . 1 . . . A 444 ALA N . 30137 1 493 . 1 1 43 43 GLN H H 1 7.985 0.020 . 1 . . . A 445 GLN H . 30137 1 494 . 1 1 43 43 GLN HA H 1 3.994 0.020 . 1 . . . A 445 GLN HA . 30137 1 495 . 1 1 43 43 GLN HB2 H 1 2.150 0.020 . 2 . . . A 445 GLN HB2 . 30137 1 496 . 1 1 43 43 GLN HB3 H 1 2.074 0.020 . 2 . . . A 445 GLN HB3 . 30137 1 497 . 1 1 43 43 GLN HG2 H 1 2.263 0.020 . 2 . . . A 445 GLN HG2 . 30137 1 498 . 1 1 43 43 GLN HG3 H 1 2.228 0.020 . 2 . . . A 445 GLN HG3 . 30137 1 499 . 1 1 43 43 GLN C C 13 178.070 0.100 . 1 . . . A 445 GLN C . 30137 1 500 . 1 1 43 43 GLN CA C 13 59.340 0.100 . 1 . . . A 445 GLN CA . 30137 1 501 . 1 1 43 43 GLN CB C 13 28.916 0.100 . 1 . . . A 445 GLN CB . 30137 1 502 . 1 1 43 43 GLN CG C 13 34.426 0.100 . 1 . . . A 445 GLN CG . 30137 1 503 . 1 1 43 43 GLN N N 15 114.977 0.100 . 1 . . . A 445 GLN N . 30137 1 504 . 1 1 44 44 TYR H H 1 7.605 0.020 . 1 . . . A 446 TYR H . 30137 1 505 . 1 1 44 44 TYR HA H 1 4.326 0.020 . 1 . . . A 446 TYR HA . 30137 1 506 . 1 1 44 44 TYR HB2 H 1 3.202 0.020 . 2 . . . A 446 TYR HB2 . 30137 1 507 . 1 1 44 44 TYR HB3 H 1 3.108 0.020 . 2 . . . A 446 TYR HB3 . 30137 1 508 . 1 1 44 44 TYR HD1 H 1 7.173 0.020 . 1 . . . A 446 TYR HD1 . 30137 1 509 . 1 1 44 44 TYR HD2 H 1 7.173 0.020 . 1 . . . A 446 TYR HD2 . 30137 1 510 . 1 1 44 44 TYR HE1 H 1 6.751 0.020 . 1 . . . A 446 TYR HE1 . 30137 1 511 . 1 1 44 44 TYR HE2 H 1 6.751 0.020 . 1 . . . A 446 TYR HE2 . 30137 1 512 . 1 1 44 44 TYR C C 13 178.224 0.100 . 1 . . . A 446 TYR C . 30137 1 513 . 1 1 44 44 TYR CA C 13 61.605 0.100 . 1 . . . A 446 TYR CA . 30137 1 514 . 1 1 44 44 TYR CB C 13 38.632 0.100 . 1 . . . A 446 TYR CB . 30137 1 515 . 1 1 44 44 TYR CD1 C 13 133.083 0.100 . 1 . . . A 446 TYR CD1 . 30137 1 516 . 1 1 44 44 TYR CE1 C 13 118.588 0.100 . 1 . . . A 446 TYR CE1 . 30137 1 517 . 1 1 44 44 TYR N N 15 118.163 0.100 . 1 . . . A 446 TYR N . 30137 1 518 . 1 1 45 45 VAL H H 1 7.857 0.020 . 1 . . . A 447 VAL H . 30137 1 519 . 1 1 45 45 VAL HA H 1 3.705 0.020 . 1 . . . A 447 VAL HA . 30137 1 520 . 1 1 45 45 VAL HB H 1 2.357 0.020 . 1 . . . A 447 VAL HB . 30137 1 521 . 1 1 45 45 VAL HG11 H 1 1.160 0.020 . 2 . . . A 447 VAL HG11 . 30137 1 522 . 1 1 45 45 VAL HG12 H 1 1.160 0.020 . 2 . . . A 447 VAL HG12 . 30137 1 523 . 1 1 45 45 VAL HG13 H 1 1.160 0.020 . 2 . . . A 447 VAL HG13 . 30137 1 524 . 1 1 45 45 VAL HG21 H 1 1.023 0.020 . 2 . . . A 447 VAL HG21 . 30137 1 525 . 1 1 45 45 VAL HG22 H 1 1.023 0.020 . 2 . . . A 447 VAL HG22 . 30137 1 526 . 1 1 45 45 VAL HG23 H 1 1.023 0.020 . 2 . . . A 447 VAL HG23 . 30137 1 527 . 1 1 45 45 VAL C C 13 177.680 0.100 . 1 . . . A 447 VAL C . 30137 1 528 . 1 1 45 45 VAL CA C 13 67.106 0.100 . 1 . . . A 447 VAL CA . 30137 1 529 . 1 1 45 45 VAL CB C 13 32.161 0.100 . 1 . . . A 447 VAL CB . 30137 1 530 . 1 1 45 45 VAL CG1 C 13 24.072 0.100 . 1 . . . A 447 VAL CG1 . 30137 1 531 . 1 1 45 45 VAL N N 15 118.453 0.100 . 1 . . . A 447 VAL N . 30137 1 532 . 1 1 46 46 LEU H H 1 7.903 0.020 . 1 . . . A 448 LEU H . 30137 1 533 . 1 1 46 46 LEU HA H 1 4.262 0.020 . 1 . . . A 448 LEU HA . 30137 1 534 . 1 1 46 46 LEU HB2 H 1 1.829 0.020 . 1 . . . A 448 LEU HB2 . 30137 1 535 . 1 1 46 46 LEU HB3 H 1 1.829 0.020 . 1 . . . A 448 LEU HB3 . 30137 1 536 . 1 1 46 46 LEU HG H 1 1.007 0.020 . 1 . . . A 448 LEU HG . 30137 1 537 . 1 1 46 46 LEU C C 13 178.837 0.100 . 1 . . . A 448 LEU C . 30137 1 538 . 1 1 46 46 LEU CA C 13 58.369 0.100 . 1 . . . A 448 LEU CA . 30137 1 539 . 1 1 46 46 LEU CG C 13 25.042 0.100 . 1 . . . A 448 LEU CG . 30137 1 540 . 1 1 46 46 LEU N N 15 118.455 0.100 . 1 . . . A 448 LEU N . 30137 1 541 . 1 1 47 47 LEU H H 1 8.026 0.020 . 1 . . . A 449 LEU H . 30137 1 542 . 1 1 47 47 LEU HA H 1 4.236 0.020 . 1 . . . A 449 LEU HA . 30137 1 543 . 1 1 47 47 LEU HB2 H 1 1.812 0.020 . 2 . . . A 449 LEU HB2 . 30137 1 544 . 1 1 47 47 LEU HB3 H 1 1.671 0.020 . 2 . . . A 449 LEU HB3 . 30137 1 545 . 1 1 47 47 LEU HD11 H 1 0.952 0.020 . 1 . . . A 449 LEU HD11 . 30137 1 546 . 1 1 47 47 LEU HD12 H 1 0.952 0.020 . 1 . . . A 449 LEU HD12 . 30137 1 547 . 1 1 47 47 LEU HD13 H 1 0.952 0.020 . 1 . . . A 449 LEU HD13 . 30137 1 548 . 1 1 47 47 LEU C C 13 180.297 0.100 . 1 . . . A 449 LEU C . 30137 1 549 . 1 1 47 47 LEU CA C 13 58.046 0.100 . 1 . . . A 449 LEU CA . 30137 1 550 . 1 1 47 47 LEU CB C 13 42.191 0.100 . 1 . . . A 449 LEU CB . 30137 1 551 . 1 1 47 47 LEU N N 15 119.682 0.100 . 1 . . . A 449 LEU N . 30137 1 552 . 1 1 48 48 GLY H H 1 8.158 0.020 . 1 . . . A 450 GLY H . 30137 1 553 . 1 1 48 48 GLY HA2 H 1 3.829 0.020 . 2 . . . A 450 GLY HA2 . 30137 1 554 . 1 1 48 48 GLY HA3 H 1 4.005 0.020 . 2 . . . A 450 GLY HA3 . 30137 1 555 . 1 1 48 48 GLY C C 13 175.679 0.100 . 1 . . . A 450 GLY C . 30137 1 556 . 1 1 48 48 GLY CA C 13 47.641 0.100 . 1 . . . A 450 GLY CA . 30137 1 557 . 1 1 48 48 GLY N N 15 107.229 0.100 . 1 . . . A 450 GLY N . 30137 1 558 . 1 1 49 49 LEU H H 1 8.018 0.020 . 1 . . . A 451 LEU H . 30137 1 559 . 1 1 49 49 LEU HA H 1 4.185 0.020 . 1 . . . A 451 LEU HA . 30137 1 560 . 1 1 49 49 LEU HB2 H 1 1.940 0.020 . 2 . . . A 451 LEU HB2 . 30137 1 561 . 1 1 49 49 LEU C C 13 178.747 0.100 . 1 . . . A 451 LEU C . 30137 1 562 . 1 1 49 49 LEU CA C 13 58.369 0.100 . 1 . . . A 451 LEU CA . 30137 1 563 . 1 1 49 49 LEU N N 15 120.929 0.100 . 1 . . . A 451 LEU N . 30137 1 564 . 1 1 50 50 GLY H H 1 8.268 0.020 . 1 . . . A 452 GLY H . 30137 1 565 . 1 1 50 50 GLY HA2 H 1 4.003 0.020 . 2 . . . A 452 GLY HA2 . 30137 1 566 . 1 1 50 50 GLY HA3 H 1 3.830 0.020 . 2 . . . A 452 GLY HA3 . 30137 1 567 . 1 1 50 50 GLY C C 13 176.732 0.100 . 1 . . . A 452 GLY C . 30137 1 568 . 1 1 50 50 GLY CA C 13 47.368 0.100 . 1 . . . A 452 GLY CA . 30137 1 569 . 1 1 50 50 GLY N N 15 105.109 0.100 . 1 . . . A 452 GLY N . 30137 1 570 . 1 1 51 51 GLY H H 1 8.124 0.020 . 1 . . . A 453 GLY H . 30137 1 571 . 1 1 51 51 GLY HA2 H 1 3.980 0.020 . 2 . . . A 453 GLY HA2 . 30137 1 572 . 1 1 51 51 GLY HA3 H 1 3.810 0.020 . 2 . . . A 453 GLY HA3 . 30137 1 573 . 1 1 51 51 GLY C C 13 175.276 0.100 . 1 . . . A 453 GLY C . 30137 1 574 . 1 1 51 51 GLY CA C 13 47.368 0.100 . 1 . . . A 453 GLY CA . 30137 1 575 . 1 1 51 51 GLY N N 15 108.267 0.100 . 1 . . . A 453 GLY N . 30137 1 576 . 1 1 52 52 LEU H H 1 8.342 0.020 . 1 . . . A 454 LEU H . 30137 1 577 . 1 1 52 52 LEU HA H 1 4.158 0.020 . 1 . . . A 454 LEU HA . 30137 1 578 . 1 1 52 52 LEU HB2 H 1 1.922 0.020 . 2 . . . A 454 LEU HB2 . 30137 1 579 . 1 1 52 52 LEU HB3 H 1 1.701 0.020 . 2 . . . A 454 LEU HB3 . 30137 1 580 . 1 1 52 52 LEU HD11 H 1 0.956 0.020 . 1 . . . A 454 LEU HD11 . 30137 1 581 . 1 1 52 52 LEU HD12 H 1 0.956 0.020 . 1 . . . A 454 LEU HD12 . 30137 1 582 . 1 1 52 52 LEU HD13 H 1 0.956 0.020 . 1 . . . A 454 LEU HD13 . 30137 1 583 . 1 1 52 52 LEU C C 13 179.023 0.100 . 1 . . . A 454 LEU C . 30137 1 584 . 1 1 52 52 LEU CA C 13 58.143 0.100 . 1 . . . A 454 LEU CA . 30137 1 585 . 1 1 52 52 LEU CB C 13 42.515 0.100 . 1 . . . A 454 LEU CB . 30137 1 586 . 1 1 52 52 LEU N N 15 121.268 0.100 . 1 . . . A 454 LEU N . 30137 1 587 . 1 1 53 53 LEU H H 1 7.502 0.020 . 1 . . . A 455 LEU H . 30137 1 588 . 1 1 53 53 LEU HA H 1 4.241 0.020 . 1 . . . A 455 LEU HA . 30137 1 589 . 1 1 53 53 LEU C C 13 179.362 0.100 . 1 . . . A 455 LEU C . 30137 1 590 . 1 1 53 53 LEU CA C 13 57.075 0.100 . 1 . . . A 455 LEU CA . 30137 1 591 . 1 1 53 53 LEU N N 15 117.228 0.100 . 1 . . . A 455 LEU N . 30137 1 592 . 1 1 54 54 LEU H H 1 7.894 0.020 . 1 . . . A 456 LEU H . 30137 1 593 . 1 1 54 54 LEU HA H 1 4.378 0.020 . 1 . . . A 456 LEU HA . 30137 1 594 . 1 1 54 54 LEU HB2 H 1 1.953 0.020 . 2 . . . A 456 LEU HB2 . 30137 1 595 . 1 1 54 54 LEU HB3 H 1 1.696 0.020 . 2 . . . A 456 LEU HB3 . 30137 1 596 . 1 1 54 54 LEU N N 15 116.568 0.100 . 1 . . . A 456 LEU N . 30137 1 597 . 1 1 55 55 LEU HA H 1 4.359 0.020 . 1 . . . A 457 LEU HA . 30137 1 598 . 1 1 55 55 LEU HB2 H 1 1.830 0.020 . 2 . . . A 457 LEU HB2 . 30137 1 599 . 1 1 55 55 LEU HB3 H 1 1.407 0.020 . 2 . . . A 457 LEU HB3 . 30137 1 600 . 1 1 55 55 LEU HG H 1 1.724 0.020 . 1 . . . A 457 LEU HG . 30137 1 601 . 1 1 55 55 LEU HD11 H 1 0.984 0.020 . 2 . . . A 457 LEU HD11 . 30137 1 602 . 1 1 55 55 LEU HD12 H 1 0.984 0.020 . 2 . . . A 457 LEU HD12 . 30137 1 603 . 1 1 55 55 LEU HD13 H 1 0.984 0.020 . 2 . . . A 457 LEU HD13 . 30137 1 604 . 1 1 55 55 LEU HD21 H 1 0.905 0.020 . 2 . . . A 457 LEU HD21 . 30137 1 605 . 1 1 55 55 LEU HD22 H 1 0.905 0.020 . 2 . . . A 457 LEU HD22 . 30137 1 606 . 1 1 55 55 LEU HD23 H 1 0.905 0.020 . 2 . . . A 457 LEU HD23 . 30137 1 607 . 1 1 55 55 LEU C C 13 178.534 0.100 . 1 . . . A 457 LEU C . 30137 1 608 . 1 1 55 55 LEU CA C 13 56.428 0.100 . 1 . . . A 457 LEU CA . 30137 1 609 . 1 1 55 55 LEU CB C 13 40.250 0.100 . 1 . . . A 457 LEU CB . 30137 1 610 . 1 1 55 55 LEU CG C 13 27.631 0.100 . 1 . . . A 457 LEU CG . 30137 1 611 . 1 1 55 55 LEU CD1 C 13 25.042 0.100 . 1 . . . A 457 LEU CD1 . 30137 1 612 . 1 1 56 56 VAL H H 1 7.697 0.020 . 1 . . . A 458 VAL H . 30137 1 613 . 1 1 56 56 VAL HA H 1 3.740 0.020 . 1 . . . A 458 VAL HA . 30137 1 614 . 1 1 56 56 VAL HB H 1 2.348 0.020 . 1 . . . A 458 VAL HB . 30137 1 615 . 1 1 56 56 VAL HG11 H 1 1.141 0.020 . 2 . . . A 458 VAL HG11 . 30137 1 616 . 1 1 56 56 VAL HG12 H 1 1.141 0.020 . 2 . . . A 458 VAL HG12 . 30137 1 617 . 1 1 56 56 VAL HG13 H 1 1.141 0.020 . 2 . . . A 458 VAL HG13 . 30137 1 618 . 1 1 56 56 VAL HG21 H 1 0.957 0.020 . 2 . . . A 458 VAL HG21 . 30137 1 619 . 1 1 56 56 VAL HG22 H 1 0.957 0.020 . 2 . . . A 458 VAL HG22 . 30137 1 620 . 1 1 56 56 VAL HG23 H 1 0.957 0.020 . 2 . . . A 458 VAL HG23 . 30137 1 621 . 1 1 56 56 VAL CA C 13 69.047 0.100 . 1 . . . A 458 VAL CA . 30137 1 622 . 1 1 56 56 VAL CB C 13 30.543 0.100 . 1 . . . A 458 VAL CB . 30137 1 623 . 1 1 56 56 VAL N N 15 118.568 0.100 . 1 . . . A 458 VAL N . 30137 1 624 . 1 1 57 57 PRO HA H 1 4.353 0.020 . 1 . . . A 459 PRO HA . 30137 1 625 . 1 1 57 57 PRO HB2 H 1 1.909 0.020 . 2 . . . A 459 PRO HB2 . 30137 1 626 . 1 1 57 57 PRO HB3 H 1 1.840 0.020 . 2 . . . A 459 PRO HB3 . 30137 1 627 . 1 1 57 57 PRO HD2 H 1 3.796 0.020 . 2 . . . A 459 PRO HD2 . 30137 1 628 . 1 1 57 57 PRO HD3 H 1 3.595 0.020 . 2 . . . A 459 PRO HD3 . 30137 1 629 . 1 1 57 57 PRO C C 13 178.892 0.100 . 1 . . . A 459 PRO C . 30137 1 630 . 1 1 57 57 PRO CA C 13 66.261 0.100 . 1 . . . A 459 PRO CA . 30137 1 631 . 1 1 57 57 PRO CB C 13 31.514 0.100 . 1 . . . A 459 PRO CB . 30137 1 632 . 1 1 57 57 PRO CD C 13 49.957 0.100 . 1 . . . A 459 PRO CD . 30137 1 633 . 1 1 58 58 ILE H H 1 7.126 0.020 . 1 . . . A 460 ILE H . 30137 1 634 . 1 1 58 58 ILE HA H 1 3.875 0.020 . 1 . . . A 460 ILE HA . 30137 1 635 . 1 1 58 58 ILE HB H 1 2.158 0.020 . 1 . . . A 460 ILE HB . 30137 1 636 . 1 1 58 58 ILE HG12 H 1 1.748 0.020 . 2 . . . A 460 ILE HG12 . 30137 1 637 . 1 1 58 58 ILE HG13 H 1 1.304 0.020 . 2 . . . A 460 ILE HG13 . 30137 1 638 . 1 1 58 58 ILE HG21 H 1 0.974 0.020 . 1 . . . A 460 ILE HG21 . 30137 1 639 . 1 1 58 58 ILE HG22 H 1 0.974 0.020 . 1 . . . A 460 ILE HG22 . 30137 1 640 . 1 1 58 58 ILE HG23 H 1 0.974 0.020 . 1 . . . A 460 ILE HG23 . 30137 1 641 . 1 1 58 58 ILE HD11 H 1 0.967 0.020 . 1 . . . A 460 ILE HD11 . 30137 1 642 . 1 1 58 58 ILE HD12 H 1 0.967 0.020 . 1 . . . A 460 ILE HD12 . 30137 1 643 . 1 1 58 58 ILE HD13 H 1 0.967 0.020 . 1 . . . A 460 ILE HD13 . 30137 1 644 . 1 1 58 58 ILE C C 13 178.224 0.100 . 1 . . . A 460 ILE C . 30137 1 645 . 1 1 58 58 ILE CB C 13 38.429 0.100 . 1 . . . A 460 ILE CB . 30137 1 646 . 1 1 58 58 ILE CG1 C 13 29.250 0.100 . 1 . . . A 460 ILE CG1 . 30137 1 647 . 1 1 58 58 ILE CG2 C 13 18.247 0.100 . 1 . . . A 460 ILE CG2 . 30137 1 648 . 1 1 58 58 ILE CD1 C 13 13.717 0.100 . 1 . . . A 460 ILE CD1 . 30137 1 649 . 1 1 58 58 ILE N N 15 116.759 0.100 . 1 . . . A 460 ILE N . 30137 1 650 . 1 1 59 59 ILE H H 1 8.077 0.020 . 1 . . . A 461 ILE H . 30137 1 651 . 1 1 59 59 ILE HA H 1 3.782 0.020 . 1 . . . A 461 ILE HA . 30137 1 652 . 1 1 59 59 ILE HB H 1 2.108 0.020 . 1 . . . A 461 ILE HB . 30137 1 653 . 1 1 59 59 ILE HG12 H 1 1.762 0.020 . 2 . . . A 461 ILE HG12 . 30137 1 654 . 1 1 59 59 ILE HG13 H 1 1.278 0.020 . 2 . . . A 461 ILE HG13 . 30137 1 655 . 1 1 59 59 ILE HG21 H 1 0.988 0.020 . 1 . . . A 461 ILE HG21 . 30137 1 656 . 1 1 59 59 ILE HG22 H 1 0.988 0.020 . 1 . . . A 461 ILE HG22 . 30137 1 657 . 1 1 59 59 ILE HG23 H 1 0.988 0.020 . 1 . . . A 461 ILE HG23 . 30137 1 658 . 1 1 59 59 ILE HD11 H 1 0.910 0.020 . 1 . . . A 461 ILE HD11 . 30137 1 659 . 1 1 59 59 ILE HD12 H 1 0.910 0.020 . 1 . . . A 461 ILE HD12 . 30137 1 660 . 1 1 59 59 ILE HD13 H 1 0.910 0.020 . 1 . . . A 461 ILE HD13 . 30137 1 661 . 1 1 59 59 ILE C C 13 178.224 0.100 . 1 . . . A 461 ILE C . 30137 1 662 . 1 1 59 59 ILE CA C 13 64.916 0.100 . 1 . . . A 461 ILE CA . 30137 1 663 . 1 1 59 59 ILE CB C 13 37.661 0.100 . 1 . . . A 461 ILE CB . 30137 1 664 . 1 1 59 59 ILE CG1 C 13 29.250 0.100 . 1 . . . A 461 ILE CG1 . 30137 1 665 . 1 1 59 59 ILE CG2 C 13 18.247 0.100 . 1 . . . A 461 ILE CG2 . 30137 1 666 . 1 1 59 59 ILE CD1 C 13 13.717 0.100 . 1 . . . A 461 ILE CD1 . 30137 1 667 . 1 1 59 59 ILE N N 15 119.773 0.100 . 1 . . . A 461 ILE N . 30137 1 668 . 1 1 60 60 CYS H H 1 8.311 0.020 . 1 . . . A 462 CYS H . 30137 1 669 . 1 1 60 60 CYS HA H 1 4.473 0.020 . 1 . . . A 462 CYS HA . 30137 1 670 . 1 1 60 60 CYS HB2 H 1 2.991 0.020 . 2 . . . A 462 CYS HB2 . 30137 1 671 . 1 1 60 60 CYS HB3 H 1 2.701 0.020 . 2 . . . A 462 CYS HB3 . 30137 1 672 . 1 1 60 60 CYS C C 13 179.483 0.100 . 1 . . . A 462 CYS C . 30137 1 673 . 1 1 60 60 CYS CA C 13 58.369 0.100 . 1 . . . A 462 CYS CA . 30137 1 674 . 1 1 60 60 CYS CB C 13 39.926 0.100 . 1 . . . A 462 CYS CB . 30137 1 675 . 1 1 60 60 CYS N N 15 116.370 0.100 . 1 . . . A 462 CYS N . 30137 1 676 . 1 1 61 61 GLN H H 1 7.940 0.020 . 1 . . . A 463 GLN H . 30137 1 677 . 1 1 61 61 GLN HA H 1 4.282 0.020 . 1 . . . A 463 GLN HA . 30137 1 678 . 1 1 61 61 GLN HB2 H 1 2.276 0.020 . 2 . . . A 463 GLN HB2 . 30137 1 679 . 1 1 61 61 GLN HB3 H 1 2.170 0.020 . 2 . . . A 463 GLN HB3 . 30137 1 680 . 1 1 61 61 GLN HG2 H 1 2.554 0.020 . 2 . . . A 463 GLN HG2 . 30137 1 681 . 1 1 61 61 GLN HG3 H 1 2.455 0.020 . 2 . . . A 463 GLN HG3 . 30137 1 682 . 1 1 61 61 GLN C C 13 178.361 0.100 . 1 . . . A 463 GLN C . 30137 1 683 . 1 1 61 61 GLN CA C 13 58.693 0.100 . 1 . . . A 463 GLN CA . 30137 1 684 . 1 1 61 61 GLN CB C 13 29.249 0.100 . 1 . . . A 463 GLN CB . 30137 1 685 . 1 1 61 61 GLN CG C 13 34.749 0.100 . 1 . . . A 463 GLN CG . 30137 1 686 . 1 1 61 61 GLN N N 15 119.254 0.100 . 1 . . . A 463 GLN N . 30137 1 687 . 1 1 62 62 LEU H H 1 7.998 0.020 . 1 . . . A 464 LEU H . 30137 1 688 . 1 1 62 62 LEU HA H 1 4.229 0.020 . 1 . . . A 464 LEU HA . 30137 1 689 . 1 1 62 62 LEU HB2 H 1 1.988 0.020 . 2 . . . A 464 LEU HB2 . 30137 1 690 . 1 1 62 62 LEU HB3 H 1 1.676 0.020 . 2 . . . A 464 LEU HB3 . 30137 1 691 . 1 1 62 62 LEU HG H 1 0.957 0.020 . 1 . . . A 464 LEU HG . 30137 1 692 . 1 1 62 62 LEU HD11 H 1 0.992 0.020 . 2 . . . A 464 LEU HD11 . 30137 1 693 . 1 1 62 62 LEU HD12 H 1 0.992 0.020 . 2 . . . A 464 LEU HD12 . 30137 1 694 . 1 1 62 62 LEU HD13 H 1 0.992 0.020 . 2 . . . A 464 LEU HD13 . 30137 1 695 . 1 1 62 62 LEU HD21 H 1 0.941 0.020 . 2 . . . A 464 LEU HD21 . 30137 1 696 . 1 1 62 62 LEU HD22 H 1 0.941 0.020 . 2 . . . A 464 LEU HD22 . 30137 1 697 . 1 1 62 62 LEU HD23 H 1 0.941 0.020 . 2 . . . A 464 LEU HD23 . 30137 1 698 . 1 1 62 62 LEU C C 13 178.329 0.100 . 1 . . . A 464 LEU C . 30137 1 699 . 1 1 62 62 LEU CA C 13 57.482 0.100 . 1 . . . A 464 LEU CA . 30137 1 700 . 1 1 62 62 LEU CB C 13 42.798 0.100 . 1 . . . A 464 LEU CB . 30137 1 701 . 1 1 62 62 LEU CG C 13 25.690 0.100 . 1 . . . A 464 LEU CG . 30137 1 702 . 1 1 62 62 LEU CD1 C 13 25.690 0.100 . 1 . . . A 464 LEU CD1 . 30137 1 703 . 1 1 62 62 LEU CD2 C 13 25.690 0.100 . 1 . . . A 464 LEU CD2 . 30137 1 704 . 1 1 62 62 LEU N N 15 120.056 0.100 . 1 . . . A 464 LEU N . 30137 1 705 . 1 1 63 63 ARG H H 1 7.744 0.020 . 1 . . . A 465 ARG H . 30137 1 706 . 1 1 63 63 ARG HA H 1 4.455 0.020 . 1 . . . A 465 ARG HA . 30137 1 707 . 1 1 63 63 ARG HB2 H 1 2.097 0.020 . 2 . . . A 465 ARG HB2 . 30137 1 708 . 1 1 63 63 ARG HB3 H 1 1.837 0.020 . 2 . . . A 465 ARG HB3 . 30137 1 709 . 1 1 63 63 ARG HG2 H 1 1.788 0.020 . 2 . . . A 465 ARG HG2 . 30137 1 710 . 1 1 63 63 ARG HG3 H 1 1.693 0.020 . 2 . . . A 465 ARG HG3 . 30137 1 711 . 1 1 63 63 ARG HD2 H 1 3.236 0.020 . 2 . . . A 465 ARG HD2 . 30137 1 712 . 1 1 63 63 ARG HD3 H 1 3.170 0.020 . 2 . . . A 465 ARG HD3 . 30137 1 713 . 1 1 63 63 ARG C C 13 176.076 0.100 . 1 . . . A 465 ARG C . 30137 1 714 . 1 1 63 63 ARG CA C 13 56.256 0.100 . 1 . . . A 465 ARG CA . 30137 1 715 . 1 1 63 63 ARG CB C 13 31.168 0.100 . 1 . . . A 465 ARG CB . 30137 1 716 . 1 1 63 63 ARG CG C 13 27.631 0.100 . 1 . . . A 465 ARG CG . 30137 1 717 . 1 1 63 63 ARG CD C 13 43.485 0.100 . 1 . . . A 465 ARG CD . 30137 1 718 . 1 1 63 63 ARG N N 15 116.357 0.100 . 1 . . . A 465 ARG N . 30137 1 719 . 1 1 64 64 SER H H 1 8.072 0.020 . 1 . . . A 466 SER H . 30137 1 720 . 1 1 64 64 SER HA H 1 4.281 0.020 . 1 . . . A 466 SER HA . 30137 1 721 . 1 1 64 64 SER HB2 H 1 4.014 0.020 . 2 . . . A 466 SER HB2 . 30137 1 722 . 1 1 64 64 SER HB3 H 1 3.812 0.020 . 2 . . . A 466 SER HB3 . 30137 1 723 . 1 1 64 64 SER C C 13 174.831 0.100 . 1 . . . A 466 SER C . 30137 1 724 . 1 1 64 64 SER CA C 13 59.475 0.100 . 1 . . . A 466 SER CA . 30137 1 725 . 1 1 64 64 SER CB C 13 63.584 0.100 . 1 . . . A 466 SER CB . 30137 1 726 . 1 1 64 64 SER N N 15 114.345 0.100 . 1 . . . A 466 SER N . 30137 1 727 . 1 1 65 65 GLN H H 1 8.209 0.020 . 1 . . . A 467 GLN H . 30137 1 728 . 1 1 65 65 GLN HA H 1 4.369 0.020 . 1 . . . A 467 GLN HA . 30137 1 729 . 1 1 65 65 GLN HB2 H 1 2.209 0.020 . 2 . . . A 467 GLN HB2 . 30137 1 730 . 1 1 65 65 GLN HB3 H 1 2.007 0.020 . 2 . . . A 467 GLN HB3 . 30137 1 731 . 1 1 65 65 GLN HG2 H 1 2.378 0.020 . 1 . . . A 467 GLN HG2 . 30137 1 732 . 1 1 65 65 GLN HG3 H 1 2.378 0.020 . 1 . . . A 467 GLN HG3 . 30137 1 733 . 1 1 65 65 GLN C C 13 176.302 0.100 . 1 . . . A 467 GLN C . 30137 1 734 . 1 1 65 65 GLN CA C 13 56.487 0.100 . 1 . . . A 467 GLN CA . 30137 1 735 . 1 1 65 65 GLN CB C 13 29.933 0.100 . 1 . . . A 467 GLN CB . 30137 1 736 . 1 1 65 65 GLN CG C 13 34.426 0.100 . 1 . . . A 467 GLN CG . 30137 1 737 . 1 1 65 65 GLN N N 15 119.955 0.100 . 1 . . . A 467 GLN N . 30137 1 738 . 1 1 66 66 GLU H H 1 8.485 0.020 . 1 . . . A 468 GLU H . 30137 1 739 . 1 1 66 66 GLU HA H 1 4.222 0.020 . 1 . . . A 468 GLU HA . 30137 1 740 . 1 1 66 66 GLU HB2 H 1 2.097 0.020 . 2 . . . A 468 GLU HB2 . 30137 1 741 . 1 1 66 66 GLU HB3 H 1 2.018 0.020 . 2 . . . A 468 GLU HB3 . 30137 1 742 . 1 1 66 66 GLU HG2 H 1 2.312 0.020 . 1 . . . A 468 GLU HG2 . 30137 1 743 . 1 1 66 66 GLU HG3 H 1 2.312 0.020 . 1 . . . A 468 GLU HG3 . 30137 1 744 . 1 1 66 66 GLU C C 13 176.778 0.100 . 1 . . . A 468 GLU C . 30137 1 745 . 1 1 66 66 GLU CA C 13 58.258 0.100 . 1 . . . A 468 GLU CA . 30137 1 746 . 1 1 66 66 GLU CB C 13 30.560 0.100 . 1 . . . A 468 GLU CB . 30137 1 747 . 1 1 66 66 GLU CG C 13 37.014 0.100 . 1 . . . A 468 GLU CG . 30137 1 748 . 1 1 66 66 GLU N N 15 120.967 0.100 . 1 . . . A 468 GLU N . 30137 1 749 . 1 1 67 67 LYS H H 1 8.026 0.020 . 1 . . . A 469 LYS H . 30137 1 750 . 1 1 67 67 LYS HA H 1 4.361 0.020 . 1 . . . A 469 LYS HA . 30137 1 751 . 1 1 67 67 LYS HB2 H 1 1.765 0.020 . 2 . . . A 469 LYS HB2 . 30137 1 752 . 1 1 67 67 LYS HB3 H 1 1.719 0.020 . 2 . . . A 469 LYS HB3 . 30137 1 753 . 1 1 67 67 LYS HG2 H 1 1.402 0.020 . 1 . . . A 469 LYS HG2 . 30137 1 754 . 1 1 67 67 LYS HG3 H 1 1.402 0.020 . 1 . . . A 469 LYS HG3 . 30137 1 755 . 1 1 67 67 LYS HD2 H 1 1.755 0.020 . 2 . . . A 469 LYS HD2 . 30137 1 756 . 1 1 67 67 LYS HD3 H 1 1.681 0.020 . 2 . . . A 469 LYS HD3 . 30137 1 757 . 1 1 67 67 LYS HE2 H 1 3.036 0.020 . 2 . . . A 469 LYS HE2 . 30137 1 758 . 1 1 67 67 LYS HE3 H 1 2.987 0.020 . 2 . . . A 469 LYS HE3 . 30137 1 759 . 1 1 67 67 LYS C C 13 175.955 0.100 . 1 . . . A 469 LYS C . 30137 1 760 . 1 1 67 67 LYS CA C 13 56.214 0.100 . 1 . . . A 469 LYS CA . 30137 1 761 . 1 1 67 67 LYS CB C 13 33.583 0.100 . 1 . . . A 469 LYS CB . 30137 1 762 . 1 1 67 67 LYS CG C 13 25.042 0.100 . 1 . . . A 469 LYS CG . 30137 1 763 . 1 1 67 67 LYS CD C 13 29.572 0.100 . 1 . . . A 469 LYS CD . 30137 1 764 . 1 1 67 67 LYS CE C 13 42.515 0.100 . 1 . . . A 469 LYS CE . 30137 1 765 . 1 1 67 67 LYS N N 15 118.350 0.100 . 1 . . . A 469 LYS N . 30137 1 766 . 1 1 68 68 CYS H H 1 8.356 0.020 . 1 . . . A 470 CYS H . 30137 1 767 . 1 1 68 68 CYS HA H 1 4.433 0.020 . 1 . . . A 470 CYS HA . 30137 1 768 . 1 1 68 68 CYS HB2 H 1 3.008 0.020 . 1 . . . A 470 CYS HB2 . 30137 1 769 . 1 1 68 68 CYS HB3 H 1 3.008 0.020 . 1 . . . A 470 CYS HB3 . 30137 1 770 . 1 1 68 68 CYS C C 13 173.976 0.100 . 1 . . . A 470 CYS C . 30137 1 771 . 1 1 68 68 CYS CA C 13 56.751 0.100 . 1 . . . A 470 CYS CA . 30137 1 772 . 1 1 68 68 CYS CB C 13 40.790 0.100 . 1 . . . A 470 CYS CB . 30137 1 773 . 1 1 68 68 CYS N N 15 120.898 0.100 . 1 . . . A 470 CYS N . 30137 1 774 . 1 1 69 69 PHE H H 1 7.988 0.020 . 1 . . . A 471 PHE H . 30137 1 775 . 1 1 69 69 PHE HA H 1 4.484 0.020 . 1 . . . A 471 PHE HA . 30137 1 776 . 1 1 69 69 PHE HB2 H 1 3.194 0.020 . 2 . . . A 471 PHE HB2 . 30137 1 777 . 1 1 69 69 PHE HB3 H 1 3.119 0.020 . 2 . . . A 471 PHE HB3 . 30137 1 778 . 1 1 69 69 PHE HD1 H 1 7.158 0.020 . 1 . . . A 471 PHE HD1 . 30137 1 779 . 1 1 69 69 PHE HD2 H 1 7.158 0.020 . 1 . . . A 471 PHE HD2 . 30137 1 780 . 1 1 69 69 PHE HE1 H 1 7.164 0.020 . 1 . . . A 471 PHE HE1 . 30137 1 781 . 1 1 69 69 PHE HE2 H 1 7.164 0.020 . 1 . . . A 471 PHE HE2 . 30137 1 782 . 1 1 69 69 PHE HZ H 1 7.192 0.020 . 1 . . . A 471 PHE HZ . 30137 1 783 . 1 1 69 69 PHE C C 13 174.784 0.100 . 1 . . . A 471 PHE C . 30137 1 784 . 1 1 69 69 PHE CA C 13 58.332 0.100 . 1 . . . A 471 PHE CA . 30137 1 785 . 1 1 69 69 PHE CB C 13 39.595 0.100 . 1 . . . A 471 PHE CB . 30137 1 786 . 1 1 69 69 PHE CD1 C 13 132.565 0.100 . 1 . . . A 471 PHE CD1 . 30137 1 787 . 1 1 69 69 PHE CE1 C 13 131.789 0.100 . 1 . . . A 471 PHE CE1 . 30137 1 788 . 1 1 69 69 PHE CZ C 13 129.459 0.100 . 1 . . . A 471 PHE CZ . 30137 1 789 . 1 1 69 69 PHE N N 15 119.265 0.100 . 1 . . . A 471 PHE N . 30137 1 790 . 1 1 70 70 LEU H H 1 7.346 0.020 . 1 . . . A 472 LEU H . 30137 1 791 . 1 1 70 70 LEU HA H 1 3.996 0.020 . 1 . . . A 472 LEU HA . 30137 1 792 . 1 1 70 70 LEU HB2 H 1 1.382 0.020 . 2 . . . A 472 LEU HB2 . 30137 1 793 . 1 1 70 70 LEU HB3 H 1 1.228 0.020 . 2 . . . A 472 LEU HB3 . 30137 1 794 . 1 1 70 70 LEU HG H 1 1.252 0.020 . 1 . . . A 472 LEU HG . 30137 1 795 . 1 1 70 70 LEU HD11 H 1 0.795 0.020 . 2 . . . A 472 LEU HD11 . 30137 1 796 . 1 1 70 70 LEU HD12 H 1 0.795 0.020 . 2 . . . A 472 LEU HD12 . 30137 1 797 . 1 1 70 70 LEU HD13 H 1 0.795 0.020 . 2 . . . A 472 LEU HD13 . 30137 1 798 . 1 1 70 70 LEU HD21 H 1 0.754 0.020 . 2 . . . A 472 LEU HD21 . 30137 1 799 . 1 1 70 70 LEU HD22 H 1 0.754 0.020 . 2 . . . A 472 LEU HD22 . 30137 1 800 . 1 1 70 70 LEU HD23 H 1 0.754 0.020 . 2 . . . A 472 LEU HD23 . 30137 1 801 . 1 1 70 70 LEU C C 13 176.657 0.100 . 1 . . . A 472 LEU C . 30137 1 802 . 1 1 70 70 LEU CA C 13 55.781 0.100 . 1 . . . A 472 LEU CA . 30137 1 803 . 1 1 70 70 LEU CB C 13 41.929 0.100 . 1 . . . A 472 LEU CB . 30137 1 804 . 1 1 70 70 LEU CG C 13 27.631 0.100 . 1 . . . A 472 LEU CG . 30137 1 805 . 1 1 70 70 LEU CD1 C 13 25.690 0.100 . 1 . . . A 472 LEU CD1 . 30137 1 806 . 1 1 70 70 LEU CD2 C 13 25.690 0.100 . 1 . . . A 472 LEU CD2 . 30137 1 807 . 1 1 70 70 LEU N N 15 119.249 0.100 . 1 . . . A 472 LEU N . 30137 1 808 . 1 1 71 71 PHE H H 1 7.411 0.020 . 1 . . . A 473 PHE H . 30137 1 809 . 1 1 71 71 PHE HA H 1 4.470 0.020 . 1 . . . A 473 PHE HA . 30137 1 810 . 1 1 71 71 PHE HB2 H 1 2.991 0.020 . 2 . . . A 473 PHE HB2 . 30137 1 811 . 1 1 71 71 PHE HB3 H 1 2.701 0.020 . 2 . . . A 473 PHE HB3 . 30137 1 812 . 1 1 71 71 PHE HD1 H 1 7.171 0.020 . 1 . . . A 473 PHE HD1 . 30137 1 813 . 1 1 71 71 PHE HD2 H 1 7.171 0.020 . 1 . . . A 473 PHE HD2 . 30137 1 814 . 1 1 71 71 PHE HE1 H 1 7.157 0.020 . 1 . . . A 473 PHE HE1 . 30137 1 815 . 1 1 71 71 PHE HE2 H 1 7.157 0.020 . 1 . . . A 473 PHE HE2 . 30137 1 816 . 1 1 71 71 PHE HZ H 1 7.192 0.020 . 1 . . . A 473 PHE HZ . 30137 1 817 . 1 1 71 71 PHE C C 13 175.123 0.100 . 1 . . . A 473 PHE C . 30137 1 818 . 1 1 71 71 PHE CA C 13 58.640 0.100 . 1 . . . A 473 PHE CA . 30137 1 819 . 1 1 71 71 PHE CB C 13 39.637 0.100 . 1 . . . A 473 PHE CB . 30137 1 820 . 1 1 71 71 PHE CD1 C 13 132.695 0.100 . 1 . . . A 473 PHE CD1 . 30137 1 821 . 1 1 71 71 PHE CE1 C 13 132.306 0.100 . 1 . . . A 473 PHE CE1 . 30137 1 822 . 1 1 71 71 PHE CZ C 13 129.977 0.100 . 1 . . . A 473 PHE CZ . 30137 1 823 . 1 1 71 71 PHE N N 15 117.792 0.100 . 1 . . . A 473 PHE N . 30137 1 824 . 1 1 72 72 TRP H H 1 7.471 0.020 . 1 . . . A 474 TRP H . 30137 1 825 . 1 1 72 72 TRP HA H 1 4.806 0.020 . 1 . . . A 474 TRP HA . 30137 1 826 . 1 1 72 72 TRP HB2 H 1 3.314 0.020 . 2 . . . A 474 TRP HB2 . 30137 1 827 . 1 1 72 72 TRP HB3 H 1 3.306 0.020 . 2 . . . A 474 TRP HB3 . 30137 1 828 . 1 1 72 72 TRP HD1 H 1 7.237 0.020 . 1 . . . A 474 TRP HD1 . 30137 1 829 . 1 1 72 72 TRP HE1 H 1 10.150 0.020 . 1 . . . A 474 TRP HE1 . 30137 1 830 . 1 1 72 72 TRP HE3 H 1 7.467 0.020 . 1 . . . A 474 TRP HE3 . 30137 1 831 . 1 1 72 72 TRP HZ2 H 1 7.421 0.020 . 1 . . . A 474 TRP HZ2 . 30137 1 832 . 1 1 72 72 TRP HZ3 H 1 7.073 0.020 . 1 . . . A 474 TRP HZ3 . 30137 1 833 . 1 1 72 72 TRP HH2 H 1 7.110 0.020 . 1 . . . A 474 TRP HH2 . 30137 1 834 . 1 1 72 72 TRP C C 13 174.986 0.100 . 1 . . . A 474 TRP C . 30137 1 835 . 1 1 72 72 TRP CA C 13 58.357 0.100 . 1 . . . A 474 TRP CA . 30137 1 836 . 1 1 72 72 TRP CB C 13 30.268 0.100 . 1 . . . A 474 TRP CB . 30137 1 837 . 1 1 72 72 TRP CD1 C 13 127.388 0.100 . 1 . . . A 474 TRP CD1 . 30137 1 838 . 1 1 72 72 TRP CE3 C 13 120.917 0.100 . 1 . . . A 474 TRP CE3 . 30137 1 839 . 1 1 72 72 TRP CZ2 C 13 114.705 0.100 . 1 . . . A 474 TRP CZ2 . 30137 1 840 . 1 1 72 72 TRP CZ3 C 13 121.694 0.100 . 1 . . . A 474 TRP CZ3 . 30137 1 841 . 1 1 72 72 TRP CH2 C 13 124.282 0.100 . 1 . . . A 474 TRP CH2 . 30137 1 842 . 1 1 72 72 TRP N N 15 119.783 0.100 . 1 . . . A 474 TRP N . 30137 1 843 . 1 1 72 72 TRP NE1 N 15 138.040 0.100 . 1 . . . A 474 TRP NE1 . 30137 1 844 . 1 1 73 73 SER H H 1 7.641 0.020 . 1 . . . A 475 SER H . 30137 1 845 . 1 1 73 73 SER HA H 1 4.259 0.020 . 1 . . . A 475 SER HA . 30137 1 846 . 1 1 73 73 SER HB2 H 1 3.808 0.020 . 2 . . . A 475 SER HB2 . 30137 1 847 . 1 1 73 73 SER HB3 H 1 3.808 0.020 . 2 . . . A 475 SER HB3 . 30137 1 848 . 1 1 73 73 SER N N 15 121.872 0.100 . 1 . . . A 475 SER N . 30137 1 stop_ save_