data_51487 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51487 _Entry.Title ; Chemical Shift Assignments RECQ4(322-400) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-10 _Entry.Accession_date 2022-06-10 _Entry.Last_release_date 2022-06-10 _Entry.Original_release_date 2022-06-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Anna Papageorgiou . . . . 51487 2 Konstantinos Tripsianes . . . . 51487 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51487 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 51487 '15N chemical shifts' 73 51487 '1H chemical shifts' 436 51487 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-10-27 . original BMRB . 51487 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51487 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37875529 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Recognition and coacervation of G-quadruplexes by a multifunctional disordered region in RECQ4 helicase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 6751 _Citation.Page_last 6751 _Citation.Year 2023 _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 Anna Papageorgiou A. C. . . 51487 1 2 Michaela Pospisilova M. . . . 51487 1 3 Jakub Cibulka J. . . . 51487 1 4 Raghib Ashraf R. . . . 51487 1 5 Christopher Waudby C. A. . . 51487 1 6 Pavel Kaderavek P. . . . 51487 1 7 Volha Maroz V. . . . 51487 1 8 Karel Kubicek K. . . . 51487 1 9 Zbynek Prokop Z. . . . 51487 1 10 Lumir Krejci L. . . . 51487 1 11 Konstantinos Tripsianes K. . . . 51487 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51487 _Assembly.ID 1 _Assembly.Name 'RECQ4 322-400' _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 RECQ4 1 $entity_1 . . yes native no no . . . 51487 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51487 _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 ; LSPSSQARAGKAEGTAPLHI FPRLARHDRGNYVRLNMKQK HYVRGRALRSRLLRKQAWKQ KWRKKGECFGGGGATVTTK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 1 322 LEU . 51487 1 2 323 SER . 51487 1 3 324 PRO . 51487 1 4 325 SER . 51487 1 5 326 SER . 51487 1 6 327 GLN . 51487 1 7 328 ALA . 51487 1 8 329 ARG . 51487 1 9 330 ALA . 51487 1 10 331 GLY . 51487 1 11 332 LYS . 51487 1 12 333 ALA . 51487 1 13 334 GLU . 51487 1 14 335 GLY . 51487 1 15 336 THR . 51487 1 16 337 ALA . 51487 1 17 338 PRO . 51487 1 18 339 LEU . 51487 1 19 340 HIS . 51487 1 20 341 ILE . 51487 1 21 342 PHE . 51487 1 22 343 PRO . 51487 1 23 344 ARG . 51487 1 24 345 LEU . 51487 1 25 346 ALA . 51487 1 26 347 ARG . 51487 1 27 348 HIS . 51487 1 28 349 ASP . 51487 1 29 350 ARG . 51487 1 30 351 GLY . 51487 1 31 352 ASN . 51487 1 32 353 TYR . 51487 1 33 354 VAL . 51487 1 34 355 ARG . 51487 1 35 356 LEU . 51487 1 36 357 ASN . 51487 1 37 358 MET . 51487 1 38 359 LYS . 51487 1 39 360 GLN . 51487 1 40 361 LYS . 51487 1 41 362 HIS . 51487 1 42 363 TYR . 51487 1 43 364 VAL . 51487 1 44 365 ARG . 51487 1 45 366 GLY . 51487 1 46 367 ARG . 51487 1 47 368 ALA . 51487 1 48 369 LEU . 51487 1 49 370 ARG . 51487 1 50 371 SER . 51487 1 51 372 ARG . 51487 1 52 373 LEU . 51487 1 53 374 LEU . 51487 1 54 375 ARG . 51487 1 55 376 LYS . 51487 1 56 377 GLN . 51487 1 57 378 ALA . 51487 1 58 379 TRP . 51487 1 59 380 LYS . 51487 1 60 381 GLN . 51487 1 61 382 LYS . 51487 1 62 383 TRP . 51487 1 63 384 ARG . 51487 1 64 385 LYS . 51487 1 65 386 LYS . 51487 1 66 387 GLY . 51487 1 67 388 GLU . 51487 1 68 389 CYS . 51487 1 69 390 PHE . 51487 1 70 391 GLY . 51487 1 71 392 GLY . 51487 1 72 393 GLY . 51487 1 73 394 GLY . 51487 1 74 395 ALA . 51487 1 75 396 THR . 51487 1 76 397 VAL . 51487 1 77 398 THR . 51487 1 78 399 THR . 51487 1 79 400 LYS . 51487 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 . LEU 1 1 51487 1 . SER 2 2 51487 1 . PRO 3 3 51487 1 . SER 4 4 51487 1 . SER 5 5 51487 1 . GLN 6 6 51487 1 . ALA 7 7 51487 1 . ARG 8 8 51487 1 . ALA 9 9 51487 1 . GLY 10 10 51487 1 . LYS 11 11 51487 1 . ALA 12 12 51487 1 . GLU 13 13 51487 1 . GLY 14 14 51487 1 . THR 15 15 51487 1 . ALA 16 16 51487 1 . PRO 17 17 51487 1 . LEU 18 18 51487 1 . HIS 19 19 51487 1 . ILE 20 20 51487 1 . PHE 21 21 51487 1 . PRO 22 22 51487 1 . ARG 23 23 51487 1 . LEU 24 24 51487 1 . ALA 25 25 51487 1 . ARG 26 26 51487 1 . HIS 27 27 51487 1 . ASP 28 28 51487 1 . ARG 29 29 51487 1 . GLY 30 30 51487 1 . ASN 31 31 51487 1 . TYR 32 32 51487 1 . VAL 33 33 51487 1 . ARG 34 34 51487 1 . LEU 35 35 51487 1 . ASN 36 36 51487 1 . MET 37 37 51487 1 . LYS 38 38 51487 1 . GLN 39 39 51487 1 . LYS 40 40 51487 1 . HIS 41 41 51487 1 . TYR 42 42 51487 1 . VAL 43 43 51487 1 . ARG 44 44 51487 1 . GLY 45 45 51487 1 . ARG 46 46 51487 1 . ALA 47 47 51487 1 . LEU 48 48 51487 1 . ARG 49 49 51487 1 . SER 50 50 51487 1 . ARG 51 51 51487 1 . LEU 52 52 51487 1 . LEU 53 53 51487 1 . ARG 54 54 51487 1 . LYS 55 55 51487 1 . GLN 56 56 51487 1 . ALA 57 57 51487 1 . TRP 58 58 51487 1 . LYS 59 59 51487 1 . GLN 60 60 51487 1 . LYS 61 61 51487 1 . TRP 62 62 51487 1 . ARG 63 63 51487 1 . LYS 64 64 51487 1 . LYS 65 65 51487 1 . GLY 66 66 51487 1 . GLU 67 67 51487 1 . CYS 68 68 51487 1 . PHE 69 69 51487 1 . GLY 70 70 51487 1 . GLY 71 71 51487 1 . GLY 72 72 51487 1 . GLY 73 73 51487 1 . ALA 74 74 51487 1 . THR 75 75 51487 1 . VAL 76 76 51487 1 . THR 77 77 51487 1 . THR 78 78 51487 1 . LYS 79 79 51487 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51487 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51487 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51487 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-M11 . . . 51487 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51487 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RECQ4 322-400' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 51487 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51487 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 51487 _Sample_condition_list.ID 1 _Sample_condition_list.Name NMR _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 51487 1 pH 6.0 . pH 51487 1 pressure 1 . atm 51487 1 temperature 298 . K 51487 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51487 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51487 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51487 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51487 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51487 _Software.ID 3 _Software.Type . _Software.Name SSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51487 3 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 51487 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51487 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1 3 '3D HNCB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1 4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1 6 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1 7 '4D HCNH TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 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 51487 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RECQ4 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 51487 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51487 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51487 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 51487 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RECQ4 _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 2 '3D HNCA' . . . 51487 1 3 '3D HNCB' . . . 51487 1 4 '3D CBCA(CO)NH' . . . 51487 1 5 '3D HNCO' . . . 51487 1 6 '3D HNCACO' . . . 51487 1 7 '4D HCNH TOCSY' . . . 51487 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 . . 51487 1 2 $software_2 . . 51487 1 3 $software_3 . . 51487 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LEU H H 1 8.142 0.020 . 1 . . . . . 322 LEU H . 51487 1 2 . 1 . 1 1 1 LEU HA H 1 4.383 0.020 . 1 . . . . . 322 LEU HA . 51487 1 3 . 1 . 1 1 1 LEU HB2 H 1 1.627 0.020 . 1 . . . . . 322 LEU HB2 . 51487 1 4 . 1 . 1 1 1 LEU HB3 H 1 1.573 0.020 . 1 . . . . . 322 LEU HB3 . 51487 1 5 . 1 . 1 1 1 LEU HG H 1 1.623 0.020 . 1 . . . . . 322 LEU HG . 51487 1 6 . 1 . 1 1 1 LEU HD11 H 1 0.924 0.020 . 2 . . . . . 322 LEU QD1 . 51487 1 7 . 1 . 1 1 1 LEU HD12 H 1 0.924 0.020 . 2 . . . . . 322 LEU QD1 . 51487 1 8 . 1 . 1 1 1 LEU HD13 H 1 0.924 0.020 . 2 . . . . . 322 LEU QD1 . 51487 1 9 . 1 . 1 1 1 LEU HD21 H 1 0.877 0.020 . 2 . . . . . 322 LEU QD2 . 51487 1 10 . 1 . 1 1 1 LEU HD22 H 1 0.877 0.020 . 2 . . . . . 322 LEU QD2 . 51487 1 11 . 1 . 1 1 1 LEU HD23 H 1 0.877 0.020 . 2 . . . . . 322 LEU QD2 . 51487 1 12 . 1 . 1 1 1 LEU C C 13 177.228 0.200 . 1 . . . . . 322 LEU C . 51487 1 13 . 1 . 1 1 1 LEU CA C 13 54.993 0.200 . 1 . . . . . 322 LEU CA . 51487 1 14 . 1 . 1 1 1 LEU CB C 13 42.663 0.009 . 1 . . . . . 322 LEU CB . 51487 1 15 . 1 . 1 1 1 LEU CG C 13 26.888 0.200 . 1 . . . . . 322 LEU CG . 51487 1 16 . 1 . 1 1 1 LEU CD1 C 13 24.894 0.200 . 1 . . . . . 322 LEU CD1 . 51487 1 17 . 1 . 1 1 1 LEU CD2 C 13 23.675 0.200 . 1 . . . . . 322 LEU CD2 . 51487 1 18 . 1 . 1 1 1 LEU N N 15 121.654 0.002 . 1 . . . . . 322 LEU N . 51487 1 19 . 1 . 1 2 2 SER H H 1 8.260 0.003 . 1 . . . . . 323 SER H . 51487 1 20 . 1 . 1 2 2 SER C C 13 173.179 0.200 . 1 . . . . . 323 SER C . 51487 1 21 . 1 . 1 2 2 SER CA C 13 56.360 0.200 . 1 . . . . . 323 SER CA . 51487 1 22 . 1 . 1 2 2 SER CB C 13 63.578 0.200 . 1 . . . . . 323 SER CB . 51487 1 23 . 1 . 1 2 2 SER N N 15 117.870 0.020 . 1 . . . . . 323 SER N . 51487 1 24 . 1 . 1 3 3 PRO HA H 1 4.465 0.020 . 1 . . . . . 324 PRO HA . 51487 1 25 . 1 . 1 3 3 PRO HB2 H 1 2.342 0.020 . 1 . . . . . 324 PRO HB2 . 51487 1 26 . 1 . 1 3 3 PRO HB3 H 1 1.991 0.020 . 1 . . . . . 324 PRO HB3 . 51487 1 27 . 1 . 1 3 3 PRO HG2 H 1 2.049 0.020 . 2 . . . . . 324 PRO QG . 51487 1 28 . 1 . 1 3 3 PRO HG3 H 1 2.049 0.020 . 2 . . . . . 324 PRO QG . 51487 1 29 . 1 . 1 3 3 PRO HD2 H 1 3.836 0.020 . 1 . . . . . 324 PRO HD2 . 51487 1 30 . 1 . 1 3 3 PRO HD3 H 1 3.761 0.020 . 1 . . . . . 324 PRO HD3 . 51487 1 31 . 1 . 1 3 3 PRO C C 13 177.497 0.200 . 1 . . . . . 324 PRO C . 51487 1 32 . 1 . 1 3 3 PRO CA C 13 63.887 0.200 . 1 . . . . . 324 PRO CA . 51487 1 33 . 1 . 1 3 3 PRO CB C 13 32.209 0.060 . 1 . . . . . 324 PRO CB . 51487 1 34 . 1 . 1 3 3 PRO CG C 13 27.782 0.200 . 1 . . . . . 324 PRO CG . 51487 1 35 . 1 . 1 3 3 PRO CD C 13 50.900 0.017 . 1 . . . . . 324 PRO CD . 51487 1 36 . 1 . 1 4 4 SER H H 1 8.285 0.005 . 1 . . . . . 325 SER H . 51487 1 37 . 1 . 1 4 4 SER HA H 1 4.450 0.020 . 1 . . . . . 325 SER HA . 51487 1 38 . 1 . 1 4 4 SER HB2 H 1 3.940 0.020 . 1 . . . . . 325 SER HB2 . 51487 1 39 . 1 . 1 4 4 SER HB3 H 1 3.892 0.020 . 1 . . . . . 325 SER HB3 . 51487 1 40 . 1 . 1 4 4 SER C C 13 175.169 0.200 . 1 . . . . . 325 SER C . 51487 1 41 . 1 . 1 4 4 SER CA C 13 58.825 0.200 . 1 . . . . . 325 SER CA . 51487 1 42 . 1 . 1 4 4 SER CB C 13 63.395 0.045 . 1 . . . . . 325 SER CB . 51487 1 43 . 1 . 1 4 4 SER N N 15 115.081 0.012 . 1 . . . . . 325 SER N . 51487 1 44 . 1 . 1 5 5 SER H H 1 8.211 0.001 . 1 . . . . . 326 SER H . 51487 1 45 . 1 . 1 5 5 SER HA H 1 4.434 0.020 . 1 . . . . . 326 SER HA . 51487 1 46 . 1 . 1 5 5 SER HB2 H 1 3.948 0.020 . 1 . . . . . 326 SER HB2 . 51487 1 47 . 1 . 1 5 5 SER HB3 H 1 3.898 0.020 . 1 . . . . . 326 SER HB3 . 51487 1 48 . 1 . 1 5 5 SER C C 13 174.933 0.200 . 1 . . . . . 326 SER C . 51487 1 49 . 1 . 1 5 5 SER CA C 13 59.032 0.200 . 1 . . . . . 326 SER CA . 51487 1 50 . 1 . 1 5 5 SER CB C 13 63.454 0.022 . 1 . . . . . 326 SER CB . 51487 1 51 . 1 . 1 5 5 SER N N 15 117.673 0.007 . 1 . . . . . 326 SER N . 51487 1 52 . 1 . 1 6 6 GLN H H 1 8.221 0.001 . 1 . . . . . 327 GLN H . 51487 1 53 . 1 . 1 6 6 GLN HA H 1 4.318 0.020 . 1 . . . . . 327 GLN HA . 51487 1 54 . 1 . 1 6 6 GLN HB2 H 1 2.142 0.020 . 1 . . . . . 327 GLN HB2 . 51487 1 55 . 1 . 1 6 6 GLN HB3 H 1 1.972 0.020 . 1 . . . . . 327 GLN HB3 . 51487 1 56 . 1 . 1 6 6 GLN HG2 H 1 2.375 0.020 . 2 . . . . . 327 GLN QG . 51487 1 57 . 1 . 1 6 6 GLN HG3 H 1 2.375 0.020 . 2 . . . . . 327 GLN QG . 51487 1 58 . 1 . 1 6 6 GLN C C 13 175.997 0.200 . 1 . . . . . 327 GLN C . 51487 1 59 . 1 . 1 6 6 GLN CA C 13 56.265 0.200 . 1 . . . . . 327 GLN CA . 51487 1 60 . 1 . 1 6 6 GLN CB C 13 29.589 0.090 . 1 . . . . . 327 GLN CB . 51487 1 61 . 1 . 1 6 6 GLN CG C 13 33.998 0.200 . 1 . . . . . 327 GLN CG . 51487 1 62 . 1 . 1 6 6 GLN N N 15 121.795 0.016 . 1 . . . . . 327 GLN N . 51487 1 63 . 1 . 1 7 7 ALA H H 1 8.131 0.004 . 1 . . . . . 328 ALA H . 51487 1 64 . 1 . 1 7 7 ALA HA H 1 4.294 0.020 . 1 . . . . . 328 ALA HA . 51487 1 65 . 1 . 1 7 7 ALA HB1 H 1 1.398 0.020 . 1 . . . . . 328 ALA HB# . 51487 1 66 . 1 . 1 7 7 ALA HB2 H 1 1.398 0.020 . 1 . . . . . 328 ALA HB# . 51487 1 67 . 1 . 1 7 7 ALA HB3 H 1 1.398 0.020 . 1 . . . . . 328 ALA HB# . 51487 1 68 . 1 . 1 7 7 ALA C C 13 177.908 0.200 . 1 . . . . . 328 ALA C . 51487 1 69 . 1 . 1 7 7 ALA CA C 13 52.944 0.200 . 1 . . . . . 328 ALA CA . 51487 1 70 . 1 . 1 7 7 ALA CB C 13 19.177 0.200 . 1 . . . . . 328 ALA CB . 51487 1 71 . 1 . 1 7 7 ALA N N 15 124.617 0.027 . 1 . . . . . 328 ALA N . 51487 1 72 . 1 . 1 8 8 ARG H H 1 8.142 0.020 . 1 . . . . . 329 ARG H . 51487 1 73 . 1 . 1 8 8 ARG HA H 1 4.318 0.020 . 1 . . . . . 329 ARG HA . 51487 1 74 . 1 . 1 8 8 ARG HB2 H 1 1.887 0.020 . 1 . . . . . 329 ARG HB2 . 51487 1 75 . 1 . 1 8 8 ARG HB3 H 1 1.771 0.020 . 1 . . . . . 329 ARG HB3 . 51487 1 76 . 1 . 1 8 8 ARG HG2 H 1 1.650 0.020 . 2 . . . . . 329 ARG QG . 51487 1 77 . 1 . 1 8 8 ARG HG3 H 1 1.650 0.020 . 2 . . . . . 329 ARG QG . 51487 1 78 . 1 . 1 8 8 ARG HD2 H 1 3.211 0.020 . 2 . . . . . 329 ARG QD . 51487 1 79 . 1 . 1 8 8 ARG HD3 H 1 3.211 0.020 . 2 . . . . . 329 ARG QD . 51487 1 80 . 1 . 1 8 8 ARG C C 13 176.109 0.200 . 1 . . . . . 329 ARG C . 51487 1 81 . 1 . 1 8 8 ARG CA C 13 56.139 0.200 . 1 . . . . . 329 ARG CA . 51487 1 82 . 1 . 1 8 8 ARG CB C 13 30.910 0.200 . 1 . . . . . 329 ARG CB . 51487 1 83 . 1 . 1 8 8 ARG CG C 13 27.203 0.200 . 1 . . . . . 329 ARG CG . 51487 1 84 . 1 . 1 8 8 ARG CD C 13 43.553 0.200 . 1 . . . . . 329 ARG CD . 51487 1 85 . 1 . 1 8 8 ARG N N 15 119.834 0.007 . 1 . . . . . 329 ARG N . 51487 1 86 . 1 . 1 9 9 ALA H H 1 8.172 0.002 . 1 . . . . . 330 ALA H . 51487 1 87 . 1 . 1 9 9 ALA HA H 1 4.335 0.020 . 1 . . . . . 330 ALA HA . 51487 1 88 . 1 . 1 9 9 ALA HB1 H 1 1.411 0.020 . 1 . . . . . 330 ALA HB# . 51487 1 89 . 1 . 1 9 9 ALA HB2 H 1 1.411 0.020 . 1 . . . . . 330 ALA HB# . 51487 1 90 . 1 . 1 9 9 ALA HB3 H 1 1.411 0.020 . 1 . . . . . 330 ALA HB# . 51487 1 91 . 1 . 1 9 9 ALA C C 13 178.189 0.200 . 1 . . . . . 330 ALA C . 51487 1 92 . 1 . 1 9 9 ALA CA C 13 52.720 0.200 . 1 . . . . . 330 ALA CA . 51487 1 93 . 1 . 1 9 9 ALA CB C 13 19.401 0.200 . 1 . . . . . 330 ALA CB . 51487 1 94 . 1 . 1 9 9 ALA N N 15 124.867 0.005 . 1 . . . . . 330 ALA N . 51487 1 95 . 1 . 1 10 10 GLY H H 1 8.287 0.001 . 1 . . . . . 331 GLY H . 51487 1 96 . 1 . 1 10 10 GLY HA2 H 1 3.958 0.020 . 2 . . . . . 331 GLY QA . 51487 1 97 . 1 . 1 10 10 GLY HA3 H 1 3.958 0.020 . 2 . . . . . 331 GLY QA . 51487 1 98 . 1 . 1 10 10 GLY C C 13 174.104 0.200 . 1 . . . . . 331 GLY C . 51487 1 99 . 1 . 1 10 10 GLY CA C 13 45.396 0.200 . 1 . . . . . 331 GLY CA . 51487 1 100 . 1 . 1 10 10 GLY N N 15 108.269 0.001 . 1 . . . . . 331 GLY N . 51487 1 101 . 1 . 1 11 11 LYS H H 1 8.068 0.020 . 1 . . . . . 332 LYS H . 51487 1 102 . 1 . 1 11 11 LYS HA H 1 4.340 0.020 . 1 . . . . . 332 LYS HA . 51487 1 103 . 1 . 1 11 11 LYS HB2 H 1 1.848 0.020 . 1 . . . . . 332 LYS HB2 . 51487 1 104 . 1 . 1 11 11 LYS HB3 H 1 1.749 0.020 . 1 . . . . . 332 LYS HB3 . 51487 1 105 . 1 . 1 11 11 LYS HG2 H 1 1.417 0.020 . 2 . . . . . 332 LYS QG . 51487 1 106 . 1 . 1 11 11 LYS HG3 H 1 1.417 0.020 . 2 . . . . . 332 LYS QG . 51487 1 107 . 1 . 1 11 11 LYS HD2 H 1 1.684 0.020 . 2 . . . . . 332 LYS QD . 51487 1 108 . 1 . 1 11 11 LYS HD3 H 1 1.684 0.020 . 2 . . . . . 332 LYS QD . 51487 1 109 . 1 . 1 11 11 LYS HE2 H 1 3.006 0.020 . 2 . . . . . 332 LYS QE . 51487 1 110 . 1 . 1 11 11 LYS HE3 H 1 3.006 0.020 . 2 . . . . . 332 LYS QE . 51487 1 111 . 1 . 1 11 11 LYS C C 13 176.385 0.200 . 1 . . . . . 332 LYS C . 51487 1 112 . 1 . 1 11 11 LYS CA C 13 56.233 0.200 . 1 . . . . . 332 LYS CA . 51487 1 113 . 1 . 1 11 11 LYS CB C 13 33.365 0.006 . 1 . . . . . 332 LYS CB . 51487 1 114 . 1 . 1 11 11 LYS CG C 13 24.754 0.200 . 1 . . . . . 332 LYS CG . 51487 1 115 . 1 . 1 11 11 LYS CD C 13 29.120 0.200 . 1 . . . . . 332 LYS CD . 51487 1 116 . 1 . 1 11 11 LYS CE C 13 42.209 0.200 . 1 . . . . . 332 LYS CE . 51487 1 117 . 1 . 1 11 11 LYS N N 15 120.836 0.200 . 1 . . . . . 332 LYS N . 51487 1 118 . 1 . 1 12 12 ALA H H 1 8.329 0.002 . 1 . . . . . 333 ALA H . 51487 1 119 . 1 . 1 12 12 ALA HA H 1 4.343 0.020 . 1 . . . . . 333 ALA HA . 51487 1 120 . 1 . 1 12 12 ALA HB1 H 1 1.388 0.020 . 1 . . . . . 333 ALA HB# . 51487 1 121 . 1 . 1 12 12 ALA HB2 H 1 1.388 0.020 . 1 . . . . . 333 ALA HB# . 51487 1 122 . 1 . 1 12 12 ALA HB3 H 1 1.388 0.020 . 1 . . . . . 333 ALA HB# . 51487 1 123 . 1 . 1 12 12 ALA C C 13 177.728 0.200 . 1 . . . . . 333 ALA C . 51487 1 124 . 1 . 1 12 12 ALA CA C 13 52.572 0.200 . 1 . . . . . 333 ALA CA . 51487 1 125 . 1 . 1 12 12 ALA CB C 13 19.290 0.200 . 1 . . . . . 333 ALA CB . 51487 1 126 . 1 . 1 12 12 ALA N N 15 125.587 0.010 . 1 . . . . . 333 ALA N . 51487 1 127 . 1 . 1 13 13 GLU H H 1 8.385 0.020 . 1 . . . . . 334 GLU H . 51487 1 128 . 1 . 1 13 13 GLU HA H 1 4.307 0.020 . 1 . . . . . 334 GLU HA . 51487 1 129 . 1 . 1 13 13 GLU HB2 H 1 2.077 0.020 . 1 . . . . . 334 GLU HB2 . 51487 1 130 . 1 . 1 13 13 GLU HB3 H 1 1.963 0.020 . 1 . . . . . 334 GLU HB3 . 51487 1 131 . 1 . 1 13 13 GLU HG2 H 1 2.279 0.020 . 2 . . . . . 334 GLU QG . 51487 1 132 . 1 . 1 13 13 GLU HG3 H 1 2.279 0.020 . 2 . . . . . 334 GLU QG . 51487 1 133 . 1 . 1 13 13 GLU C C 13 177.118 0.200 . 1 . . . . . 334 GLU C . 51487 1 134 . 1 . 1 13 13 GLU CA C 13 56.859 0.200 . 1 . . . . . 334 GLU CA . 51487 1 135 . 1 . 1 13 13 GLU CB C 13 30.595 0.057 . 1 . . . . . 334 GLU CB . 51487 1 136 . 1 . 1 13 13 GLU CG C 13 36.390 0.200 . 1 . . . . . 334 GLU CG . 51487 1 137 . 1 . 1 13 13 GLU N N 15 120.639 0.200 . 1 . . . . . 334 GLU N . 51487 1 138 . 1 . 1 14 14 GLY H H 1 8.372 0.003 . 1 . . . . . 335 GLY H . 51487 1 139 . 1 . 1 14 14 GLY HA2 H 1 4.016 0.020 . 2 . . . . . 335 GLY QA . 51487 1 140 . 1 . 1 14 14 GLY HA3 H 1 4.016 0.020 . 2 . . . . . 335 GLY QA . 51487 1 141 . 1 . 1 14 14 GLY C C 13 174.341 0.200 . 1 . . . . . 335 GLY C . 51487 1 142 . 1 . 1 14 14 GLY CA C 13 45.516 0.200 . 1 . . . . . 335 GLY CA . 51487 1 143 . 1 . 1 14 14 GLY N N 15 109.755 0.007 . 1 . . . . . 335 GLY N . 51487 1 144 . 1 . 1 15 15 THR H H 1 7.964 0.020 . 1 . . . . . 336 THR H . 51487 1 145 . 1 . 1 15 15 THR HA H 1 4.338 0.020 . 1 . . . . . 336 THR HA . 51487 1 146 . 1 . 1 15 15 THR HB H 1 4.209 0.020 . 1 . . . . . 336 THR HB . 51487 1 147 . 1 . 1 15 15 THR HG21 H 1 1.195 0.020 . 1 . . . . . 336 THR QG2 . 51487 1 148 . 1 . 1 15 15 THR HG22 H 1 1.195 0.020 . 1 . . . . . 336 THR QG2 . 51487 1 149 . 1 . 1 15 15 THR HG23 H 1 1.195 0.020 . 1 . . . . . 336 THR QG2 . 51487 1 150 . 1 . 1 15 15 THR C C 13 174.181 0.200 . 1 . . . . . 336 THR C . 51487 1 151 . 1 . 1 15 15 THR CA C 13 61.753 0.200 . 1 . . . . . 336 THR CA . 51487 1 152 . 1 . 1 15 15 THR CB C 13 70.047 0.200 . 1 . . . . . 336 THR CB . 51487 1 153 . 1 . 1 15 15 THR CG2 C 13 21.708 0.200 . 1 . . . . . 336 THR CG2 . 51487 1 154 . 1 . 1 15 15 THR N N 15 113.285 0.200 . 1 . . . . . 336 THR N . 51487 1 155 . 1 . 1 16 16 ALA H H 1 8.240 0.020 . 1 . . . . . 337 ALA H . 51487 1 156 . 1 . 1 16 16 ALA C C 13 175.517 0.200 . 1 . . . . . 337 ALA C . 51487 1 157 . 1 . 1 16 16 ALA CA C 13 50.825 0.200 . 1 . . . . . 337 ALA CA . 51487 1 158 . 1 . 1 16 16 ALA CB C 13 18.380 0.200 . 1 . . . . . 337 ALA CB . 51487 1 159 . 1 . 1 16 16 ALA N N 15 127.838 0.005 . 1 . . . . . 337 ALA N . 51487 1 160 . 1 . 1 17 17 PRO HA H 1 4.403 0.020 . 1 . . . . . 338 PRO HA . 51487 1 161 . 1 . 1 17 17 PRO HB2 H 1 2.260 0.020 . 1 . . . . . 338 PRO HB2 . 51487 1 162 . 1 . 1 17 17 PRO HB3 H 1 1.804 0.020 . 1 . . . . . 338 PRO HB3 . 51487 1 163 . 1 . 1 17 17 PRO HG2 H 1 2.003 0.020 . 2 . . . . . 338 PRO QG . 51487 1 164 . 1 . 1 17 17 PRO HG3 H 1 2.003 0.020 . 2 . . . . . 338 PRO QG . 51487 1 165 . 1 . 1 17 17 PRO HD2 H 1 3.793 0.020 . 1 . . . . . 338 PRO HD2 . 51487 1 166 . 1 . 1 17 17 PRO HD3 H 1 3.622 0.020 . 1 . . . . . 338 PRO HD3 . 51487 1 167 . 1 . 1 17 17 PRO C C 13 176.747 0.200 . 1 . . . . . 338 PRO C . 51487 1 168 . 1 . 1 17 17 PRO CA C 13 63.053 0.200 . 1 . . . . . 338 PRO CA . 51487 1 169 . 1 . 1 17 17 PRO CB C 13 32.100 0.035 . 1 . . . . . 338 PRO CB . 51487 1 170 . 1 . 1 17 17 PRO CG C 13 27.392 0.200 . 1 . . . . . 338 PRO CG . 51487 1 171 . 1 . 1 17 17 PRO CD C 13 50.552 0.026 . 1 . . . . . 338 PRO CD . 51487 1 172 . 1 . 1 18 18 LEU H H 1 8.141 0.001 . 1 . . . . . 339 LEU H . 51487 1 173 . 1 . 1 18 18 LEU HA H 1 4.239 0.020 . 1 . . . . . 339 LEU HA . 51487 1 174 . 1 . 1 18 18 LEU HD11 H 1 0.913 0.020 . 2 . . . . . 339 LEU QD1 . 51487 1 175 . 1 . 1 18 18 LEU HD12 H 1 0.913 0.020 . 2 . . . . . 339 LEU QD1 . 51487 1 176 . 1 . 1 18 18 LEU HD13 H 1 0.913 0.020 . 2 . . . . . 339 LEU QD1 . 51487 1 177 . 1 . 1 18 18 LEU HD21 H 1 0.855 0.020 . 2 . . . . . 339 LEU QD2 . 51487 1 178 . 1 . 1 18 18 LEU HD22 H 1 0.855 0.020 . 2 . . . . . 339 LEU QD2 . 51487 1 179 . 1 . 1 18 18 LEU HD23 H 1 0.855 0.020 . 2 . . . . . 339 LEU QD2 . 51487 1 180 . 1 . 1 18 18 LEU C C 13 177.160 0.200 . 1 . . . . . 339 LEU C . 51487 1 181 . 1 . 1 18 18 LEU CA C 13 55.426 0.200 . 1 . . . . . 339 LEU CA . 51487 1 182 . 1 . 1 18 18 LEU CB C 13 42.607 0.200 . 1 . . . . . 339 LEU CB . 51487 1 183 . 1 . 1 18 18 LEU CD1 C 13 24.633 0.200 . 1 . . . . . 339 LEU CD1 . 51487 1 184 . 1 . 1 18 18 LEU CD2 C 13 23.859 0.200 . 1 . . . . . 339 LEU CD2 . 51487 1 185 . 1 . 1 18 18 LEU N N 15 121.620 0.010 . 1 . . . . . 339 LEU N . 51487 1 186 . 1 . 1 19 19 HIS H H 1 8.213 0.012 . 1 . . . . . 340 HIS H . 51487 1 187 . 1 . 1 19 19 HIS HB2 H 1 3.036 0.020 . 2 . . . . . 340 HIS QB . 51487 1 188 . 1 . 1 19 19 HIS HB3 H 1 3.036 0.020 . 2 . . . . . 340 HIS QB . 51487 1 189 . 1 . 1 19 19 HIS C C 13 174.409 0.200 . 1 . . . . . 340 HIS C . 51487 1 190 . 1 . 1 19 19 HIS CA C 13 55.651 0.200 . 1 . . . . . 340 HIS CA . 51487 1 191 . 1 . 1 19 19 HIS CB C 13 30.349 0.200 . 1 . . . . . 340 HIS CB . 51487 1 192 . 1 . 1 19 19 HIS N N 15 119.362 0.029 . 1 . . . . . 340 HIS N . 51487 1 193 . 1 . 1 20 20 ILE H H 1 7.777 0.020 . 1 . . . . . 341 ILE H . 51487 1 194 . 1 . 1 20 20 ILE HA H 1 4.106 0.020 . 1 . . . . . 341 ILE HA . 51487 1 195 . 1 . 1 20 20 ILE HB H 1 1.707 0.020 . 1 . . . . . 341 ILE HB . 51487 1 196 . 1 . 1 20 20 ILE HG21 H 1 0.742 0.020 . 1 . . . . . 341 ILE QG2 . 51487 1 197 . 1 . 1 20 20 ILE HG22 H 1 0.742 0.020 . 1 . . . . . 341 ILE QG2 . 51487 1 198 . 1 . 1 20 20 ILE HG23 H 1 0.742 0.020 . 1 . . . . . 341 ILE QG2 . 51487 1 199 . 1 . 1 20 20 ILE HD11 H 1 0.778 0.020 . 1 . . . . . 341 ILE QD1 . 51487 1 200 . 1 . 1 20 20 ILE HD12 H 1 0.778 0.020 . 1 . . . . . 341 ILE QD1 . 51487 1 201 . 1 . 1 20 20 ILE HD13 H 1 0.778 0.020 . 1 . . . . . 341 ILE QD1 . 51487 1 202 . 1 . 1 20 20 ILE C C 13 175.382 0.200 . 1 . . . . . 341 ILE C . 51487 1 203 . 1 . 1 20 20 ILE CA C 13 60.828 0.200 . 1 . . . . . 341 ILE CA . 51487 1 204 . 1 . 1 20 20 ILE CB C 13 38.959 0.200 . 1 . . . . . 341 ILE CB . 51487 1 205 . 1 . 1 20 20 ILE CG2 C 13 17.488 0.200 . 1 . . . . . 341 ILE CG2 . 51487 1 206 . 1 . 1 20 20 ILE CD1 C 13 12.872 0.200 . 1 . . . . . 341 ILE CD1 . 51487 1 207 . 1 . 1 20 20 ILE N N 15 121.323 0.200 . 1 . . . . . 341 ILE N . 51487 1 208 . 1 . 1 21 21 PHE H H 1 8.200 0.003 . 1 . . . . . 342 PHE H . 51487 1 209 . 1 . 1 21 21 PHE C C 13 173.961 0.200 . 1 . . . . . 342 PHE C . 51487 1 210 . 1 . 1 21 21 PHE CA C 13 55.724 0.200 . 1 . . . . . 342 PHE CA . 51487 1 211 . 1 . 1 21 21 PHE CB C 13 39.119 0.200 . 1 . . . . . 342 PHE CB . 51487 1 212 . 1 . 1 21 21 PHE N N 15 124.834 0.008 . 1 . . . . . 342 PHE N . 51487 1 213 . 1 . 1 22 22 PRO HA H 1 4.417 0.020 . 1 . . . . . 343 PRO HA . 51487 1 214 . 1 . 1 22 22 PRO HB2 H 1 2.282 0.020 . 1 . . . . . 343 PRO HB2 . 51487 1 215 . 1 . 1 22 22 PRO HB3 H 1 1.901 0.020 . 1 . . . . . 343 PRO HB3 . 51487 1 216 . 1 . 1 22 22 PRO HG2 H 1 2.014 0.020 . 2 . . . . . 343 PRO QG . 51487 1 217 . 1 . 1 22 22 PRO HG3 H 1 2.014 0.020 . 2 . . . . . 343 PRO QG . 51487 1 218 . 1 . 1 22 22 PRO HD2 H 1 3.808 0.020 . 1 . . . . . 343 PRO HD2 . 51487 1 219 . 1 . 1 22 22 PRO HD3 H 1 3.633 0.020 . 1 . . . . . 343 PRO HD3 . 51487 1 220 . 1 . 1 22 22 PRO C C 13 176.802 0.200 . 1 . . . . . 343 PRO C . 51487 1 221 . 1 . 1 22 22 PRO CA C 13 63.443 0.200 . 1 . . . . . 343 PRO CA . 51487 1 222 . 1 . 1 22 22 PRO CB C 13 32.175 0.022 . 1 . . . . . 343 PRO CB . 51487 1 223 . 1 . 1 22 22 PRO CG C 13 27.363 0.200 . 1 . . . . . 343 PRO CG . 51487 1 224 . 1 . 1 22 22 PRO CD C 13 50.841 0.007 . 1 . . . . . 343 PRO CD . 51487 1 225 . 1 . 1 23 23 ARG H H 1 8.273 0.004 . 1 . . . . . 344 ARG H . 51487 1 226 . 1 . 1 23 23 ARG C C 13 176.356 0.200 . 1 . . . . . 344 ARG C . 51487 1 227 . 1 . 1 23 23 ARG CA C 13 56.406 0.200 . 1 . . . . . 344 ARG CA . 51487 1 228 . 1 . 1 23 23 ARG CB C 13 30.734 0.200 . 1 . . . . . 344 ARG CB . 51487 1 229 . 1 . 1 23 23 ARG N N 15 120.902 0.035 . 1 . . . . . 344 ARG N . 51487 1 230 . 1 . 1 24 24 LEU H H 1 8.132 0.020 . 1 . . . . . 345 LEU H . 51487 1 231 . 1 . 1 24 24 LEU HA H 1 4.360 0.020 . 1 . . . . . 345 LEU HA . 51487 1 232 . 1 . 1 24 24 LEU HB2 H 1 1.588 0.020 . 1 . . . . . 345 LEU HB2 . 51487 1 233 . 1 . 1 24 24 LEU HB3 H 1 1.632 0.020 . 1 . . . . . 345 LEU HB3 . 51487 1 234 . 1 . 1 24 24 LEU HG H 1 1.618 0.020 . 1 . . . . . 345 LEU HG . 51487 1 235 . 1 . 1 24 24 LEU HD11 H 1 0.915 0.020 . 2 . . . . . 345 LEU QD1 . 51487 1 236 . 1 . 1 24 24 LEU HD12 H 1 0.915 0.020 . 2 . . . . . 345 LEU QD1 . 51487 1 237 . 1 . 1 24 24 LEU HD13 H 1 0.915 0.020 . 2 . . . . . 345 LEU QD1 . 51487 1 238 . 1 . 1 24 24 LEU HD21 H 1 0.864 0.020 . 2 . . . . . 345 LEU QD2 . 51487 1 239 . 1 . 1 24 24 LEU HD22 H 1 0.864 0.020 . 2 . . . . . 345 LEU QD2 . 51487 1 240 . 1 . 1 24 24 LEU HD23 H 1 0.864 0.020 . 2 . . . . . 345 LEU QD2 . 51487 1 241 . 1 . 1 24 24 LEU C C 13 176.971 0.200 . 1 . . . . . 345 LEU C . 51487 1 242 . 1 . 1 24 24 LEU CA C 13 55.085 0.200 . 1 . . . . . 345 LEU CA . 51487 1 243 . 1 . 1 24 24 LEU CB C 13 42.558 0.081 . 1 . . . . . 345 LEU CB . 51487 1 244 . 1 . 1 24 24 LEU CG C 13 27.329 0.200 . 1 . . . . . 345 LEU CG . 51487 1 245 . 1 . 1 24 24 LEU CD1 C 13 24.916 0.200 . 1 . . . . . 345 LEU CD1 . 51487 1 246 . 1 . 1 24 24 LEU CD2 C 13 23.654 0.200 . 1 . . . . . 345 LEU CD2 . 51487 1 247 . 1 . 1 24 24 LEU N N 15 123.075 0.200 . 1 . . . . . 345 LEU N . 51487 1 248 . 1 . 1 25 25 ALA H H 1 8.197 0.002 . 1 . . . . . 346 ALA H . 51487 1 249 . 1 . 1 25 25 ALA HA H 1 4.309 0.020 . 1 . . . . . 346 ALA HA . 51487 1 250 . 1 . 1 25 25 ALA HB1 H 1 1.341 0.020 . 1 . . . . . 346 ALA HB# . 51487 1 251 . 1 . 1 25 25 ALA HB2 H 1 1.341 0.020 . 1 . . . . . 346 ALA HB# . 51487 1 252 . 1 . 1 25 25 ALA HB3 H 1 1.341 0.020 . 1 . . . . . 346 ALA HB# . 51487 1 253 . 1 . 1 25 25 ALA C C 13 177.546 0.200 . 1 . . . . . 346 ALA C . 51487 1 254 . 1 . 1 25 25 ALA CA C 13 52.458 0.200 . 1 . . . . . 346 ALA CA . 51487 1 255 . 1 . 1 25 25 ALA CB C 13 19.395 0.200 . 1 . . . . . 346 ALA CB . 51487 1 256 . 1 . 1 25 25 ALA N N 15 125.014 0.008 . 1 . . . . . 346 ALA N . 51487 1 257 . 1 . 1 26 26 ARG H H 1 8.161 0.002 . 1 . . . . . 347 ARG H . 51487 1 258 . 1 . 1 26 26 ARG CA C 13 56.308 0.200 . 1 . . . . . 347 ARG CA . 51487 1 259 . 1 . 1 26 26 ARG N N 15 119.858 0.003 . 1 . . . . . 347 ARG N . 51487 1 260 . 1 . 1 27 27 HIS H H 1 8.270 0.001 . 1 . . . . . 348 HIS H . 51487 1 261 . 1 . 1 27 27 HIS HB2 H 1 3.174 0.020 . 1 . . . . . 348 HIS HB2 . 51487 1 262 . 1 . 1 27 27 HIS HB3 H 1 3.087 0.020 . 1 . . . . . 348 HIS HB3 . 51487 1 263 . 1 . 1 27 27 HIS C C 13 174.859 0.200 . 1 . . . . . 348 HIS C . 51487 1 264 . 1 . 1 27 27 HIS CB C 13 30.420 0.050 . 1 . . . . . 348 HIS CB . 51487 1 265 . 1 . 1 27 27 HIS N N 15 119.856 0.200 . 1 . . . . . 348 HIS N . 51487 1 266 . 1 . 1 28 28 ASP H H 1 8.269 0.002 . 1 . . . . . 349 ASP H . 51487 1 267 . 1 . 1 28 28 ASP HA H 1 4.618 0.020 . 1 . . . . . 349 ASP HA . 51487 1 268 . 1 . 1 28 28 ASP HB2 H 1 2.666 0.020 . 2 . . . . . 349 ASP QB . 51487 1 269 . 1 . 1 28 28 ASP HB3 H 1 2.666 0.020 . 2 . . . . . 349 ASP QB . 51487 1 270 . 1 . 1 28 28 ASP C C 13 176.339 0.200 . 1 . . . . . 349 ASP C . 51487 1 271 . 1 . 1 28 28 ASP CA C 13 54.404 0.200 . 1 . . . . . 349 ASP CA . 51487 1 272 . 1 . 1 28 28 ASP CB C 13 41.327 0.200 . 1 . . . . . 349 ASP CB . 51487 1 273 . 1 . 1 28 28 ASP N N 15 121.495 0.007 . 1 . . . . . 349 ASP N . 51487 1 274 . 1 . 1 29 29 ARG H H 1 8.322 0.020 . 1 . . . . . 350 ARG H . 51487 1 275 . 1 . 1 29 29 ARG HA H 1 4.318 0.020 . 1 . . . . . 350 ARG HA . 51487 1 276 . 1 . 1 29 29 ARG HB2 H 1 1.939 0.020 . 2 . . . . . 350 ARG QB . 51487 1 277 . 1 . 1 29 29 ARG HB3 H 1 1.939 0.020 . 2 . . . . . 350 ARG QB . 51487 1 278 . 1 . 1 29 29 ARG HG2 H 1 1.660 0.020 . 2 . . . . . 350 ARG QG . 51487 1 279 . 1 . 1 29 29 ARG HG3 H 1 1.660 0.020 . 2 . . . . . 350 ARG QG . 51487 1 280 . 1 . 1 29 29 ARG HD2 H 1 3.188 0.020 . 2 . . . . . 350 ARG QD . 51487 1 281 . 1 . 1 29 29 ARG HD3 H 1 3.188 0.020 . 2 . . . . . 350 ARG QD . 51487 1 282 . 1 . 1 29 29 ARG C C 13 176.991 0.200 . 1 . . . . . 350 ARG C . 51487 1 283 . 1 . 1 29 29 ARG CA C 13 56.589 0.200 . 1 . . . . . 350 ARG CA . 51487 1 284 . 1 . 1 29 29 ARG CB C 13 30.722 0.200 . 1 . . . . . 350 ARG CB . 51487 1 285 . 1 . 1 29 29 ARG CG C 13 27.247 0.200 . 1 . . . . . 350 ARG CG . 51487 1 286 . 1 . 1 29 29 ARG CD C 13 43.578 0.200 . 1 . . . . . 350 ARG CD . 51487 1 287 . 1 . 1 29 29 ARG N N 15 121.227 0.001 . 1 . . . . . 350 ARG N . 51487 1 288 . 1 . 1 30 30 GLY H H 1 8.392 0.004 . 1 . . . . . 351 GLY H . 51487 1 289 . 1 . 1 30 30 GLY HA2 H 1 3.907 0.020 . 2 . . . . . 351 GLY QA . 51487 1 290 . 1 . 1 30 30 GLY HA3 H 1 3.907 0.020 . 2 . . . . . 351 GLY QA . 51487 1 291 . 1 . 1 30 30 GLY C C 13 174.023 0.200 . 1 . . . . . 351 GLY C . 51487 1 292 . 1 . 1 30 30 GLY CA C 13 45.653 0.200 . 1 . . . . . 351 GLY CA . 51487 1 293 . 1 . 1 30 30 GLY N N 15 108.840 0.017 . 1 . . . . . 351 GLY N . 51487 1 294 . 1 . 1 31 31 ASN H H 1 8.174 0.020 . 1 . . . . . 352 ASN H . 51487 1 295 . 1 . 1 31 31 ASN HA H 1 4.675 0.020 . 1 . . . . . 352 ASN HA . 51487 1 296 . 1 . 1 31 31 ASN HB2 H 1 2.743 0.020 . 1 . . . . . 352 ASN HB2 . 51487 1 297 . 1 . 1 31 31 ASN HB3 H 1 2.676 0.020 . 1 . . . . . 352 ASN HB3 . 51487 1 298 . 1 . 1 31 31 ASN C C 13 175.010 0.200 . 1 . . . . . 352 ASN C . 51487 1 299 . 1 . 1 31 31 ASN CA C 13 53.398 0.200 . 1 . . . . . 352 ASN CA . 51487 1 300 . 1 . 1 31 31 ASN CB C 13 39.047 0.032 . 1 . . . . . 352 ASN CB . 51487 1 301 . 1 . 1 31 31 ASN N N 15 118.571 0.200 . 1 . . . . . 352 ASN N . 51487 1 302 . 1 . 1 32 32 TYR H H 1 8.026 0.020 . 1 . . . . . 353 TYR H . 51487 1 303 . 1 . 1 32 32 TYR HA H 1 4.542 0.020 . 1 . . . . . 353 TYR HA . 51487 1 304 . 1 . 1 32 32 TYR HB2 H 1 3.047 0.020 . 1 . . . . . 353 TYR HB2 . 51487 1 305 . 1 . 1 32 32 TYR HB3 H 1 2.962 0.020 . 1 . . . . . 353 TYR HB3 . 51487 1 306 . 1 . 1 32 32 TYR C C 13 175.802 0.200 . 1 . . . . . 353 TYR C . 51487 1 307 . 1 . 1 32 32 TYR CA C 13 58.266 0.200 . 1 . . . . . 353 TYR CA . 51487 1 308 . 1 . 1 32 32 TYR CB C 13 38.838 0.012 . 1 . . . . . 353 TYR CB . 51487 1 309 . 1 . 1 32 32 TYR N N 15 120.569 0.004 . 1 . . . . . 353 TYR N . 51487 1 310 . 1 . 1 33 33 VAL H H 1 7.897 0.002 . 1 . . . . . 354 VAL H . 51487 1 311 . 1 . 1 33 33 VAL HA H 1 3.987 0.020 . 1 . . . . . 354 VAL HA . 51487 1 312 . 1 . 1 33 33 VAL HB H 1 2.007 0.020 . 1 . . . . . 354 VAL HB . 51487 1 313 . 1 . 1 33 33 VAL HG11 H 1 0.904 0.020 . 2 . . . . . 354 VAL QG1 . 51487 1 314 . 1 . 1 33 33 VAL HG12 H 1 0.904 0.020 . 2 . . . . . 354 VAL QG1 . 51487 1 315 . 1 . 1 33 33 VAL HG13 H 1 0.904 0.020 . 2 . . . . . 354 VAL QG1 . 51487 1 316 . 1 . 1 33 33 VAL HG21 H 1 0.889 0.020 . 2 . . . . . 354 VAL QG2 . 51487 1 317 . 1 . 1 33 33 VAL HG22 H 1 0.889 0.020 . 2 . . . . . 354 VAL QG2 . 51487 1 318 . 1 . 1 33 33 VAL HG23 H 1 0.889 0.020 . 2 . . . . . 354 VAL QG2 . 51487 1 319 . 1 . 1 33 33 VAL C C 13 175.899 0.200 . 1 . . . . . 354 VAL C . 51487 1 320 . 1 . 1 33 33 VAL CA C 13 62.832 0.200 . 1 . . . . . 354 VAL CA . 51487 1 321 . 1 . 1 33 33 VAL CB C 13 32.800 0.200 . 1 . . . . . 354 VAL CB . 51487 1 322 . 1 . 1 33 33 VAL CG1 C 13 21.035 0.200 . 1 . . . . . 354 VAL CG1 . 51487 1 323 . 1 . 1 33 33 VAL CG2 C 13 21.165 0.200 . 1 . . . . . 354 VAL CG2 . 51487 1 324 . 1 . 1 33 33 VAL N N 15 121.796 0.020 . 1 . . . . . 354 VAL N . 51487 1 325 . 1 . 1 34 34 ARG H H 1 8.154 0.001 . 1 . . . . . 355 ARG H . 51487 1 326 . 1 . 1 34 34 ARG HA H 1 4.308 0.020 . 1 . . . . . 355 ARG HA . 51487 1 327 . 1 . 1 34 34 ARG HB2 H 1 1.846 0.020 . 1 . . . . . 355 ARG HB2 . 51487 1 328 . 1 . 1 34 34 ARG HB3 H 1 1.768 0.020 . 1 . . . . . 355 ARG HB3 . 51487 1 329 . 1 . 1 34 34 ARG HG2 H 1 1.652 0.020 . 2 . . . . . 355 ARG QG . 51487 1 330 . 1 . 1 34 34 ARG HG3 H 1 1.652 0.020 . 2 . . . . . 355 ARG QG . 51487 1 331 . 1 . 1 34 34 ARG HD2 H 1 3.208 0.020 . 2 . . . . . 355 ARG QD . 51487 1 332 . 1 . 1 34 34 ARG HD3 H 1 3.208 0.020 . 2 . . . . . 355 ARG QD . 51487 1 333 . 1 . 1 34 34 ARG C C 13 176.358 0.200 . 1 . . . . . 355 ARG C . 51487 1 334 . 1 . 1 34 34 ARG CA C 13 56.407 0.200 . 1 . . . . . 355 ARG CA . 51487 1 335 . 1 . 1 34 34 ARG CB C 13 30.777 0.023 . 1 . . . . . 355 ARG CB . 51487 1 336 . 1 . 1 34 34 ARG CG C 13 27.433 0.200 . 1 . . . . . 355 ARG CG . 51487 1 337 . 1 . 1 34 34 ARG CD C 13 43.606 0.200 . 1 . . . . . 355 ARG CD . 51487 1 338 . 1 . 1 34 34 ARG N N 15 124.106 0.004 . 1 . . . . . 355 ARG N . 51487 1 339 . 1 . 1 35 35 LEU H H 1 8.129 0.003 . 1 . . . . . 356 LEU H . 51487 1 340 . 1 . 1 35 35 LEU HA H 1 4.297 0.020 . 1 . . . . . 356 LEU HA . 51487 1 341 . 1 . 1 35 35 LEU HB2 H 1 1.630 0.020 . 1 . . . . . 356 LEU HB2 . 51487 1 342 . 1 . 1 35 35 LEU HB3 H 1 1.550 0.020 . 1 . . . . . 356 LEU HB3 . 51487 1 343 . 1 . 1 35 35 LEU HD11 H 1 0.904 0.020 . 2 . . . . . 356 LEU QD1 . 51487 1 344 . 1 . 1 35 35 LEU HD12 H 1 0.904 0.020 . 2 . . . . . 356 LEU QD1 . 51487 1 345 . 1 . 1 35 35 LEU HD13 H 1 0.904 0.020 . 2 . . . . . 356 LEU QD1 . 51487 1 346 . 1 . 1 35 35 LEU HD21 H 1 0.850 0.020 . 2 . . . . . 356 LEU QD2 . 51487 1 347 . 1 . 1 35 35 LEU HD22 H 1 0.850 0.020 . 2 . . . . . 356 LEU QD2 . 51487 1 348 . 1 . 1 35 35 LEU HD23 H 1 0.850 0.020 . 2 . . . . . 356 LEU QD2 . 51487 1 349 . 1 . 1 35 35 LEU C C 13 177.148 0.200 . 1 . . . . . 356 LEU C . 51487 1 350 . 1 . 1 35 35 LEU CA C 13 55.559 0.200 . 1 . . . . . 356 LEU CA . 51487 1 351 . 1 . 1 35 35 LEU CB C 13 42.541 0.059 . 1 . . . . . 356 LEU CB . 51487 1 352 . 1 . 1 35 35 LEU CD1 C 13 24.897 0.200 . 1 . . . . . 356 LEU CD1 . 51487 1 353 . 1 . 1 35 35 LEU CD2 C 13 23.630 0.200 . 1 . . . . . 356 LEU CD2 . 51487 1 354 . 1 . 1 35 35 LEU N N 15 123.021 0.010 . 1 . . . . . 356 LEU N . 51487 1 355 . 1 . 1 36 36 ASN H H 1 8.337 0.007 . 1 . . . . . 357 ASN H . 51487 1 356 . 1 . 1 36 36 ASN HA H 1 4.671 0.020 . 1 . . . . . 357 ASN HA . 51487 1 357 . 1 . 1 36 36 ASN HB2 H 1 2.840 0.020 . 1 . . . . . 357 ASN HB2 . 51487 1 358 . 1 . 1 36 36 ASN HB3 H 1 2.763 0.020 . 1 . . . . . 357 ASN HB3 . 51487 1 359 . 1 . 1 36 36 ASN C C 13 175.394 0.200 . 1 . . . . . 357 ASN C . 51487 1 360 . 1 . 1 36 36 ASN CA C 13 53.428 0.200 . 1 . . . . . 357 ASN CA . 51487 1 361 . 1 . 1 36 36 ASN CB C 13 38.901 0.005 . 1 . . . . . 357 ASN CB . 51487 1 362 . 1 . 1 36 36 ASN N N 15 118.991 0.024 . 1 . . . . . 357 ASN N . 51487 1 363 . 1 . 1 37 37 MET H H 1 8.171 0.001 . 1 . . . . . 358 MET H . 51487 1 364 . 1 . 1 37 37 MET HA H 1 4.429 0.020 . 1 . . . . . 358 MET HA . 51487 1 365 . 1 . 1 37 37 MET HB2 H 1 2.096 0.020 . 1 . . . . . 358 MET HB2 . 51487 1 366 . 1 . 1 37 37 MET HB3 H 1 2.006 0.020 . 1 . . . . . 358 MET HB3 . 51487 1 367 . 1 . 1 37 37 MET HG2 H 1 2.603 0.020 . 1 . . . . . 358 MET HG2 . 51487 1 368 . 1 . 1 37 37 MET HG3 H 1 2.513 0.020 . 1 . . . . . 358 MET HG3 . 51487 1 369 . 1 . 1 37 37 MET C C 13 176.438 0.200 . 1 . . . . . 358 MET C . 51487 1 370 . 1 . 1 37 37 MET CA C 13 56.037 0.200 . 1 . . . . . 358 MET CA . 51487 1 371 . 1 . 1 37 37 MET CB C 13 32.976 0.032 . 1 . . . . . 358 MET CB . 51487 1 372 . 1 . 1 37 37 MET CG C 13 32.146 0.032 . 1 . . . . . 358 MET CG . 51487 1 373 . 1 . 1 37 37 MET N N 15 120.467 0.014 . 1 . . . . . 358 MET N . 51487 1 374 . 1 . 1 38 38 LYS H H 1 8.200 0.004 . 1 . . . . . 359 LYS H . 51487 1 375 . 1 . 1 38 38 LYS HA H 1 4.273 0.020 . 1 . . . . . 359 LYS HA . 51487 1 376 . 1 . 1 38 38 LYS HB2 H 1 1.842 0.020 . 1 . . . . . 359 LYS HB2 . 51487 1 377 . 1 . 1 38 38 LYS HB3 H 1 1.781 0.020 . 1 . . . . . 359 LYS HB3 . 51487 1 378 . 1 . 1 38 38 LYS HG2 H 1 1.471 0.020 . 1 . . . . . 359 LYS HG2 . 51487 1 379 . 1 . 1 38 38 LYS HG3 H 1 1.404 0.020 . 1 . . . . . 359 LYS HG3 . 51487 1 380 . 1 . 1 38 38 LYS HD2 H 1 1.686 0.020 . 2 . . . . . 359 LYS QD . 51487 1 381 . 1 . 1 38 38 LYS HD3 H 1 1.686 0.020 . 2 . . . . . 359 LYS QD . 51487 1 382 . 1 . 1 38 38 LYS HE2 H 1 3.002 0.020 . 2 . . . . . 359 LYS QE . 51487 1 383 . 1 . 1 38 38 LYS HE3 H 1 3.002 0.020 . 2 . . . . . 359 LYS QE . 51487 1 384 . 1 . 1 38 38 LYS C C 13 176.749 0.200 . 1 . . . . . 359 LYS C . 51487 1 385 . 1 . 1 38 38 LYS CA C 13 56.783 0.200 . 1 . . . . . 359 LYS CA . 51487 1 386 . 1 . 1 38 38 LYS CB C 13 32.894 0.067 . 1 . . . . . 359 LYS CB . 51487 1 387 . 1 . 1 38 38 LYS CG C 13 25.047 0.071 . 1 . . . . . 359 LYS CG . 51487 1 388 . 1 . 1 38 38 LYS CD C 13 29.144 0.200 . 1 . . . . . 359 LYS CD . 51487 1 389 . 1 . 1 38 38 LYS CE C 13 42.202 0.200 . 1 . . . . . 359 LYS CE . 51487 1 390 . 1 . 1 38 38 LYS N N 15 121.570 0.014 . 1 . . . . . 359 LYS N . 51487 1 391 . 1 . 1 39 39 GLN H H 1 8.157 0.003 . 1 . . . . . 360 GLN H . 51487 1 392 . 1 . 1 39 39 GLN HA H 1 4.282 0.020 . 1 . . . . . 360 GLN HA . 51487 1 393 . 1 . 1 39 39 GLN HG2 H 1 2.341 0.020 . 2 . . . . . 360 GLN QG . 51487 1 394 . 1 . 1 39 39 GLN HG3 H 1 2.341 0.020 . 2 . . . . . 360 GLN QG . 51487 1 395 . 1 . 1 39 39 GLN C C 13 176.022 0.200 . 1 . . . . . 360 GLN C . 51487 1 396 . 1 . 1 39 39 GLN CA C 13 56.079 0.200 . 1 . . . . . 360 GLN CA . 51487 1 397 . 1 . 1 39 39 GLN CB C 13 29.636 0.001 . 1 . . . . . 360 GLN CB . 51487 1 398 . 1 . 1 39 39 GLN CG C 13 33.941 0.200 . 1 . . . . . 360 GLN CG . 51487 1 399 . 1 . 1 39 39 GLN N N 15 120.694 0.013 . 1 . . . . . 360 GLN N . 51487 1 400 . 1 . 1 40 40 LYS H H 1 8.215 0.001 . 1 . . . . . 361 LYS H . 51487 1 401 . 1 . 1 40 40 LYS C C 13 176.309 0.200 . 1 . . . . . 361 LYS C . 51487 1 402 . 1 . 1 40 40 LYS CA C 13 56.674 0.200 . 1 . . . . . 361 LYS CA . 51487 1 403 . 1 . 1 40 40 LYS CB C 13 33.097 0.200 . 1 . . . . . 361 LYS CB . 51487 1 404 . 1 . 1 40 40 LYS N N 15 122.096 0.200 . 1 . . . . . 361 LYS N . 51487 1 405 . 1 . 1 41 41 HIS HB2 H 1 3.090 0.020 . 1 . . . . . 362 HIS HB2 . 51487 1 406 . 1 . 1 41 41 HIS HB3 H 1 3.034 0.020 . 1 . . . . . 362 HIS HB3 . 51487 1 407 . 1 . 1 41 41 HIS C C 13 174.741 0.200 . 1 . . . . . 362 HIS C . 51487 1 408 . 1 . 1 41 41 HIS CA C 13 56.000 0.200 . 1 . . . . . 362 HIS CA . 51487 1 409 . 1 . 1 41 41 HIS CB C 13 30.700 0.031 . 1 . . . . . 362 HIS CB . 51487 1 410 . 1 . 1 42 42 TYR H H 1 8.085 0.001 . 1 . . . . . 363 TYR H . 51487 1 411 . 1 . 1 42 42 TYR HA H 1 4.577 0.020 . 1 . . . . . 363 TYR HA . 51487 1 412 . 1 . 1 42 42 TYR HB2 H 1 2.963 0.020 . 1 . . . . . 363 TYR HB2 . 51487 1 413 . 1 . 1 42 42 TYR HB3 H 1 2.942 0.020 . 1 . . . . . 363 TYR HB3 . 51487 1 414 . 1 . 1 42 42 TYR C C 13 175.466 0.200 . 1 . . . . . 363 TYR C . 51487 1 415 . 1 . 1 42 42 TYR CA C 13 57.892 0.200 . 1 . . . . . 363 TYR CA . 51487 1 416 . 1 . 1 42 42 TYR CB C 13 39.136 0.027 . 1 . . . . . 363 TYR CB . 51487 1 417 . 1 . 1 42 42 TYR N N 15 122.094 0.009 . 1 . . . . . 363 TYR N . 51487 1 418 . 1 . 1 43 43 VAL H H 1 8.020 0.001 . 1 . . . . . 364 VAL H . 51487 1 419 . 1 . 1 43 43 VAL HA H 1 4.027 0.020 . 1 . . . . . 364 VAL HA . 51487 1 420 . 1 . 1 43 43 VAL HB H 1 1.993 0.020 . 1 . . . . . 364 VAL HB . 51487 1 421 . 1 . 1 43 43 VAL HG11 H 1 0.901 0.020 . 2 . . . . . 364 VAL QG1 . 51487 1 422 . 1 . 1 43 43 VAL HG12 H 1 0.901 0.020 . 2 . . . . . 364 VAL QG1 . 51487 1 423 . 1 . 1 43 43 VAL HG13 H 1 0.901 0.020 . 2 . . . . . 364 VAL QG1 . 51487 1 424 . 1 . 1 43 43 VAL HG21 H 1 0.897 0.020 . 2 . . . . . 364 VAL QG2 . 51487 1 425 . 1 . 1 43 43 VAL HG22 H 1 0.897 0.020 . 2 . . . . . 364 VAL QG2 . 51487 1 426 . 1 . 1 43 43 VAL HG23 H 1 0.897 0.020 . 2 . . . . . 364 VAL QG2 . 51487 1 427 . 1 . 1 43 43 VAL C C 13 175.802 0.200 . 1 . . . . . 364 VAL C . 51487 1 428 . 1 . 1 43 43 VAL CA C 13 62.380 0.200 . 1 . . . . . 364 VAL CA . 51487 1 429 . 1 . 1 43 43 VAL CB C 13 33.149 0.200 . 1 . . . . . 364 VAL CB . 51487 1 430 . 1 . 1 43 43 VAL CG1 C 13 20.938 0.200 . 1 . . . . . 364 VAL CG1 . 51487 1 431 . 1 . 1 43 43 VAL CG2 C 13 21.215 0.200 . 1 . . . . . 364 VAL CG2 . 51487 1 432 . 1 . 1 43 43 VAL N N 15 122.830 0.003 . 1 . . . . . 364 VAL N . 51487 1 433 . 1 . 1 44 44 ARG H H 1 8.293 0.001 . 1 . . . . . 365 ARG H . 51487 1 434 . 1 . 1 44 44 ARG HG2 H 1 1.666 0.020 . 2 . . . . . 365 ARG QG . 51487 1 435 . 1 . 1 44 44 ARG HG3 H 1 1.666 0.020 . 2 . . . . . 365 ARG QG . 51487 1 436 . 1 . 1 44 44 ARG HD2 H 1 3.211 0.020 . 2 . . . . . 365 ARG QD . 51487 1 437 . 1 . 1 44 44 ARG HD3 H 1 3.211 0.020 . 2 . . . . . 365 ARG QD . 51487 1 438 . 1 . 1 44 44 ARG C C 13 176.848 0.200 . 1 . . . . . 365 ARG C . 51487 1 439 . 1 . 1 44 44 ARG CA C 13 56.582 0.200 . 1 . . . . . 365 ARG CA . 51487 1 440 . 1 . 1 44 44 ARG CB C 13 30.905 0.200 . 1 . . . . . 365 ARG CB . 51487 1 441 . 1 . 1 44 44 ARG CG C 13 27.395 0.200 . 1 . . . . . 365 ARG CG . 51487 1 442 . 1 . 1 44 44 ARG CD C 13 43.598 0.200 . 1 . . . . . 365 ARG CD . 51487 1 443 . 1 . 1 44 44 ARG N N 15 124.914 0.007 . 1 . . . . . 365 ARG N . 51487 1 444 . 1 . 1 45 45 GLY H H 1 8.355 0.005 . 1 . . . . . 366 GLY H . 51487 1 445 . 1 . 1 45 45 GLY HA2 H 1 3.925 0.020 . 2 . . . . . 366 GLY QA . 51487 1 446 . 1 . 1 45 45 GLY HA3 H 1 3.925 0.020 . 2 . . . . . 366 GLY QA . 51487 1 447 . 1 . 1 45 45 GLY C C 13 174.126 0.200 . 1 . . . . . 366 GLY C . 51487 1 448 . 1 . 1 45 45 GLY CA C 13 45.560 0.200 . 1 . . . . . 366 GLY CA . 51487 1 449 . 1 . 1 45 45 GLY N N 15 109.913 0.015 . 1 . . . . . 366 GLY N . 51487 1 450 . 1 . 1 46 46 ARG H H 1 8.180 0.020 . 1 . . . . . 367 ARG H . 51487 1 451 . 1 . 1 46 46 ARG HA H 1 4.288 0.020 . 1 . . . . . 367 ARG HA . 51487 1 452 . 1 . 1 46 46 ARG HB2 H 1 1.841 0.020 . 1 . . . . . 367 ARG HB2 . 51487 1 453 . 1 . 1 46 46 ARG HB3 H 1 1.745 0.020 . 1 . . . . . 367 ARG HB3 . 51487 1 454 . 1 . 1 46 46 ARG HG2 H 1 1.638 0.020 . 2 . . . . . 367 ARG QG . 51487 1 455 . 1 . 1 46 46 ARG HG3 H 1 1.638 0.020 . 2 . . . . . 367 ARG QG . 51487 1 456 . 1 . 1 46 46 ARG HD2 H 1 3.181 0.020 . 2 . . . . . 367 ARG QD . 51487 1 457 . 1 . 1 46 46 ARG HD3 H 1 3.181 0.020 . 2 . . . . . 367 ARG QD . 51487 1 458 . 1 . 1 46 46 ARG C C 13 176.343 0.200 . 1 . . . . . 367 ARG C . 51487 1 459 . 1 . 1 46 46 ARG CA C 13 56.466 0.200 . 1 . . . . . 367 ARG CA . 51487 1 460 . 1 . 1 46 46 ARG CB C 13 31.060 0.076 . 1 . . . . . 367 ARG CB . 51487 1 461 . 1 . 1 46 46 ARG CG C 13 27.137 0.200 . 1 . . . . . 367 ARG CG . 51487 1 462 . 1 . 1 46 46 ARG CD C 13 43.585 0.200 . 1 . . . . . 367 ARG CD . 51487 1 463 . 1 . 1 46 46 ARG N N 15 120.235 0.200 . 1 . . . . . 367 ARG N . 51487 1 464 . 1 . 1 47 47 ALA H H 1 8.273 0.006 . 1 . . . . . 368 ALA H . 51487 1 465 . 1 . 1 47 47 ALA HA H 1 4.299 0.020 . 1 . . . . . 368 ALA HA . 51487 1 466 . 1 . 1 47 47 ALA HB1 H 1 1.384 0.020 . 1 . . . . . 368 ALA HB# . 51487 1 467 . 1 . 1 47 47 ALA HB2 H 1 1.384 0.020 . 1 . . . . . 368 ALA HB# . 51487 1 468 . 1 . 1 47 47 ALA HB3 H 1 1.384 0.020 . 1 . . . . . 368 ALA HB# . 51487 1 469 . 1 . 1 47 47 ALA C C 13 177.916 0.200 . 1 . . . . . 368 ALA C . 51487 1 470 . 1 . 1 47 47 ALA CA C 13 52.793 0.200 . 1 . . . . . 368 ALA CA . 51487 1 471 . 1 . 1 47 47 ALA CB C 13 19.144 0.200 . 1 . . . . . 368 ALA CB . 51487 1 472 . 1 . 1 47 47 ALA N N 15 124.811 0.014 . 1 . . . . . 368 ALA N . 51487 1 473 . 1 . 1 48 48 LEU H H 1 8.090 0.001 . 1 . . . . . 369 LEU H . 51487 1 474 . 1 . 1 48 48 LEU HA H 1 4.296 0.020 . 1 . . . . . 369 LEU HA . 51487 1 475 . 1 . 1 48 48 LEU HB2 H 1 1.618 0.020 . 2 . . . . . 369 LEU QB . 51487 1 476 . 1 . 1 48 48 LEU HB3 H 1 1.618 0.020 . 2 . . . . . 369 LEU QB . 51487 1 477 . 1 . 1 48 48 LEU HG H 1 1.622 0.020 . 1 . . . . . 369 LEU HG . 51487 1 478 . 1 . 1 48 48 LEU HD11 H 1 0.920 0.020 . 2 . . . . . 369 LEU QD1 . 51487 1 479 . 1 . 1 48 48 LEU HD12 H 1 0.920 0.020 . 2 . . . . . 369 LEU QD1 . 51487 1 480 . 1 . 1 48 48 LEU HD13 H 1 0.920 0.020 . 2 . . . . . 369 LEU QD1 . 51487 1 481 . 1 . 1 48 48 LEU HD21 H 1 0.875 0.020 . 2 . . . . . 369 LEU QD2 . 51487 1 482 . 1 . 1 48 48 LEU HD22 H 1 0.875 0.020 . 2 . . . . . 369 LEU QD2 . 51487 1 483 . 1 . 1 48 48 LEU HD23 H 1 0.875 0.020 . 2 . . . . . 369 LEU QD2 . 51487 1 484 . 1 . 1 48 48 LEU C C 13 177.738 0.200 . 1 . . . . . 369 LEU C . 51487 1 485 . 1 . 1 48 48 LEU CA C 13 55.676 0.200 . 1 . . . . . 369 LEU CA . 51487 1 486 . 1 . 1 48 48 LEU CB C 13 42.300 0.200 . 1 . . . . . 369 LEU CB . 51487 1 487 . 1 . 1 48 48 LEU CG C 13 27.122 0.200 . 1 . . . . . 369 LEU CG . 51487 1 488 . 1 . 1 48 48 LEU CD1 C 13 24.952 0.200 . 1 . . . . . 369 LEU CD1 . 51487 1 489 . 1 . 1 48 48 LEU CD2 C 13 23.908 0.200 . 1 . . . . . 369 LEU CD2 . 51487 1 490 . 1 . 1 48 48 LEU N N 15 121.569 0.002 . 1 . . . . . 369 LEU N . 51487 1 491 . 1 . 1 49 49 ARG H H 1 8.214 0.006 . 1 . . . . . 370 ARG H . 51487 1 492 . 1 . 1 49 49 ARG HA H 1 4.305 0.020 . 1 . . . . . 370 ARG HA . 51487 1 493 . 1 . 1 49 49 ARG HB2 H 1 1.883 0.020 . 2 . . . . . 370 ARG QB . 51487 1 494 . 1 . 1 49 49 ARG HB3 H 1 1.883 0.020 . 2 . . . . . 370 ARG QB . 51487 1 495 . 1 . 1 49 49 ARG HG2 H 1 1.634 0.020 . 2 . . . . . 370 ARG QG . 51487 1 496 . 1 . 1 49 49 ARG HG3 H 1 1.634 0.020 . 2 . . . . . 370 ARG QG . 51487 1 497 . 1 . 1 49 49 ARG HD2 H 1 3.203 0.020 . 2 . . . . . 370 ARG QD . 51487 1 498 . 1 . 1 49 49 ARG HD3 H 1 3.203 0.020 . 2 . . . . . 370 ARG QD . 51487 1 499 . 1 . 1 49 49 ARG C C 13 176.715 0.200 . 1 . . . . . 370 ARG C . 51487 1 500 . 1 . 1 49 49 ARG CA C 13 56.744 0.200 . 1 . . . . . 370 ARG CA . 51487 1 501 . 1 . 1 49 49 ARG CB C 13 30.495 0.200 . 1 . . . . . 370 ARG CB . 51487 1 502 . 1 . 1 49 49 ARG CG C 13 27.388 0.200 . 1 . . . . . 370 ARG CG . 51487 1 503 . 1 . 1 49 49 ARG CD C 13 43.543 0.200 . 1 . . . . . 370 ARG CD . 51487 1 504 . 1 . 1 49 49 ARG N N 15 121.166 0.048 . 1 . . . . . 370 ARG N . 51487 1 505 . 1 . 1 50 50 SER H H 1 8.155 0.022 . 1 . . . . . 371 SER H . 51487 1 506 . 1 . 1 50 50 SER HA H 1 4.387 0.020 . 1 . . . . . 371 SER HA . 51487 1 507 . 1 . 1 50 50 SER C C 13 175.014 0.200 . 1 . . . . . 371 SER C . 51487 1 508 . 1 . 1 50 50 SER CA C 13 58.985 0.200 . 1 . . . . . 371 SER CA . 51487 1 509 . 1 . 1 50 50 SER CB C 13 63.768 0.200 . 1 . . . . . 371 SER CB . 51487 1 510 . 1 . 1 50 50 SER N N 15 116.096 0.041 . 1 . . . . . 371 SER N . 51487 1 511 . 1 . 1 51 51 ARG H H 1 8.249 0.020 . 1 . . . . . 372 ARG H . 51487 1 512 . 1 . 1 51 51 ARG HA H 1 4.293 0.020 . 1 . . . . . 372 ARG HA . 51487 1 513 . 1 . 1 51 51 ARG HB2 H 1 1.878 0.020 . 1 . . . . . 372 ARG HB2 . 51487 1 514 . 1 . 1 51 51 ARG HB3 H 1 1.811 0.020 . 1 . . . . . 372 ARG HB3 . 51487 1 515 . 1 . 1 51 51 ARG HG2 H 1 1.663 0.020 . 1 . . . . . 372 ARG HG2 . 51487 1 516 . 1 . 1 51 51 ARG HG3 H 1 1.631 0.020 . 1 . . . . . 372 ARG HG3 . 51487 1 517 . 1 . 1 51 51 ARG HD2 H 1 3.199 0.020 . 2 . . . . . 372 ARG QD . 51487 1 518 . 1 . 1 51 51 ARG HD3 H 1 3.199 0.020 . 2 . . . . . 372 ARG QD . 51487 1 519 . 1 . 1 51 51 ARG C C 13 176.516 0.200 . 1 . . . . . 372 ARG C . 51487 1 520 . 1 . 1 51 51 ARG CA C 13 56.958 0.200 . 1 . . . . . 372 ARG CA . 51487 1 521 . 1 . 1 51 51 ARG CB C 13 30.850 0.004 . 1 . . . . . 372 ARG CB . 51487 1 522 . 1 . 1 51 51 ARG CG C 13 27.381 0.003 . 1 . . . . . 372 ARG CG . 51487 1 523 . 1 . 1 51 51 ARG CD C 13 43.631 0.200 . 1 . . . . . 372 ARG CD . 51487 1 524 . 1 . 1 51 51 ARG N N 15 122.814 0.200 . 1 . . . . . 372 ARG N . 51487 1 525 . 1 . 1 52 52 LEU H H 1 8.059 0.002 . 1 . . . . . 373 LEU H . 51487 1 526 . 1 . 1 52 52 LEU HA H 1 4.301 0.020 . 1 . . . . . 373 LEU HA . 51487 1 527 . 1 . 1 52 52 LEU HB2 H 1 1.647 0.020 . 1 . . . . . 373 LEU HB2 . 51487 1 528 . 1 . 1 52 52 LEU HB3 H 1 1.578 0.020 . 1 . . . . . 373 LEU HB3 . 51487 1 529 . 1 . 1 52 52 LEU HG H 1 1.610 0.020 . 1 . . . . . 373 LEU HG . 51487 1 530 . 1 . 1 52 52 LEU HD11 H 1 0.860 0.020 . 2 . . . . . 373 LEU QD1 . 51487 1 531 . 1 . 1 52 52 LEU HD12 H 1 0.860 0.020 . 2 . . . . . 373 LEU QD1 . 51487 1 532 . 1 . 1 52 52 LEU HD13 H 1 0.860 0.020 . 2 . . . . . 373 LEU QD1 . 51487 1 533 . 1 . 1 52 52 LEU HD21 H 1 0.919 0.020 . 2 . . . . . 373 LEU QD2 . 51487 1 534 . 1 . 1 52 52 LEU HD22 H 1 0.919 0.020 . 2 . . . . . 373 LEU QD2 . 51487 1 535 . 1 . 1 52 52 LEU HD23 H 1 0.919 0.020 . 2 . . . . . 373 LEU QD2 . 51487 1 536 . 1 . 1 52 52 LEU C C 13 177.399 0.200 . 1 . . . . . 373 LEU C . 51487 1 537 . 1 . 1 52 52 LEU CA C 13 55.663 0.200 . 1 . . . . . 373 LEU CA . 51487 1 538 . 1 . 1 52 52 LEU CB C 13 42.349 0.033 . 1 . . . . . 373 LEU CB . 51487 1 539 . 1 . 1 52 52 LEU CG C 13 27.106 0.200 . 1 . . . . . 373 LEU CG . 51487 1 540 . 1 . 1 52 52 LEU CD1 C 13 23.718 0.200 . 1 . . . . . 373 LEU CD1 . 51487 1 541 . 1 . 1 52 52 LEU CD2 C 13 24.926 0.200 . 1 . . . . . 373 LEU CD2 . 51487 1 542 . 1 . 1 52 52 LEU N N 15 122.113 0.020 . 1 . . . . . 373 LEU N . 51487 1 543 . 1 . 1 53 53 LEU H H 1 8.027 0.002 . 1 . . . . . 374 LEU H . 51487 1 544 . 1 . 1 53 53 LEU HA H 1 4.331 0.020 . 1 . . . . . 374 LEU HA . 51487 1 545 . 1 . 1 53 53 LEU HB2 H 1 1.674 0.020 . 2 . . . . . 374 LEU QB . 51487 1 546 . 1 . 1 53 53 LEU HB3 H 1 1.674 0.020 . 2 . . . . . 374 LEU QB . 51487 1 547 . 1 . 1 53 53 LEU HG H 1 1.617 0.020 . 1 . . . . . 374 LEU HG . 51487 1 548 . 1 . 1 53 53 LEU HD11 H 1 0.924 0.020 . 2 . . . . . 374 LEU QD1 . 51487 1 549 . 1 . 1 53 53 LEU HD12 H 1 0.924 0.020 . 2 . . . . . 374 LEU QD1 . 51487 1 550 . 1 . 1 53 53 LEU HD13 H 1 0.924 0.020 . 2 . . . . . 374 LEU QD1 . 51487 1 551 . 1 . 1 53 53 LEU HD21 H 1 0.862 0.020 . 2 . . . . . 374 LEU QD2 . 51487 1 552 . 1 . 1 53 53 LEU HD22 H 1 0.862 0.020 . 2 . . . . . 374 LEU QD2 . 51487 1 553 . 1 . 1 53 53 LEU HD23 H 1 0.862 0.020 . 2 . . . . . 374 LEU QD2 . 51487 1 554 . 1 . 1 53 53 LEU C C 13 177.473 0.200 . 1 . . . . . 374 LEU C . 51487 1 555 . 1 . 1 53 53 LEU CA C 13 55.456 0.200 . 1 . . . . . 374 LEU CA . 51487 1 556 . 1 . 1 53 53 LEU CB C 13 42.237 0.200 . 1 . . . . . 374 LEU CB . 51487 1 557 . 1 . 1 53 53 LEU CG C 13 27.168 0.200 . 1 . . . . . 374 LEU CG . 51487 1 558 . 1 . 1 53 53 LEU CD1 C 13 25.032 0.200 . 1 . . . . . 374 LEU CD1 . 51487 1 559 . 1 . 1 53 53 LEU CD2 C 13 23.615 0.200 . 1 . . . . . 374 LEU CD2 . 51487 1 560 . 1 . 1 53 53 LEU N N 15 122.635 0.025 . 1 . . . . . 374 LEU N . 51487 1 561 . 1 . 1 54 54 ARG H H 1 8.103 0.005 . 1 . . . . . 375 ARG H . 51487 1 562 . 1 . 1 54 54 ARG HA H 1 4.295 0.020 . 1 . . . . . 375 ARG HA . 51487 1 563 . 1 . 1 54 54 ARG HB2 H 1 1.781 0.020 . 2 . . . . . 375 ARG QB . 51487 1 564 . 1 . 1 54 54 ARG HB3 H 1 1.781 0.020 . 2 . . . . . 375 ARG QB . 51487 1 565 . 1 . 1 54 54 ARG HG2 H 1 1.635 0.020 . 1 . . . . . 375 ARG HG2 . 51487 1 566 . 1 . 1 54 54 ARG HG3 H 1 1.589 0.020 . 1 . . . . . 375 ARG HG3 . 51487 1 567 . 1 . 1 54 54 ARG HD2 H 1 3.170 0.020 . 2 . . . . . 375 ARG QD . 51487 1 568 . 1 . 1 54 54 ARG HD3 H 1 3.170 0.020 . 2 . . . . . 375 ARG QD . 51487 1 569 . 1 . 1 54 54 ARG C C 13 176.500 0.200 . 1 . . . . . 375 ARG C . 51487 1 570 . 1 . 1 54 54 ARG CA C 13 56.495 0.200 . 1 . . . . . 375 ARG CA . 51487 1 571 . 1 . 1 54 54 ARG CB C 13 30.888 0.200 . 1 . . . . . 375 ARG CB . 51487 1 572 . 1 . 1 54 54 ARG CG C 13 27.363 0.013 . 1 . . . . . 375 ARG CG . 51487 1 573 . 1 . 1 54 54 ARG CD C 13 43.577 0.200 . 1 . . . . . 375 ARG CD . 51487 1 574 . 1 . 1 54 54 ARG N N 15 121.528 0.037 . 1 . . . . . 375 ARG N . 51487 1 575 . 1 . 1 55 55 LYS H H 1 8.175 0.003 . 1 . . . . . 376 LYS H . 51487 1 576 . 1 . 1 55 55 LYS HA H 1 4.229 0.020 . 1 . . . . . 376 LYS HA . 51487 1 577 . 1 . 1 55 55 LYS HB2 H 1 1.757 0.020 . 2 . . . . . 376 LYS QB . 51487 1 578 . 1 . 1 55 55 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 376 LYS QB . 51487 1 579 . 1 . 1 55 55 LYS HG2 H 1 1.369 0.020 . 2 . . . . . 376 LYS QG . 51487 1 580 . 1 . 1 55 55 LYS HG3 H 1 1.369 0.020 . 2 . . . . . 376 LYS QG . 51487 1 581 . 1 . 1 55 55 LYS HD2 H 1 1.661 0.020 . 2 . . . . . 376 LYS QD . 51487 1 582 . 1 . 1 55 55 LYS HD3 H 1 1.661 0.020 . 2 . . . . . 376 LYS QD . 51487 1 583 . 1 . 1 55 55 LYS HE2 H 1 2.976 0.020 . 2 . . . . . 376 LYS QE . 51487 1 584 . 1 . 1 55 55 LYS HE3 H 1 2.976 0.020 . 2 . . . . . 376 LYS QE . 51487 1 585 . 1 . 1 55 55 LYS C C 13 176.786 0.200 . 1 . . . . . 376 LYS C . 51487 1 586 . 1 . 1 55 55 LYS CA C 13 56.940 0.200 . 1 . . . . . 376 LYS CA . 51487 1 587 . 1 . 1 55 55 LYS CB C 13 33.121 0.200 . 1 . . . . . 376 LYS CB . 51487 1 588 . 1 . 1 55 55 LYS CG C 13 24.976 0.200 . 1 . . . . . 376 LYS CG . 51487 1 589 . 1 . 1 55 55 LYS CD C 13 29.145 0.200 . 1 . . . . . 376 LYS CD . 51487 1 590 . 1 . 1 55 55 LYS CE C 13 42.112 0.200 . 1 . . . . . 376 LYS CE . 51487 1 591 . 1 . 1 55 55 LYS N N 15 121.994 0.026 . 1 . . . . . 376 LYS N . 51487 1 592 . 1 . 1 56 56 GLN H H 1 8.253 0.004 . 1 . . . . . 377 GLN H . 51487 1 593 . 1 . 1 56 56 GLN HA H 1 4.217 0.020 . 1 . . . . . 377 GLN HA . 51487 1 594 . 1 . 1 56 56 GLN HB2 H 1 1.900 0.020 . 2 . . . . . 377 GLN QB . 51487 1 595 . 1 . 1 56 56 GLN HB3 H 1 1.900 0.020 . 2 . . . . . 377 GLN QB . 51487 1 596 . 1 . 1 56 56 GLN HG2 H 1 2.307 0.020 . 2 . . . . . 377 GLN QG . 51487 1 597 . 1 . 1 56 56 GLN HG3 H 1 2.307 0.020 . 2 . . . . . 377 GLN QG . 51487 1 598 . 1 . 1 56 56 GLN C C 13 175.994 0.200 . 1 . . . . . 377 GLN C . 51487 1 599 . 1 . 1 56 56 GLN CA C 13 56.176 0.200 . 1 . . . . . 377 GLN CA . 51487 1 600 . 1 . 1 56 56 GLN CB C 13 29.477 0.200 . 1 . . . . . 377 GLN CB . 51487 1 601 . 1 . 1 56 56 GLN CG C 13 33.924 0.200 . 1 . . . . . 377 GLN CG . 51487 1 602 . 1 . 1 56 56 GLN N N 15 120.857 0.023 . 1 . . . . . 377 GLN N . 51487 1 603 . 1 . 1 57 57 ALA H H 1 8.190 0.006 . 1 . . . . . 378 ALA H . 51487 1 604 . 1 . 1 57 57 ALA HA H 1 4.257 0.020 . 1 . . . . . 378 ALA HA . 51487 1 605 . 1 . 1 57 57 ALA HB1 H 1 1.361 0.020 . 1 . . . . . 378 ALA HB# . 51487 1 606 . 1 . 1 57 57 ALA HB2 H 1 1.361 0.020 . 1 . . . . . 378 ALA HB# . 51487 1 607 . 1 . 1 57 57 ALA HB3 H 1 1.361 0.020 . 1 . . . . . 378 ALA HB# . 51487 1 608 . 1 . 1 57 57 ALA C C 13 177.744 0.200 . 1 . . . . . 378 ALA C . 51487 1 609 . 1 . 1 57 57 ALA CA C 13 53.034 0.200 . 1 . . . . . 378 ALA CA . 51487 1 610 . 1 . 1 57 57 ALA CB C 13 19.176 0.200 . 1 . . . . . 378 ALA CB . 51487 1 611 . 1 . 1 57 57 ALA N N 15 124.773 0.015 . 1 . . . . . 378 ALA N . 51487 1 612 . 1 . 1 58 58 TRP H H 1 7.946 0.001 . 1 . . . . . 379 TRP H . 51487 1 613 . 1 . 1 58 58 TRP HA H 1 4.595 0.020 . 1 . . . . . 379 TRP HA . 51487 1 614 . 1 . 1 58 58 TRP HB2 H 1 3.285 0.020 . 2 . . . . . 379 TRP QB . 51487 1 615 . 1 . 1 58 58 TRP HB3 H 1 3.285 0.020 . 2 . . . . . 379 TRP QB . 51487 1 616 . 1 . 1 58 58 TRP HE1 H 1 10.104 0.020 . 1 . . . . . 379 TRP HE1 . 51487 1 617 . 1 . 1 58 58 TRP C C 13 176.394 0.200 . 1 . . . . . 379 TRP C . 51487 1 618 . 1 . 1 58 58 TRP CA C 13 57.658 0.200 . 1 . . . . . 379 TRP CA . 51487 1 619 . 1 . 1 58 58 TRP CB C 13 29.529 0.200 . 1 . . . . . 379 TRP CB . 51487 1 620 . 1 . 1 58 58 TRP N N 15 119.810 0.006 . 1 . . . . . 379 TRP N . 51487 1 621 . 1 . 1 58 58 TRP NE1 N 15 129.477 0.200 . 1 . . . . . 379 TRP NE1 . 51487 1 622 . 1 . 1 59 59 LYS H H 1 7.800 0.001 . 1 . . . . . 380 LYS H . 51487 1 623 . 1 . 1 59 59 LYS HA H 1 4.099 0.020 . 1 . . . . . 380 LYS HA . 51487 1 624 . 1 . 1 59 59 LYS HB2 H 1 1.689 0.020 . 2 . . . . . 380 LYS QB . 51487 1 625 . 1 . 1 59 59 LYS HB3 H 1 1.689 0.020 . 2 . . . . . 380 LYS QB . 51487 1 626 . 1 . 1 59 59 LYS HG2 H 1 1.164 0.020 . 2 . . . . . 380 LYS QG . 51487 1 627 . 1 . 1 59 59 LYS HG3 H 1 1.164 0.020 . 2 . . . . . 380 LYS QG . 51487 1 628 . 1 . 1 59 59 LYS HD2 H 1 1.576 0.020 . 2 . . . . . 380 LYS QD . 51487 1 629 . 1 . 1 59 59 LYS HD3 H 1 1.576 0.020 . 2 . . . . . 380 LYS QD . 51487 1 630 . 1 . 1 59 59 LYS HE2 H 1 2.907 0.020 . 2 . . . . . 380 LYS QE . 51487 1 631 . 1 . 1 59 59 LYS HE3 H 1 2.907 0.020 . 2 . . . . . 380 LYS QE . 51487 1 632 . 1 . 1 59 59 LYS C C 13 176.416 0.200 . 1 . . . . . 380 LYS C . 51487 1 633 . 1 . 1 59 59 LYS CA C 13 56.739 0.200 . 1 . . . . . 380 LYS CA . 51487 1 634 . 1 . 1 59 59 LYS CB C 13 33.025 0.200 . 1 . . . . . 380 LYS CB . 51487 1 635 . 1 . 1 59 59 LYS CG C 13 24.718 0.200 . 1 . . . . . 380 LYS CG . 51487 1 636 . 1 . 1 59 59 LYS CD C 13 29.148 0.200 . 1 . . . . . 380 LYS CD . 51487 1 637 . 1 . 1 59 59 LYS CE C 13 42.141 0.200 . 1 . . . . . 380 LYS CE . 51487 1 638 . 1 . 1 59 59 LYS N N 15 122.063 0.200 . 1 . . . . . 380 LYS N . 51487 1 639 . 1 . 1 60 60 GLN H H 1 7.954 0.010 . 1 . . . . . 381 GLN H . 51487 1 640 . 1 . 1 60 60 GLN HA H 1 4.129 0.020 . 1 . . . . . 381 GLN HA . 51487 1 641 . 1 . 1 60 60 GLN HG2 H 1 2.248 0.020 . 2 . . . . . 381 GLN QG . 51487 1 642 . 1 . 1 60 60 GLN HG3 H 1 2.248 0.020 . 2 . . . . . 381 GLN QG . 51487 1 643 . 1 . 1 60 60 GLN C C 13 176.112 0.200 . 1 . . . . . 381 GLN C . 51487 1 644 . 1 . 1 60 60 GLN CA C 13 56.256 0.200 . 1 . . . . . 381 GLN CA . 51487 1 645 . 1 . 1 60 60 GLN CB C 13 29.257 0.200 . 1 . . . . . 381 GLN CB . 51487 1 646 . 1 . 1 60 60 GLN CG C 13 33.860 0.200 . 1 . . . . . 381 GLN CG . 51487 1 647 . 1 . 1 60 60 GLN N N 15 120.195 0.035 . 1 . . . . . 381 GLN N . 51487 1 648 . 1 . 1 61 61 LYS H H 1 8.066 0.002 . 1 . . . . . 382 LYS H . 51487 1 649 . 1 . 1 61 61 LYS HA H 1 4.173 0.020 . 1 . . . . . 382 LYS HA . 51487 1 650 . 1 . 1 61 61 LYS HB2 H 1 1.650 0.020 . 2 . . . . . 382 LYS QB . 51487 1 651 . 1 . 1 61 61 LYS HB3 H 1 1.650 0.020 . 2 . . . . . 382 LYS QB . 51487 1 652 . 1 . 1 61 61 LYS HG2 H 1 1.274 0.020 . 1 . . . . . 382 LYS HG2 . 51487 1 653 . 1 . 1 61 61 LYS HG3 H 1 1.201 0.020 . 1 . . . . . 382 LYS HG3 . 51487 1 654 . 1 . 1 61 61 LYS HD2 H 1 1.571 0.020 . 2 . . . . . 382 LYS QD . 51487 1 655 . 1 . 1 61 61 LYS HD3 H 1 1.571 0.020 . 2 . . . . . 382 LYS QD . 51487 1 656 . 1 . 1 61 61 LYS HE2 H 1 2.880 0.020 . 2 . . . . . 382 LYS QE . 51487 1 657 . 1 . 1 61 61 LYS HE3 H 1 2.880 0.020 . 2 . . . . . 382 LYS QE . 51487 1 658 . 1 . 1 61 61 LYS C C 13 176.317 0.200 . 1 . . . . . 382 LYS C . 51487 1 659 . 1 . 1 61 61 LYS CA C 13 56.915 0.200 . 1 . . . . . 382 LYS CA . 51487 1 660 . 1 . 1 61 61 LYS CB C 13 33.038 0.200 . 1 . . . . . 382 LYS CB . 51487 1 661 . 1 . 1 61 61 LYS CG C 13 24.778 0.016 . 1 . . . . . 382 LYS CG . 51487 1 662 . 1 . 1 61 61 LYS CD C 13 29.164 0.200 . 1 . . . . . 382 LYS CD . 51487 1 663 . 1 . 1 61 61 LYS CE C 13 42.090 0.200 . 1 . . . . . 382 LYS CE . 51487 1 664 . 1 . 1 61 61 LYS N N 15 121.734 0.001 . 1 . . . . . 382 LYS N . 51487 1 665 . 1 . 1 62 62 TRP H H 1 7.903 0.004 . 1 . . . . . 383 TRP H . 51487 1 666 . 1 . 1 62 62 TRP HA H 1 4.675 0.020 . 1 . . . . . 383 TRP HA . 51487 1 667 . 1 . 1 62 62 TRP HB2 H 1 3.269 0.020 . 1 . . . . . 383 TRP HB2 . 51487 1 668 . 1 . 1 62 62 TRP HB3 H 1 3.173 0.020 . 1 . . . . . 383 TRP HB3 . 51487 1 669 . 1 . 1 62 62 TRP HE1 H 1 10.040 0.020 . 1 . . . . . 383 TRP HE1 . 51487 1 670 . 1 . 1 62 62 TRP C C 13 176.056 0.200 . 1 . . . . . 383 TRP C . 51487 1 671 . 1 . 1 62 62 TRP CA C 13 57.088 0.200 . 1 . . . . . 383 TRP CA . 51487 1 672 . 1 . 1 62 62 TRP CB C 13 29.758 0.001 . 1 . . . . . 383 TRP CB . 51487 1 673 . 1 . 1 62 62 TRP N N 15 120.932 0.023 . 1 . . . . . 383 TRP N . 51487 1 674 . 1 . 1 62 62 TRP NE1 N 15 129.268 0.200 . 1 . . . . . 383 TRP NE1 . 51487 1 675 . 1 . 1 63 63 ARG H H 1 7.944 0.003 . 1 . . . . . 384 ARG H . 51487 1 676 . 1 . 1 63 63 ARG HA H 1 4.243 0.020 . 1 . . . . . 384 ARG HA . 51487 1 677 . 1 . 1 63 63 ARG HB2 H 1 1.740 0.020 . 1 . . . . . 384 ARG HB2 . 51487 1 678 . 1 . 1 63 63 ARG HB3 H 1 1.626 0.020 . 1 . . . . . 384 ARG HB3 . 51487 1 679 . 1 . 1 63 63 ARG HG2 H 1 1.455 0.020 . 2 . . . . . 384 ARG QG . 51487 1 680 . 1 . 1 63 63 ARG HG3 H 1 1.455 0.020 . 2 . . . . . 384 ARG QG . 51487 1 681 . 1 . 1 63 63 ARG HD2 H 1 3.088 0.020 . 2 . . . . . 384 ARG QD . 51487 1 682 . 1 . 1 63 63 ARG HD3 H 1 3.088 0.020 . 2 . . . . . 384 ARG QD . 51487 1 683 . 1 . 1 63 63 ARG C C 13 175.885 0.200 . 1 . . . . . 384 ARG C . 51487 1 684 . 1 . 1 63 63 ARG CA C 13 56.132 0.200 . 1 . . . . . 384 ARG CA . 51487 1 685 . 1 . 1 63 63 ARG CB C 13 31.047 0.195 . 1 . . . . . 384 ARG CB . 51487 1 686 . 1 . 1 63 63 ARG CG C 13 27.172 0.200 . 1 . . . . . 384 ARG CG . 51487 1 687 . 1 . 1 63 63 ARG CD C 13 43.562 0.200 . 1 . . . . . 384 ARG CD . 51487 1 688 . 1 . 1 63 63 ARG N N 15 122.370 0.011 . 1 . . . . . 384 ARG N . 51487 1 689 . 1 . 1 64 64 LYS H H 1 8.127 0.006 . 1 . . . . . 385 LYS H . 51487 1 690 . 1 . 1 64 64 LYS HA H 1 4.203 0.020 . 1 . . . . . 385 LYS HA . 51487 1 691 . 1 . 1 64 64 LYS HB2 H 1 1.797 0.020 . 2 . . . . . 385 LYS QB . 51487 1 692 . 1 . 1 64 64 LYS HB3 H 1 1.797 0.020 . 2 . . . . . 385 LYS QB . 51487 1 693 . 1 . 1 64 64 LYS HG2 H 1 1.387 0.020 . 2 . . . . . 385 LYS QG . 51487 1 694 . 1 . 1 64 64 LYS HG3 H 1 1.387 0.020 . 2 . . . . . 385 LYS QG . 51487 1 695 . 1 . 1 64 64 LYS HD2 H 1 1.656 0.020 . 2 . . . . . 385 LYS QD . 51487 1 696 . 1 . 1 64 64 LYS HD3 H 1 1.656 0.020 . 2 . . . . . 385 LYS QD . 51487 1 697 . 1 . 1 64 64 LYS HE2 H 1 2.962 0.020 . 2 . . . . . 385 LYS QE . 51487 1 698 . 1 . 1 64 64 LYS HE3 H 1 2.962 0.020 . 2 . . . . . 385 LYS QE . 51487 1 699 . 1 . 1 64 64 LYS C C 13 176.496 0.200 . 1 . . . . . 385 LYS C . 51487 1 700 . 1 . 1 64 64 LYS CA C 13 56.521 0.200 . 1 . . . . . 385 LYS CA . 51487 1 701 . 1 . 1 64 64 LYS CB C 13 33.354 0.200 . 1 . . . . . 385 LYS CB . 51487 1 702 . 1 . 1 64 64 LYS CG C 13 25.034 0.200 . 1 . . . . . 385 LYS CG . 51487 1 703 . 1 . 1 64 64 LYS CD C 13 29.197 0.200 . 1 . . . . . 385 LYS CD . 51487 1 704 . 1 . 1 64 64 LYS CE C 13 42.147 0.200 . 1 . . . . . 385 LYS CE . 51487 1 705 . 1 . 1 64 64 LYS N N 15 122.354 0.028 . 1 . . . . . 385 LYS N . 51487 1 706 . 1 . 1 65 65 LYS H H 1 8.253 0.004 . 1 . . . . . 386 LYS H . 51487 1 707 . 1 . 1 65 65 LYS HA H 1 4.233 0.020 . 1 . . . . . 386 LYS HA . 51487 1 708 . 1 . 1 65 65 LYS HB2 H 1 1.819 0.020 . 1 . . . . . 386 LYS HB2 . 51487 1 709 . 1 . 1 65 65 LYS HB3 H 1 1.753 0.020 . 1 . . . . . 386 LYS HB3 . 51487 1 710 . 1 . 1 65 65 LYS HD2 H 1 1.647 0.020 . 2 . . . . . 386 LYS QD . 51487 1 711 . 1 . 1 65 65 LYS HD3 H 1 1.647 0.020 . 2 . . . . . 386 LYS QD . 51487 1 712 . 1 . 1 65 65 LYS HE2 H 1 2.957 0.020 . 2 . . . . . 386 LYS QE . 51487 1 713 . 1 . 1 65 65 LYS HE3 H 1 2.957 0.020 . 2 . . . . . 386 LYS QE . 51487 1 714 . 1 . 1 65 65 LYS C C 13 177.047 0.200 . 1 . . . . . 386 LYS C . 51487 1 715 . 1 . 1 65 65 LYS CA C 13 56.990 0.200 . 1 . . . . . 386 LYS CA . 51487 1 716 . 1 . 1 65 65 LYS CB C 13 33.156 0.118 . 1 . . . . . 386 LYS CB . 51487 1 717 . 1 . 1 65 65 LYS CD C 13 29.099 0.200 . 1 . . . . . 386 LYS CD . 51487 1 718 . 1 . 1 65 65 LYS CE C 13 42.059 0.200 . 1 . . . . . 386 LYS CE . 51487 1 719 . 1 . 1 65 65 LYS N N 15 122.615 0.020 . 1 . . . . . 386 LYS N . 51487 1 720 . 1 . 1 66 66 GLY H H 1 8.349 0.004 . 1 . . . . . 387 GLY H . 51487 1 721 . 1 . 1 66 66 GLY HA2 H 1 3.980 0.020 . 2 . . . . . 387 GLY QA . 51487 1 722 . 1 . 1 66 66 GLY HA3 H 1 3.980 0.020 . 2 . . . . . 387 GLY QA . 51487 1 723 . 1 . 1 66 66 GLY C C 13 174.187 0.200 . 1 . . . . . 387 GLY C . 51487 1 724 . 1 . 1 66 66 GLY CA C 13 45.397 0.200 . 1 . . . . . 387 GLY CA . 51487 1 725 . 1 . 1 66 66 GLY N N 15 110.301 0.008 . 1 . . . . . 387 GLY N . 51487 1 726 . 1 . 1 67 67 GLU H H 1 8.136 0.020 . 1 . . . . . 388 GLU H . 51487 1 727 . 1 . 1 67 67 GLU C C 13 176.421 0.200 . 1 . . . . . 388 GLU C . 51487 1 728 . 1 . 1 67 67 GLU CA C 13 56.668 0.200 . 1 . . . . . 388 GLU CA . 51487 1 729 . 1 . 1 67 67 GLU CB C 13 30.726 0.200 . 1 . . . . . 388 GLU CB . 51487 1 730 . 1 . 1 67 67 GLU N N 15 120.510 0.200 . 1 . . . . . 388 GLU N . 51487 1 731 . 1 . 1 69 69 PHE H H 1 8.270 0.020 . 1 . . . . . 390 PHE H . 51487 1 732 . 1 . 1 69 69 PHE HA H 1 4.643 0.020 . 1 . . . . . 390 PHE HA . 51487 1 733 . 1 . 1 69 69 PHE HB2 H 1 3.143 0.020 . 1 . . . . . 390 PHE HB2 . 51487 1 734 . 1 . 1 69 69 PHE HB3 H 1 3.005 0.020 . 1 . . . . . 390 PHE HB3 . 51487 1 735 . 1 . 1 69 69 PHE C C 13 176.115 0.200 . 1 . . . . . 390 PHE C . 51487 1 736 . 1 . 1 69 69 PHE CA C 13 57.993 0.200 . 1 . . . . . 390 PHE CA . 51487 1 737 . 1 . 1 69 69 PHE CB C 13 39.706 0.021 . 1 . . . . . 390 PHE CB . 51487 1 738 . 1 . 1 69 69 PHE N N 15 121.764 0.200 . 1 . . . . . 390 PHE N . 51487 1 739 . 1 . 1 70 70 GLY H H 1 8.291 0.010 . 1 . . . . . 391 GLY H . 51487 1 740 . 1 . 1 70 70 GLY C C 13 174.599 0.200 . 1 . . . . . 391 GLY C . 51487 1 741 . 1 . 1 70 70 GLY CA C 13 45.501 0.200 . 1 . . . . . 391 GLY CA . 51487 1 742 . 1 . 1 70 70 GLY N N 15 110.800 0.009 . 1 . . . . . 391 GLY N . 51487 1 743 . 1 . 1 73 73 GLY HA2 H 1 3.946 0.020 . 2 . . . . . 394 GLY QA . 51487 1 744 . 1 . 1 73 73 GLY HA3 H 1 3.946 0.020 . 2 . . . . . 394 GLY QA . 51487 1 745 . 1 . 1 73 73 GLY C C 13 173.943 0.200 . 1 . . . . . 394 GLY C . 51487 1 746 . 1 . 1 73 73 GLY CA C 13 45.289 0.200 . 1 . . . . . 394 GLY CA . 51487 1 747 . 1 . 1 74 74 ALA H H 1 8.114 0.020 . 1 . . . . . 395 ALA H . 51487 1 748 . 1 . 1 74 74 ALA HA H 1 4.379 0.020 . 1 . . . . . 395 ALA HA . 51487 1 749 . 1 . 1 74 74 ALA HB1 H 1 1.377 0.020 . 1 . . . . . 395 ALA HB# . 51487 1 750 . 1 . 1 74 74 ALA HB2 H 1 1.377 0.020 . 1 . . . . . 395 ALA HB# . 51487 1 751 . 1 . 1 74 74 ALA HB3 H 1 1.377 0.020 . 1 . . . . . 395 ALA HB# . 51487 1 752 . 1 . 1 74 74 ALA C C 13 177.961 0.200 . 1 . . . . . 395 ALA C . 51487 1 753 . 1 . 1 74 74 ALA CA C 13 52.567 0.200 . 1 . . . . . 395 ALA CA . 51487 1 754 . 1 . 1 74 74 ALA CB C 13 19.569 0.200 . 1 . . . . . 395 ALA CB . 51487 1 755 . 1 . 1 74 74 ALA N N 15 123.582 0.200 . 1 . . . . . 395 ALA N . 51487 1 756 . 1 . 1 75 75 THR H H 1 8.110 0.020 . 1 . . . . . 396 THR H . 51487 1 757 . 1 . 1 75 75 THR HA H 1 4.355 0.020 . 1 . . . . . 396 THR HA . 51487 1 758 . 1 . 1 75 75 THR HB H 1 4.180 0.020 . 1 . . . . . 396 THR HB . 51487 1 759 . 1 . 1 75 75 THR HG21 H 1 1.186 0.020 . 1 . . . . . 396 THR QG2 . 51487 1 760 . 1 . 1 75 75 THR HG22 H 1 1.186 0.020 . 1 . . . . . 396 THR QG2 . 51487 1 761 . 1 . 1 75 75 THR HG23 H 1 1.186 0.020 . 1 . . . . . 396 THR QG2 . 51487 1 762 . 1 . 1 75 75 THR C C 13 174.569 0.200 . 1 . . . . . 396 THR C . 51487 1 763 . 1 . 1 75 75 THR CA C 13 62.032 0.200 . 1 . . . . . 396 THR CA . 51487 1 764 . 1 . 1 75 75 THR CB C 13 70.070 0.200 . 1 . . . . . 396 THR CB . 51487 1 765 . 1 . 1 75 75 THR CG2 C 13 21.745 0.200 . 1 . . . . . 396 THR CG2 . 51487 1 766 . 1 . 1 75 75 THR N N 15 113.891 0.003 . 1 . . . . . 396 THR N . 51487 1 767 . 1 . 1 76 76 VAL H H 1 8.111 0.020 . 1 . . . . . 397 VAL H . 51487 1 768 . 1 . 1 76 76 VAL HA H 1 4.241 0.020 . 1 . . . . . 397 VAL HA . 51487 1 769 . 1 . 1 76 76 VAL HB H 1 2.091 0.020 . 1 . . . . . 397 VAL HB . 51487 1 770 . 1 . 1 76 76 VAL HG11 H 1 0.930 0.020 . 2 . . . . . 397 VAL QG1 . 51487 1 771 . 1 . 1 76 76 VAL HG12 H 1 0.930 0.020 . 2 . . . . . 397 VAL QG1 . 51487 1 772 . 1 . 1 76 76 VAL HG13 H 1 0.930 0.020 . 2 . . . . . 397 VAL QG1 . 51487 1 773 . 1 . 1 76 76 VAL HG21 H 1 0.931 0.020 . 2 . . . . . 397 VAL QG2 . 51487 1 774 . 1 . 1 76 76 VAL HG22 H 1 0.931 0.020 . 2 . . . . . 397 VAL QG2 . 51487 1 775 . 1 . 1 76 76 VAL HG23 H 1 0.931 0.020 . 2 . . . . . 397 VAL QG2 . 51487 1 776 . 1 . 1 76 76 VAL C C 13 176.219 0.200 . 1 . . . . . 397 VAL C . 51487 1 777 . 1 . 1 76 76 VAL CA C 13 62.258 0.200 . 1 . . . . . 397 VAL CA . 51487 1 778 . 1 . 1 76 76 VAL CB C 13 33.011 0.200 . 1 . . . . . 397 VAL CB . 51487 1 779 . 1 . 1 76 76 VAL CG1 C 13 20.561 0.200 . 1 . . . . . 397 VAL CG1 . 51487 1 780 . 1 . 1 76 76 VAL CG2 C 13 21.322 0.200 . 1 . . . . . 397 VAL CG2 . 51487 1 781 . 1 . 1 76 76 VAL N N 15 122.539 0.003 . 1 . . . . . 397 VAL N . 51487 1 782 . 1 . 1 77 77 THR H H 1 8.244 0.002 . 1 . . . . . 398 THR H . 51487 1 783 . 1 . 1 77 77 THR HA H 1 4.463 0.020 . 1 . . . . . 398 THR HA . 51487 1 784 . 1 . 1 77 77 THR HB H 1 4.234 0.020 . 1 . . . . . 398 THR HB . 51487 1 785 . 1 . 1 77 77 THR HG21 H 1 1.202 0.020 . 1 . . . . . 398 THR QG2 . 51487 1 786 . 1 . 1 77 77 THR HG22 H 1 1.202 0.020 . 1 . . . . . 398 THR QG2 . 51487 1 787 . 1 . 1 77 77 THR HG23 H 1 1.202 0.020 . 1 . . . . . 398 THR QG2 . 51487 1 788 . 1 . 1 77 77 THR C C 13 174.616 0.200 . 1 . . . . . 398 THR C . 51487 1 789 . 1 . 1 77 77 THR CA C 13 61.777 0.200 . 1 . . . . . 398 THR CA . 51487 1 790 . 1 . 1 77 77 THR CB C 13 70.155 0.200 . 1 . . . . . 398 THR CB . 51487 1 791 . 1 . 1 77 77 THR CG2 C 13 21.655 0.200 . 1 . . . . . 398 THR CG2 . 51487 1 792 . 1 . 1 77 77 THR N N 15 118.085 0.005 . 1 . . . . . 398 THR N . 51487 1 793 . 1 . 1 78 78 THR H H 1 8.106 0.002 . 1 . . . . . 399 THR H . 51487 1 794 . 1 . 1 78 78 THR HA H 1 4.375 0.020 . 1 . . . . . 399 THR HA . 51487 1 795 . 1 . 1 78 78 THR HB H 1 4.245 0.020 . 1 . . . . . 399 THR HB . 51487 1 796 . 1 . 1 78 78 THR HG21 H 1 1.197 0.020 . 1 . . . . . 399 THR QG2 . 51487 1 797 . 1 . 1 78 78 THR HG22 H 1 1.197 0.020 . 1 . . . . . 399 THR QG2 . 51487 1 798 . 1 . 1 78 78 THR HG23 H 1 1.197 0.020 . 1 . . . . . 399 THR QG2 . 51487 1 799 . 1 . 1 78 78 THR C C 13 173.565 0.200 . 1 . . . . . 399 THR C . 51487 1 800 . 1 . 1 78 78 THR CA C 13 61.839 0.200 . 1 . . . . . 399 THR CA . 51487 1 801 . 1 . 1 78 78 THR CB C 13 70.162 0.200 . 1 . . . . . 399 THR CB . 51487 1 802 . 1 . 1 78 78 THR CG2 C 13 21.624 0.200 . 1 . . . . . 399 THR CG2 . 51487 1 803 . 1 . 1 78 78 THR N N 15 116.986 0.007 . 1 . . . . . 399 THR N . 51487 1 804 . 1 . 1 79 79 LYS H H 1 7.911 0.001 . 1 . . . . . 400 LYS H . 51487 1 805 . 1 . 1 79 79 LYS C C 13 172.079 0.200 . 1 . . . . . 400 LYS C . 51487 1 806 . 1 . 1 79 79 LYS CA C 13 57.939 0.200 . 1 . . . . . 400 LYS CA . 51487 1 807 . 1 . 1 79 79 LYS CB C 13 33.875 0.200 . 1 . . . . . 400 LYS CB . 51487 1 808 . 1 . 1 79 79 LYS N N 15 128.591 0.008 . 1 . . . . . 400 LYS N . 51487 1 stop_ save_