data_30296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30296 _Entry.Title ; Solution NMR structure of the HMG domain of human FACT complex subunit SSRP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-21 _Entry.Accession_date 2017-05-21 _Entry.Last_release_date 2017-05-23 _Entry.Original_release_date 2017-05-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Q. Hu Q. . . . 30296 2 M. Botuyan M. V. . . 30296 3 G. Mer G. . . . 30296 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA damage response' . 30296 'DNA replication' . 30296 'Hitone chaperone' . 30296 'NMR spectroscopy' . 30296 SSRP1 . 30296 Transcription . 30296 'human FACT complex' . 30296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 30296 '15N chemical shifts' 68 30296 '1H chemical shifts' 453 30296 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 . . 2018-05-17 . original BMRB . 30296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VWE 'BMRB Entry Tracking System' 30296 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30296 _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 ; Solution NMR structure of the HMG domain of human FACT complex subunit SSRP1 ; _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 Q. Hu Q. . . . 30296 1 2 M. Botuyan M. V. . . 30296 1 3 G. Mer G. . . . 30296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30296 _Assembly.ID 1 _Assembly.Name 'FACT complex subunit SSRP1' _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 . . . . . . 30296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30296 _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 ; GHMSAYMLWLNASREKIKSD HPGISITDLSKKAGEIWKGM SKEKKEEWDRKAEDARRDYE KAMKEYEGG ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'unp residues 551-617' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8050.128 _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 'Chromatin-specific transcription elongation factor 80 kDa subunit' na 30296 1 FACTp80 na 30296 1 'Facilitates chromatin transcription complex 80 kDa subunit' na 30296 1 'Facilitates chromatin transcription complex subunit SSRP1' na 30296 1 'Recombination signal sequence recognition protein 1' na 30296 1 'Structure-specific recognition protein 1' na 30296 1 T160 na 30296 1 hSSRP1 na 30296 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 1 549 GLY . 30296 1 2 550 HIS . 30296 1 3 551 MET . 30296 1 4 552 SER . 30296 1 5 553 ALA . 30296 1 6 554 TYR . 30296 1 7 555 MET . 30296 1 8 556 LEU . 30296 1 9 557 TRP . 30296 1 10 558 LEU . 30296 1 11 559 ASN . 30296 1 12 560 ALA . 30296 1 13 561 SER . 30296 1 14 562 ARG . 30296 1 15 563 GLU . 30296 1 16 564 LYS . 30296 1 17 565 ILE . 30296 1 18 566 LYS . 30296 1 19 567 SER . 30296 1 20 568 ASP . 30296 1 21 569 HIS . 30296 1 22 570 PRO . 30296 1 23 571 GLY . 30296 1 24 572 ILE . 30296 1 25 573 SER . 30296 1 26 574 ILE . 30296 1 27 575 THR . 30296 1 28 576 ASP . 30296 1 29 577 LEU . 30296 1 30 578 SER . 30296 1 31 579 LYS . 30296 1 32 580 LYS . 30296 1 33 581 ALA . 30296 1 34 582 GLY . 30296 1 35 583 GLU . 30296 1 36 584 ILE . 30296 1 37 585 TRP . 30296 1 38 586 LYS . 30296 1 39 587 GLY . 30296 1 40 588 MET . 30296 1 41 589 SER . 30296 1 42 590 LYS . 30296 1 43 591 GLU . 30296 1 44 592 LYS . 30296 1 45 593 LYS . 30296 1 46 594 GLU . 30296 1 47 595 GLU . 30296 1 48 596 TRP . 30296 1 49 597 ASP . 30296 1 50 598 ARG . 30296 1 51 599 LYS . 30296 1 52 600 ALA . 30296 1 53 601 GLU . 30296 1 54 602 ASP . 30296 1 55 603 ALA . 30296 1 56 604 ARG . 30296 1 57 605 ARG . 30296 1 58 606 ASP . 30296 1 59 607 TYR . 30296 1 60 608 GLU . 30296 1 61 609 LYS . 30296 1 62 610 ALA . 30296 1 63 611 MET . 30296 1 64 612 LYS . 30296 1 65 613 GLU . 30296 1 66 614 TYR . 30296 1 67 615 GLU . 30296 1 68 616 GLY . 30296 1 69 617 GLY . 30296 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 30296 1 . HIS 2 2 30296 1 . MET 3 3 30296 1 . SER 4 4 30296 1 . ALA 5 5 30296 1 . TYR 6 6 30296 1 . MET 7 7 30296 1 . LEU 8 8 30296 1 . TRP 9 9 30296 1 . LEU 10 10 30296 1 . ASN 11 11 30296 1 . ALA 12 12 30296 1 . SER 13 13 30296 1 . ARG 14 14 30296 1 . GLU 15 15 30296 1 . LYS 16 16 30296 1 . ILE 17 17 30296 1 . LYS 18 18 30296 1 . SER 19 19 30296 1 . ASP 20 20 30296 1 . HIS 21 21 30296 1 . PRO 22 22 30296 1 . GLY 23 23 30296 1 . ILE 24 24 30296 1 . SER 25 25 30296 1 . ILE 26 26 30296 1 . THR 27 27 30296 1 . ASP 28 28 30296 1 . LEU 29 29 30296 1 . SER 30 30 30296 1 . LYS 31 31 30296 1 . LYS 32 32 30296 1 . ALA 33 33 30296 1 . GLY 34 34 30296 1 . GLU 35 35 30296 1 . ILE 36 36 30296 1 . TRP 37 37 30296 1 . LYS 38 38 30296 1 . GLY 39 39 30296 1 . MET 40 40 30296 1 . SER 41 41 30296 1 . LYS 42 42 30296 1 . GLU 43 43 30296 1 . LYS 44 44 30296 1 . LYS 45 45 30296 1 . GLU 46 46 30296 1 . GLU 47 47 30296 1 . TRP 48 48 30296 1 . ASP 49 49 30296 1 . ARG 50 50 30296 1 . LYS 51 51 30296 1 . ALA 52 52 30296 1 . GLU 53 53 30296 1 . ASP 54 54 30296 1 . ALA 55 55 30296 1 . ARG 56 56 30296 1 . ARG 57 57 30296 1 . ASP 58 58 30296 1 . TYR 59 59 30296 1 . GLU 60 60 30296 1 . LYS 61 61 30296 1 . ALA 62 62 30296 1 . MET 63 63 30296 1 . LYS 64 64 30296 1 . GLU 65 65 30296 1 . TYR 66 66 30296 1 . GLU 67 67 30296 1 . GLY 68 68 30296 1 . GLY 69 69 30296 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 30296 _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 . . . . . . . . . . . 'SSRP1, FACT80' . 30296 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 30296 _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 . . . Plasmid . . pTEV . . . 30296 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30296 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM [U-100% 13C; U-100% 15N] Human SSRP1 HMG Domain, 50 mM Sodium phosphate buffer, 50 mM NaCl, 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 'Human SSRP1 HMG Domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30296 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30296 1 3 'Sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 30296 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 30296 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30296 1 pH 6.9 . pH 30296 1 pressure 1 . atm 30296 1 temperature 298 . K 30296 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30296 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30296 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30296 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30296 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30296 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30296 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30296 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30296 3 'data analysis' 30296 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30296 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30296 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30296 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30296 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30296 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30296 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30296 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30296 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30296 6 'structure calculation' 30296 6 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 30296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30296 _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 . 700 . . . 30296 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 30296 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 7 '3D CCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 9 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30296 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 30296 _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 . . . . . 30296 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30296 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30296 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 30296 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30296 1 2 '2D 1H-13C HSQC' . . . 30296 1 3 '3D HNCACB' . . . 30296 1 4 '3D CBCA(CO)NH' . . . 30296 1 5 '3D HBHA(CO)NH' . . . 30296 1 6 '3D H(CCO)NH' . . . 30296 1 7 '3D CCCH-TOCSY' . . . 30296 1 8 '3D HNCO' . . . 30296 1 9 '3D HCACO' . . . 30296 1 10 '3D 1H-15N NOESY' . . . 30296 1 11 '3D 1H-13C NOESY' . . . 30296 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.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 4 4 SER C C 13 171.247 0.30 . 1 . . . . A 552 SER C . 30296 1 2 . 1 1 5 5 ALA H H 1 8.900 0.03 . 1 . . . . A 553 ALA H . 30296 1 3 . 1 1 5 5 ALA HA H 1 4.007 0.03 . 1 . . . . A 553 ALA HA . 30296 1 4 . 1 1 5 5 ALA HB1 H 1 1.713 0.03 . 1 . . . . A 553 ALA HB1 . 30296 1 5 . 1 1 5 5 ALA HB2 H 1 1.713 0.03 . 1 . . . . A 553 ALA HB2 . 30296 1 6 . 1 1 5 5 ALA HB3 H 1 1.713 0.03 . 1 . . . . A 553 ALA HB3 . 30296 1 7 . 1 1 5 5 ALA C C 13 175.111 0.30 . 1 . . . . A 553 ALA C . 30296 1 8 . 1 1 5 5 ALA CA C 13 56.301 0.30 . 1 . . . . A 553 ALA CA . 30296 1 9 . 1 1 5 5 ALA CB C 13 19.045 0.30 . 1 . . . . A 553 ALA CB . 30296 1 10 . 1 1 5 5 ALA N N 15 124.126 0.30 . 1 . . . . A 553 ALA N . 30296 1 11 . 1 1 6 6 TYR H H 1 7.974 0.03 . 1 . . . . A 554 TYR H . 30296 1 12 . 1 1 6 6 TYR HA H 1 2.420 0.03 . 1 . . . . A 554 TYR HA . 30296 1 13 . 1 1 6 6 TYR HB2 H 1 1.985 0.03 . 2 . . . . A 554 TYR HB2 . 30296 1 14 . 1 1 6 6 TYR HD1 H 1 5.836 0.03 . 3 . . . . A 554 TYR HD1 . 30296 1 15 . 1 1 6 6 TYR HD2 H 1 5.836 0.03 . 3 . . . . A 554 TYR HD2 . 30296 1 16 . 1 1 6 6 TYR HE1 H 1 6.455 0.03 . 3 . . . . A 554 TYR HE1 . 30296 1 17 . 1 1 6 6 TYR HE2 H 1 6.455 0.03 . 3 . . . . A 554 TYR HE2 . 30296 1 18 . 1 1 6 6 TYR C C 13 173.397 0.30 . 1 . . . . A 554 TYR C . 30296 1 19 . 1 1 6 6 TYR CA C 13 60.052 0.30 . 1 . . . . A 554 TYR CA . 30296 1 20 . 1 1 6 6 TYR CB C 13 38.123 0.30 . 1 . . . . A 554 TYR CB . 30296 1 21 . 1 1 6 6 TYR N N 15 115.718 0.30 . 1 . . . . A 554 TYR N . 30296 1 22 . 1 1 7 7 MET H H 1 7.452 0.03 . 1 . . . . A 555 MET H . 30296 1 23 . 1 1 7 7 MET HA H 1 3.643 0.03 . 1 . . . . A 555 MET HA . 30296 1 24 . 1 1 7 7 MET HB2 H 1 2.387 0.03 . 2 . . . . A 555 MET HB2 . 30296 1 25 . 1 1 7 7 MET HB3 H 1 2.565 0.03 . 2 . . . . A 555 MET HB3 . 30296 1 26 . 1 1 7 7 MET HG2 H 1 1.960 0.03 . 2 . . . . A 555 MET HG2 . 30296 1 27 . 1 1 7 7 MET HG3 H 1 1.960 0.03 . 2 . . . . A 555 MET HG3 . 30296 1 28 . 1 1 7 7 MET HE1 H 1 1.922 0.03 . 1 . . . . A 555 MET HE1 . 30296 1 29 . 1 1 7 7 MET HE2 H 1 1.922 0.03 . 1 . . . . A 555 MET HE2 . 30296 1 30 . 1 1 7 7 MET HE3 H 1 1.922 0.03 . 1 . . . . A 555 MET HE3 . 30296 1 31 . 1 1 7 7 MET C C 13 176.217 0.30 . 1 . . . . A 555 MET C . 30296 1 32 . 1 1 7 7 MET CA C 13 57.370 0.30 . 1 . . . . A 555 MET CA . 30296 1 33 . 1 1 7 7 MET CB C 13 32.711 0.30 . 1 . . . . A 555 MET CB . 30296 1 34 . 1 1 7 7 MET CG C 13 32.067 0.30 . 1 . . . . A 555 MET CG . 30296 1 35 . 1 1 7 7 MET CE C 13 16.591 0.30 . 1 . . . . A 555 MET CE . 30296 1 36 . 1 1 7 7 MET N N 15 116.280 0.30 . 1 . . . . A 555 MET N . 30296 1 37 . 1 1 8 8 LEU H H 1 8.157 0.03 . 1 . . . . A 556 LEU H . 30296 1 38 . 1 1 8 8 LEU HA H 1 3.903 0.03 . 1 . . . . A 556 LEU HA . 30296 1 39 . 1 1 8 8 LEU HB2 H 1 1.769 0.03 . 2 . . . . A 556 LEU HB2 . 30296 1 40 . 1 1 8 8 LEU HB3 H 1 2.072 0.03 . 2 . . . . A 556 LEU HB3 . 30296 1 41 . 1 1 8 8 LEU HG H 1 1.792 0.03 . 1 . . . . A 556 LEU HG . 30296 1 42 . 1 1 8 8 LEU HD11 H 1 0.888 0.03 . 2 . . . . A 556 LEU HD11 . 30296 1 43 . 1 1 8 8 LEU HD12 H 1 0.888 0.03 . 2 . . . . A 556 LEU HD12 . 30296 1 44 . 1 1 8 8 LEU HD13 H 1 0.888 0.03 . 2 . . . . A 556 LEU HD13 . 30296 1 45 . 1 1 8 8 LEU HD21 H 1 0.907 0.03 . 2 . . . . A 556 LEU HD21 . 30296 1 46 . 1 1 8 8 LEU HD22 H 1 0.907 0.03 . 2 . . . . A 556 LEU HD22 . 30296 1 47 . 1 1 8 8 LEU HD23 H 1 0.907 0.03 . 2 . . . . A 556 LEU HD23 . 30296 1 48 . 1 1 8 8 LEU C C 13 176.458 0.30 . 1 . . . . A 556 LEU C . 30296 1 49 . 1 1 8 8 LEU CA C 13 58.140 0.30 . 1 . . . . A 556 LEU CA . 30296 1 50 . 1 1 8 8 LEU CB C 13 41.997 0.30 . 1 . . . . A 556 LEU CB . 30296 1 51 . 1 1 8 8 LEU CG C 13 27.050 0.30 . 1 . . . . A 556 LEU CG . 30296 1 52 . 1 1 8 8 LEU CD1 C 13 25.442 0.30 . 2 . . . . A 556 LEU CD1 . 30296 1 53 . 1 1 8 8 LEU CD2 C 13 23.955 0.30 . 2 . . . . A 556 LEU CD2 . 30296 1 54 . 1 1 8 8 LEU N N 15 120.825 0.30 . 1 . . . . A 556 LEU N . 30296 1 55 . 1 1 9 9 TRP H H 1 8.082 0.03 . 1 . . . . A 557 TRP H . 30296 1 56 . 1 1 9 9 TRP HA H 1 2.043 0.03 . 1 . . . . A 557 TRP HA . 30296 1 57 . 1 1 9 9 TRP HB2 H 1 1.616 0.03 . 2 . . . . A 557 TRP HB2 . 30296 1 58 . 1 1 9 9 TRP HB3 H 1 2.532 0.03 . 2 . . . . A 557 TRP HB3 . 30296 1 59 . 1 1 9 9 TRP HD1 H 1 6.233 0.03 . 1 . . . . A 557 TRP HD1 . 30296 1 60 . 1 1 9 9 TRP HE1 H 1 9.690 0.03 . 1 . . . . A 557 TRP HE1 . 30296 1 61 . 1 1 9 9 TRP HE3 H 1 6.781 0.03 . 1 . . . . A 557 TRP HE3 . 30296 1 62 . 1 1 9 9 TRP HZ2 H 1 7.282 0.03 . 1 . . . . A 557 TRP HZ2 . 30296 1 63 . 1 1 9 9 TRP HZ3 H 1 6.814 0.03 . 1 . . . . A 557 TRP HZ3 . 30296 1 64 . 1 1 9 9 TRP HH2 H 1 7.151 0.03 . 1 . . . . A 557 TRP HH2 . 30296 1 65 . 1 1 9 9 TRP C C 13 175.957 0.30 . 1 . . . . A 557 TRP C . 30296 1 66 . 1 1 9 9 TRP CA C 13 60.992 0.30 . 1 . . . . A 557 TRP CA . 30296 1 67 . 1 1 9 9 TRP CB C 13 27.289 0.30 . 1 . . . . A 557 TRP CB . 30296 1 68 . 1 1 9 9 TRP N N 15 123.560 0.30 . 1 . . . . A 557 TRP N . 30296 1 69 . 1 1 9 9 TRP NE1 N 15 129.541 0.30 . 1 . . . . A 557 TRP NE1 . 30296 1 70 . 1 1 10 10 LEU H H 1 8.788 0.03 . 1 . . . . A 558 LEU H . 30296 1 71 . 1 1 10 10 LEU HA H 1 2.541 0.03 . 1 . . . . A 558 LEU HA . 30296 1 72 . 1 1 10 10 LEU HB2 H 1 0.598 0.03 . 2 . . . . A 558 LEU HB2 . 30296 1 73 . 1 1 10 10 LEU HB3 H 1 1.235 0.03 . 2 . . . . A 558 LEU HB3 . 30296 1 74 . 1 1 10 10 LEU HG H 1 0.991 0.03 . 1 . . . . A 558 LEU HG . 30296 1 75 . 1 1 10 10 LEU HD11 H 1 0.579 0.03 . 2 . . . . A 558 LEU HD11 . 30296 1 76 . 1 1 10 10 LEU HD12 H 1 0.579 0.03 . 2 . . . . A 558 LEU HD12 . 30296 1 77 . 1 1 10 10 LEU HD13 H 1 0.579 0.03 . 2 . . . . A 558 LEU HD13 . 30296 1 78 . 1 1 10 10 LEU HD21 H 1 0.330 0.03 . 2 . . . . A 558 LEU HD21 . 30296 1 79 . 1 1 10 10 LEU HD22 H 1 0.330 0.03 . 2 . . . . A 558 LEU HD22 . 30296 1 80 . 1 1 10 10 LEU HD23 H 1 0.330 0.03 . 2 . . . . A 558 LEU HD23 . 30296 1 81 . 1 1 10 10 LEU C C 13 175.995 0.30 . 1 . . . . A 558 LEU C . 30296 1 82 . 1 1 10 10 LEU CA C 13 57.412 0.30 . 1 . . . . A 558 LEU CA . 30296 1 83 . 1 1 10 10 LEU CB C 13 40.555 0.30 . 1 . . . . A 558 LEU CB . 30296 1 84 . 1 1 10 10 LEU CG C 13 26.645 0.30 . 1 . . . . A 558 LEU CG . 30296 1 85 . 1 1 10 10 LEU CD1 C 13 25.521 0.30 . 2 . . . . A 558 LEU CD1 . 30296 1 86 . 1 1 10 10 LEU CD2 C 13 22.633 0.30 . 2 . . . . A 558 LEU CD2 . 30296 1 87 . 1 1 10 10 LEU N N 15 123.901 0.30 . 1 . . . . A 558 LEU N . 30296 1 88 . 1 1 11 11 ASN H H 1 7.896 0.03 . 1 . . . . A 559 ASN H . 30296 1 89 . 1 1 11 11 ASN HA H 1 4.095 0.03 . 1 . . . . A 559 ASN HA . 30296 1 90 . 1 1 11 11 ASN HB2 H 1 2.603 0.03 . 2 . . . . A 559 ASN HB2 . 30296 1 91 . 1 1 11 11 ASN HB3 H 1 2.663 0.03 . 2 . . . . A 559 ASN HB3 . 30296 1 92 . 1 1 11 11 ASN HD21 H 1 7.521 0.03 . 2 . . . . A 559 ASN HD21 . 30296 1 93 . 1 1 11 11 ASN HD22 H 1 6.830 0.03 . 2 . . . . A 559 ASN HD22 . 30296 1 94 . 1 1 11 11 ASN C C 13 175.089 0.30 . 1 . . . . A 559 ASN C . 30296 1 95 . 1 1 11 11 ASN CA C 13 55.729 0.30 . 1 . . . . A 559 ASN CA . 30296 1 96 . 1 1 11 11 ASN CB C 13 37.750 0.30 . 1 . . . . A 559 ASN CB . 30296 1 97 . 1 1 11 11 ASN N N 15 116.354 0.30 . 1 . . . . A 559 ASN N . 30296 1 98 . 1 1 11 11 ASN ND2 N 15 111.880 0.30 . 1 . . . . A 559 ASN ND2 . 30296 1 99 . 1 1 12 12 ALA H H 1 7.228 0.03 . 1 . . . . A 560 ALA H . 30296 1 100 . 1 1 12 12 ALA HA H 1 4.168 0.03 . 1 . . . . A 560 ALA HA . 30296 1 101 . 1 1 12 12 ALA HB1 H 1 1.436 0.03 . 1 . . . . A 560 ALA HB1 . 30296 1 102 . 1 1 12 12 ALA HB2 H 1 1.436 0.03 . 1 . . . . A 560 ALA HB2 . 30296 1 103 . 1 1 12 12 ALA HB3 H 1 1.436 0.03 . 1 . . . . A 560 ALA HB3 . 30296 1 104 . 1 1 12 12 ALA C C 13 176.858 0.30 . 1 . . . . A 560 ALA C . 30296 1 105 . 1 1 12 12 ALA CA C 13 53.764 0.30 . 1 . . . . A 560 ALA CA . 30296 1 106 . 1 1 12 12 ALA CB C 13 19.680 0.30 . 1 . . . . A 560 ALA CB . 30296 1 107 . 1 1 12 12 ALA N N 15 119.881 0.30 . 1 . . . . A 560 ALA N . 30296 1 108 . 1 1 13 13 SER H H 1 7.389 0.03 . 1 . . . . A 561 SER H . 30296 1 109 . 1 1 13 13 SER HA H 1 4.265 0.03 . 1 . . . . A 561 SER HA . 30296 1 110 . 1 1 13 13 SER HB2 H 1 2.241 0.03 . 2 . . . . A 561 SER HB2 . 30296 1 111 . 1 1 13 13 SER HB3 H 1 3.234 0.03 . 2 . . . . A 561 SER HB3 . 30296 1 112 . 1 1 13 13 SER C C 13 171.531 0.30 . 1 . . . . A 561 SER C . 30296 1 113 . 1 1 13 13 SER CA C 13 59.251 0.30 . 1 . . . . A 561 SER CA . 30296 1 114 . 1 1 13 13 SER CB C 13 63.492 0.30 . 1 . . . . A 561 SER CB . 30296 1 115 . 1 1 13 13 SER N N 15 112.561 0.30 . 1 . . . . A 561 SER N . 30296 1 116 . 1 1 14 14 ARG H H 1 7.923 0.03 . 1 . . . . A 562 ARG H . 30296 1 117 . 1 1 14 14 ARG HA H 1 3.358 0.03 . 1 . . . . A 562 ARG HA . 30296 1 118 . 1 1 14 14 ARG HB2 H 1 1.564 0.03 . 2 . . . . A 562 ARG HB2 . 30296 1 119 . 1 1 14 14 ARG HB3 H 1 1.782 0.03 . 2 . . . . A 562 ARG HB3 . 30296 1 120 . 1 1 14 14 ARG HG2 H 1 1.332 0.03 . 2 . . . . A 562 ARG HG2 . 30296 1 121 . 1 1 14 14 ARG HG3 H 1 1.332 0.03 . 2 . . . . A 562 ARG HG3 . 30296 1 122 . 1 1 14 14 ARG HD2 H 1 3.034 0.03 . 2 . . . . A 562 ARG HD2 . 30296 1 123 . 1 1 14 14 ARG HD3 H 1 3.034 0.03 . 2 . . . . A 562 ARG HD3 . 30296 1 124 . 1 1 14 14 ARG C C 13 174.278 0.30 . 1 . . . . A 562 ARG C . 30296 1 125 . 1 1 14 14 ARG CA C 13 60.671 0.30 . 1 . . . . A 562 ARG CA . 30296 1 126 . 1 1 14 14 ARG CB C 13 29.969 0.30 . 1 . . . . A 562 ARG CB . 30296 1 127 . 1 1 14 14 ARG CG C 13 27.555 0.30 . 1 . . . . A 562 ARG CG . 30296 1 128 . 1 1 14 14 ARG CD C 13 43.199 0.30 . 1 . . . . A 562 ARG CD . 30296 1 129 . 1 1 14 14 ARG N N 15 122.112 0.30 . 1 . . . . A 562 ARG N . 30296 1 130 . 1 1 15 15 GLU H H 1 8.305 0.03 . 1 . . . . A 563 GLU H . 30296 1 131 . 1 1 15 15 GLU HA H 1 3.848 0.03 . 1 . . . . A 563 GLU HA . 30296 1 132 . 1 1 15 15 GLU HB2 H 1 1.808 0.03 . 2 . . . . A 563 GLU HB2 . 30296 1 133 . 1 1 15 15 GLU HB3 H 1 1.922 0.03 . 2 . . . . A 563 GLU HB3 . 30296 1 134 . 1 1 15 15 GLU HG2 H 1 2.170 0.03 . 2 . . . . A 563 GLU HG2 . 30296 1 135 . 1 1 15 15 GLU HG3 H 1 2.237 0.03 . 2 . . . . A 563 GLU HG3 . 30296 1 136 . 1 1 15 15 GLU C C 13 176.056 0.30 . 1 . . . . A 563 GLU C . 30296 1 137 . 1 1 15 15 GLU CA C 13 59.130 0.30 . 1 . . . . A 563 GLU CA . 30296 1 138 . 1 1 15 15 GLU CB C 13 28.365 0.30 . 1 . . . . A 563 GLU CB . 30296 1 139 . 1 1 15 15 GLU CG C 13 36.215 0.30 . 1 . . . . A 563 GLU CG . 30296 1 140 . 1 1 15 15 GLU N N 15 116.473 0.30 . 1 . . . . A 563 GLU N . 30296 1 141 . 1 1 16 16 LYS H H 1 7.734 0.03 . 1 . . . . A 564 LYS H . 30296 1 142 . 1 1 16 16 LYS HA H 1 4.028 0.03 . 1 . . . . A 564 LYS HA . 30296 1 143 . 1 1 16 16 LYS HB2 H 1 1.785 0.03 . 2 . . . . A 564 LYS HB2 . 30296 1 144 . 1 1 16 16 LYS HB3 H 1 1.895 0.03 . 2 . . . . A 564 LYS HB3 . 30296 1 145 . 1 1 16 16 LYS HG2 H 1 1.369 0.03 . 2 . . . . A 564 LYS HG2 . 30296 1 146 . 1 1 16 16 LYS HG3 H 1 1.369 0.03 . 2 . . . . A 564 LYS HG3 . 30296 1 147 . 1 1 16 16 LYS HD2 H 1 1.553 0.03 . 2 . . . . A 564 LYS HD2 . 30296 1 148 . 1 1 16 16 LYS HD3 H 1 1.685 0.03 . 2 . . . . A 564 LYS HD3 . 30296 1 149 . 1 1 16 16 LYS HE2 H 1 2.973 0.03 . 2 . . . . A 564 LYS HE2 . 30296 1 150 . 1 1 16 16 LYS HE3 H 1 2.973 0.03 . 2 . . . . A 564 LYS HE3 . 30296 1 151 . 1 1 16 16 LYS C C 13 175.502 0.30 . 1 . . . . A 564 LYS C . 30296 1 152 . 1 1 16 16 LYS CA C 13 58.610 0.30 . 1 . . . . A 564 LYS CA . 30296 1 153 . 1 1 16 16 LYS CB C 13 31.894 0.30 . 1 . . . . A 564 LYS CB . 30296 1 154 . 1 1 16 16 LYS CG C 13 24.737 0.30 . 1 . . . . A 564 LYS CG . 30296 1 155 . 1 1 16 16 LYS CD C 13 28.590 0.30 . 1 . . . . A 564 LYS CD . 30296 1 156 . 1 1 16 16 LYS CE C 13 42.244 0.30 . 1 . . . . A 564 LYS CE . 30296 1 157 . 1 1 16 16 LYS N N 15 122.918 0.30 . 1 . . . . A 564 LYS N . 30296 1 158 . 1 1 17 17 ILE H H 1 7.868 0.03 . 1 . . . . A 565 ILE H . 30296 1 159 . 1 1 17 17 ILE HA H 1 3.844 0.03 . 1 . . . . A 565 ILE HA . 30296 1 160 . 1 1 17 17 ILE HB H 1 1.550 0.03 . 1 . . . . A 565 ILE HB . 30296 1 161 . 1 1 17 17 ILE HG12 H 1 0.914 0.03 . 2 . . . . A 565 ILE HG12 . 30296 1 162 . 1 1 17 17 ILE HG13 H 1 1.619 0.03 . 2 . . . . A 565 ILE HG13 . 30296 1 163 . 1 1 17 17 ILE HG21 H 1 0.728 0.03 . 1 . . . . A 565 ILE HG21 . 30296 1 164 . 1 1 17 17 ILE HG22 H 1 0.728 0.03 . 1 . . . . A 565 ILE HG22 . 30296 1 165 . 1 1 17 17 ILE HG23 H 1 0.728 0.03 . 1 . . . . A 565 ILE HG23 . 30296 1 166 . 1 1 17 17 ILE HD11 H 1 0.492 0.03 . 1 . . . . A 565 ILE HD11 . 30296 1 167 . 1 1 17 17 ILE HD12 H 1 0.492 0.03 . 1 . . . . A 565 ILE HD12 . 30296 1 168 . 1 1 17 17 ILE HD13 H 1 0.492 0.03 . 1 . . . . A 565 ILE HD13 . 30296 1 169 . 1 1 17 17 ILE C C 13 176.601 0.30 . 1 . . . . A 565 ILE C . 30296 1 170 . 1 1 17 17 ILE CA C 13 65.573 0.30 . 1 . . . . A 565 ILE CA . 30296 1 171 . 1 1 17 17 ILE CB C 13 38.113 0.30 . 1 . . . . A 565 ILE CB . 30296 1 172 . 1 1 17 17 ILE CG1 C 13 28.066 0.30 . 1 . . . . A 565 ILE CG1 . 30296 1 173 . 1 1 17 17 ILE CG2 C 13 17.657 0.30 . 1 . . . . A 565 ILE CG2 . 30296 1 174 . 1 1 17 17 ILE CD1 C 13 13.809 0.30 . 1 . . . . A 565 ILE CD1 . 30296 1 175 . 1 1 17 17 ILE N N 15 119.282 0.30 . 1 . . . . A 565 ILE N . 30296 1 176 . 1 1 18 18 LYS H H 1 8.127 0.03 . 1 . . . . A 566 LYS H . 30296 1 177 . 1 1 18 18 LYS HA H 1 3.798 0.03 . 1 . . . . A 566 LYS HA . 30296 1 178 . 1 1 18 18 LYS HB2 H 1 1.685 0.03 . 2 . . . . A 566 LYS HB2 . 30296 1 179 . 1 1 18 18 LYS HB3 H 1 1.829 0.03 . 2 . . . . A 566 LYS HB3 . 30296 1 180 . 1 1 18 18 LYS HG2 H 1 1.214 0.03 . 2 . . . . A 566 LYS HG2 . 30296 1 181 . 1 1 18 18 LYS HG3 H 1 1.456 0.03 . 2 . . . . A 566 LYS HG3 . 30296 1 182 . 1 1 18 18 LYS HD2 H 1 1.454 0.03 . 2 . . . . A 566 LYS HD2 . 30296 1 183 . 1 1 18 18 LYS HD3 H 1 1.526 0.03 . 2 . . . . A 566 LYS HD3 . 30296 1 184 . 1 1 18 18 LYS HE2 H 1 2.767 0.03 . 2 . . . . A 566 LYS HE2 . 30296 1 185 . 1 1 18 18 LYS HE3 H 1 2.822 0.03 . 2 . . . . A 566 LYS HE3 . 30296 1 186 . 1 1 18 18 LYS C C 13 176.373 0.30 . 1 . . . . A 566 LYS C . 30296 1 187 . 1 1 18 18 LYS CA C 13 60.034 0.30 . 1 . . . . A 566 LYS CA . 30296 1 188 . 1 1 18 18 LYS CB C 13 32.300 0.30 . 1 . . . . A 566 LYS CB . 30296 1 189 . 1 1 18 18 LYS CG C 13 25.661 0.30 . 1 . . . . A 566 LYS CG . 30296 1 190 . 1 1 18 18 LYS CD C 13 29.478 0.30 . 1 . . . . A 566 LYS CD . 30296 1 191 . 1 1 18 18 LYS CE C 13 41.555 0.30 . 1 . . . . A 566 LYS CE . 30296 1 192 . 1 1 18 18 LYS N N 15 118.623 0.30 . 1 . . . . A 566 LYS N . 30296 1 193 . 1 1 19 19 SER H H 1 8.006 0.03 . 1 . . . . A 567 SER H . 30296 1 194 . 1 1 19 19 SER HA H 1 4.033 0.03 . 1 . . . . A 567 SER HA . 30296 1 195 . 1 1 19 19 SER HB2 H 1 3.876 0.03 . 2 . . . . A 567 SER HB2 . 30296 1 196 . 1 1 19 19 SER HB3 H 1 3.923 0.03 . 2 . . . . A 567 SER HB3 . 30296 1 197 . 1 1 19 19 SER C C 13 173.365 0.30 . 1 . . . . A 567 SER C . 30296 1 198 . 1 1 19 19 SER CA C 13 61.181 0.30 . 1 . . . . A 567 SER CA . 30296 1 199 . 1 1 19 19 SER CB C 13 62.742 0.30 . 1 . . . . A 567 SER CB . 30296 1 200 . 1 1 19 19 SER N N 15 114.846 0.30 . 1 . . . . A 567 SER N . 30296 1 201 . 1 1 20 20 ASP H H 1 7.956 0.03 . 1 . . . . A 568 ASP H . 30296 1 202 . 1 1 20 20 ASP HA H 1 4.313 0.03 . 1 . . . . A 568 ASP HA . 30296 1 203 . 1 1 20 20 ASP HB2 H 1 2.169 0.03 . 2 . . . . A 568 ASP HB2 . 30296 1 204 . 1 1 20 20 ASP HB3 H 1 2.645 0.03 . 2 . . . . A 568 ASP HB3 . 30296 1 205 . 1 1 20 20 ASP C C 13 172.776 0.30 . 1 . . . . A 568 ASP C . 30296 1 206 . 1 1 20 20 ASP CA C 13 55.347 0.30 . 1 . . . . A 568 ASP CA . 30296 1 207 . 1 1 20 20 ASP CB C 13 40.977 0.30 . 1 . . . . A 568 ASP CB . 30296 1 208 . 1 1 20 20 ASP N N 15 119.776 0.30 . 1 . . . . A 568 ASP N . 30296 1 209 . 1 1 21 21 HIS H H 1 7.377 0.03 . 1 . . . . A 569 HIS H . 30296 1 210 . 1 1 21 21 HIS HA H 1 4.737 0.03 . 1 . . . . A 569 HIS HA . 30296 1 211 . 1 1 21 21 HIS HB2 H 1 2.834 0.03 . 2 . . . . A 569 HIS HB2 . 30296 1 212 . 1 1 21 21 HIS HB3 H 1 3.027 0.03 . 2 . . . . A 569 HIS HB3 . 30296 1 213 . 1 1 21 21 HIS HD2 H 1 7.021 0.03 . 1 . . . . A 569 HIS HD2 . 30296 1 214 . 1 1 21 21 HIS HE1 H 1 7.819 0.03 . 1 . . . . A 569 HIS HE1 . 30296 1 215 . 1 1 21 21 HIS C C 13 168.002 0.30 . 1 . . . . A 569 HIS C . 30296 1 216 . 1 1 21 21 HIS CA C 13 53.985 0.30 . 1 . . . . A 569 HIS CA . 30296 1 217 . 1 1 21 21 HIS CB C 13 29.633 0.30 . 1 . . . . A 569 HIS CB . 30296 1 218 . 1 1 21 21 HIS N N 15 118.316 0.30 . 1 . . . . A 569 HIS N . 30296 1 219 . 1 1 22 22 PRO HA H 1 4.335 0.03 . 1 . . . . A 570 PRO HA . 30296 1 220 . 1 1 22 22 PRO HB2 H 1 1.824 0.03 . 2 . . . . A 570 PRO HB2 . 30296 1 221 . 1 1 22 22 PRO HB3 H 1 2.187 0.03 . 2 . . . . A 570 PRO HB3 . 30296 1 222 . 1 1 22 22 PRO HG2 H 1 1.888 0.03 . 2 . . . . A 570 PRO HG2 . 30296 1 223 . 1 1 22 22 PRO HG3 H 1 1.961 0.03 . 2 . . . . A 570 PRO HG3 . 30296 1 224 . 1 1 22 22 PRO HD2 H 1 3.304 0.03 . 2 . . . . A 570 PRO HD2 . 30296 1 225 . 1 1 22 22 PRO HD3 H 1 3.402 0.03 . 2 . . . . A 570 PRO HD3 . 30296 1 226 . 1 1 22 22 PRO C C 13 176.330 0.30 . 1 . . . . A 570 PRO C . 30296 1 227 . 1 1 22 22 PRO CA C 13 63.963 0.30 . 1 . . . . A 570 PRO CA . 30296 1 228 . 1 1 22 22 PRO CB C 13 31.402 0.30 . 1 . . . . A 570 PRO CB . 30296 1 229 . 1 1 22 22 PRO CG C 13 27.614 0.30 . 1 . . . . A 570 PRO CG . 30296 1 230 . 1 1 22 22 PRO CD C 13 49.666 0.30 . 1 . . . . A 570 PRO CD . 30296 1 231 . 1 1 23 23 GLY H H 1 8.773 0.03 . 1 . . . . A 571 GLY H . 30296 1 232 . 1 1 23 23 GLY HA2 H 1 4.017 0.03 . 2 . . . . A 571 GLY HA2 . 30296 1 233 . 1 1 23 23 GLY HA3 H 1 3.683 0.03 . 2 . . . . A 571 GLY HA3 . 30296 1 234 . 1 1 23 23 GLY C C 13 172.059 0.30 . 1 . . . . A 571 GLY C . 30296 1 235 . 1 1 23 23 GLY CA C 13 45.332 0.30 . 1 . . . . A 571 GLY CA . 30296 1 236 . 1 1 23 23 GLY N N 15 112.042 0.30 . 1 . . . . A 571 GLY N . 30296 1 237 . 1 1 24 24 ILE H H 1 7.723 0.03 . 1 . . . . A 572 ILE H . 30296 1 238 . 1 1 24 24 ILE HA H 1 4.188 0.03 . 1 . . . . A 572 ILE HA . 30296 1 239 . 1 1 24 24 ILE HB H 1 2.179 0.03 . 1 . . . . A 572 ILE HB . 30296 1 240 . 1 1 24 24 ILE HG12 H 1 1.554 0.03 . 2 . . . . A 572 ILE HG12 . 30296 1 241 . 1 1 24 24 ILE HG13 H 1 1.450 0.03 . 2 . . . . A 572 ILE HG13 . 30296 1 242 . 1 1 24 24 ILE HG21 H 1 0.905 0.03 . 1 . . . . A 572 ILE HG21 . 30296 1 243 . 1 1 24 24 ILE HG22 H 1 0.905 0.03 . 1 . . . . A 572 ILE HG22 . 30296 1 244 . 1 1 24 24 ILE HG23 H 1 0.905 0.03 . 1 . . . . A 572 ILE HG23 . 30296 1 245 . 1 1 24 24 ILE HD11 H 1 0.511 0.03 . 1 . . . . A 572 ILE HD11 . 30296 1 246 . 1 1 24 24 ILE HD12 H 1 0.511 0.03 . 1 . . . . A 572 ILE HD12 . 30296 1 247 . 1 1 24 24 ILE HD13 H 1 0.511 0.03 . 1 . . . . A 572 ILE HD13 . 30296 1 248 . 1 1 24 24 ILE C C 13 172.276 0.30 . 1 . . . . A 572 ILE C . 30296 1 249 . 1 1 24 24 ILE CA C 13 61.721 0.30 . 1 . . . . A 572 ILE CA . 30296 1 250 . 1 1 24 24 ILE CB C 13 38.230 0.30 . 1 . . . . A 572 ILE CB . 30296 1 251 . 1 1 24 24 ILE CG1 C 13 28.630 0.30 . 1 . . . . A 572 ILE CG1 . 30296 1 252 . 1 1 24 24 ILE CG2 C 13 16.852 0.30 . 1 . . . . A 572 ILE CG2 . 30296 1 253 . 1 1 24 24 ILE CD1 C 13 13.507 0.30 . 1 . . . . A 572 ILE CD1 . 30296 1 254 . 1 1 24 24 ILE N N 15 121.024 0.30 . 1 . . . . A 572 ILE N . 30296 1 255 . 1 1 25 25 SER H H 1 9.000 0.03 . 1 . . . . A 573 SER H . 30296 1 256 . 1 1 25 25 SER HA H 1 4.420 0.03 . 1 . . . . A 573 SER HA . 30296 1 257 . 1 1 25 25 SER HB2 H 1 4.008 0.03 . 2 . . . . A 573 SER HB2 . 30296 1 258 . 1 1 25 25 SER HB3 H 1 4.277 0.03 . 2 . . . . A 573 SER HB3 . 30296 1 259 . 1 1 25 25 SER C C 13 172.325 0.30 . 1 . . . . A 573 SER C . 30296 1 260 . 1 1 25 25 SER CA C 13 57.221 0.30 . 1 . . . . A 573 SER CA . 30296 1 261 . 1 1 25 25 SER CB C 13 65.244 0.30 . 1 . . . . A 573 SER CB . 30296 1 262 . 1 1 25 25 SER N N 15 123.212 0.30 . 1 . . . . A 573 SER N . 30296 1 263 . 1 1 26 26 ILE H H 1 8.662 0.03 . 1 . . . . A 574 ILE H . 30296 1 264 . 1 1 26 26 ILE HA H 1 3.779 0.03 . 1 . . . . A 574 ILE HA . 30296 1 265 . 1 1 26 26 ILE HB H 1 1.831 0.03 . 1 . . . . A 574 ILE HB . 30296 1 266 . 1 1 26 26 ILE HG12 H 1 1.525 0.03 . 2 . . . . A 574 ILE HG12 . 30296 1 267 . 1 1 26 26 ILE HG13 H 1 1.225 0.03 . 2 . . . . A 574 ILE HG13 . 30296 1 268 . 1 1 26 26 ILE HG21 H 1 0.882 0.03 . 1 . . . . A 574 ILE HG21 . 30296 1 269 . 1 1 26 26 ILE HG22 H 1 0.882 0.03 . 1 . . . . A 574 ILE HG22 . 30296 1 270 . 1 1 26 26 ILE HG23 H 1 0.882 0.03 . 1 . . . . A 574 ILE HG23 . 30296 1 271 . 1 1 26 26 ILE HD11 H 1 0.809 0.03 . 1 . . . . A 574 ILE HD11 . 30296 1 272 . 1 1 26 26 ILE HD12 H 1 0.809 0.03 . 1 . . . . A 574 ILE HD12 . 30296 1 273 . 1 1 26 26 ILE HD13 H 1 0.809 0.03 . 1 . . . . A 574 ILE HD13 . 30296 1 274 . 1 1 26 26 ILE C C 13 176.176 0.30 . 1 . . . . A 574 ILE C . 30296 1 275 . 1 1 26 26 ILE CA C 13 64.549 0.30 . 1 . . . . A 574 ILE CA . 30296 1 276 . 1 1 26 26 ILE CB C 13 37.675 0.30 . 1 . . . . A 574 ILE CB . 30296 1 277 . 1 1 26 26 ILE CG1 C 13 28.584 0.30 . 1 . . . . A 574 ILE CG1 . 30296 1 278 . 1 1 26 26 ILE CG2 C 13 17.421 0.30 . 1 . . . . A 574 ILE CG2 . 30296 1 279 . 1 1 26 26 ILE CD1 C 13 12.811 0.30 . 1 . . . . A 574 ILE CD1 . 30296 1 280 . 1 1 26 26 ILE N N 15 120.632 0.30 . 1 . . . . A 574 ILE N . 30296 1 281 . 1 1 27 27 THR H H 1 7.883 0.03 . 1 . . . . A 575 THR H . 30296 1 282 . 1 1 27 27 THR HA H 1 3.986 0.03 . 1 . . . . A 575 THR HA . 30296 1 283 . 1 1 27 27 THR HB H 1 3.991 0.03 . 1 . . . . A 575 THR HB . 30296 1 284 . 1 1 27 27 THR HG21 H 1 1.156 0.03 . 1 . . . . A 575 THR HG21 . 30296 1 285 . 1 1 27 27 THR HG22 H 1 1.156 0.03 . 1 . . . . A 575 THR HG22 . 30296 1 286 . 1 1 27 27 THR HG23 H 1 1.156 0.03 . 1 . . . . A 575 THR HG23 . 30296 1 287 . 1 1 27 27 THR C C 13 174.408 0.30 . 1 . . . . A 575 THR C . 30296 1 288 . 1 1 27 27 THR CA C 13 65.324 0.30 . 1 . . . . A 575 THR CA . 30296 1 289 . 1 1 27 27 THR CB C 13 68.180 0.30 . 1 . . . . A 575 THR CB . 30296 1 290 . 1 1 27 27 THR CG2 C 13 21.946 0.30 . 1 . . . . A 575 THR CG2 . 30296 1 291 . 1 1 27 27 THR N N 15 114.682 0.30 . 1 . . . . A 575 THR N . 30296 1 292 . 1 1 28 28 ASP H H 1 7.790 0.03 . 1 . . . . A 576 ASP H . 30296 1 293 . 1 1 28 28 ASP HA H 1 4.470 0.03 . 1 . . . . A 576 ASP HA . 30296 1 294 . 1 1 28 28 ASP HB2 H 1 2.437 0.03 . 2 . . . . A 576 ASP HB2 . 30296 1 295 . 1 1 28 28 ASP HB3 H 1 2.734 0.03 . 2 . . . . A 576 ASP HB3 . 30296 1 296 . 1 1 28 28 ASP C C 13 176.091 0.30 . 1 . . . . A 576 ASP C . 30296 1 297 . 1 1 28 28 ASP CA C 13 56.980 0.30 . 1 . . . . A 576 ASP CA . 30296 1 298 . 1 1 28 28 ASP CB C 13 39.345 0.30 . 1 . . . . A 576 ASP CB . 30296 1 299 . 1 1 28 28 ASP N N 15 123.748 0.30 . 1 . . . . A 576 ASP N . 30296 1 300 . 1 1 29 29 LEU H H 1 8.721 0.03 . 1 . . . . A 577 LEU H . 30296 1 301 . 1 1 29 29 LEU HA H 1 3.808 0.03 . 1 . . . . A 577 LEU HA . 30296 1 302 . 1 1 29 29 LEU HB2 H 1 1.549 0.03 . 2 . . . . A 577 LEU HB2 . 30296 1 303 . 1 1 29 29 LEU HB3 H 1 1.855 0.03 . 2 . . . . A 577 LEU HB3 . 30296 1 304 . 1 1 29 29 LEU HG H 1 1.487 0.03 . 1 . . . . A 577 LEU HG . 30296 1 305 . 1 1 29 29 LEU HD11 H 1 0.733 0.03 . 2 . . . . A 577 LEU HD11 . 30296 1 306 . 1 1 29 29 LEU HD12 H 1 0.733 0.03 . 2 . . . . A 577 LEU HD12 . 30296 1 307 . 1 1 29 29 LEU HD13 H 1 0.733 0.03 . 2 . . . . A 577 LEU HD13 . 30296 1 308 . 1 1 29 29 LEU HD21 H 1 0.762 0.03 . 2 . . . . A 577 LEU HD21 . 30296 1 309 . 1 1 29 29 LEU HD22 H 1 0.762 0.03 . 2 . . . . A 577 LEU HD22 . 30296 1 310 . 1 1 29 29 LEU HD23 H 1 0.762 0.03 . 2 . . . . A 577 LEU HD23 . 30296 1 311 . 1 1 29 29 LEU C C 13 175.305 0.30 . 1 . . . . A 577 LEU C . 30296 1 312 . 1 1 29 29 LEU CA C 13 58.882 0.30 . 1 . . . . A 577 LEU CA . 30296 1 313 . 1 1 29 29 LEU CB C 13 41.168 0.30 . 1 . . . . A 577 LEU CB . 30296 1 314 . 1 1 29 29 LEU CG C 13 27.576 0.30 . 1 . . . . A 577 LEU CG . 30296 1 315 . 1 1 29 29 LEU CD1 C 13 25.224 0.30 . 2 . . . . A 577 LEU CD1 . 30296 1 316 . 1 1 29 29 LEU CD2 C 13 24.856 0.30 . 2 . . . . A 577 LEU CD2 . 30296 1 317 . 1 1 29 29 LEU N N 15 124.958 0.30 . 1 . . . . A 577 LEU N . 30296 1 318 . 1 1 30 30 SER H H 1 7.633 0.03 . 1 . . . . A 578 SER H . 30296 1 319 . 1 1 30 30 SER HA H 1 4.037 0.03 . 1 . . . . A 578 SER HA . 30296 1 320 . 1 1 30 30 SER HB2 H 1 3.939 0.03 . 2 . . . . A 578 SER HB2 . 30296 1 321 . 1 1 30 30 SER HB3 H 1 3.939 0.03 . 2 . . . . A 578 SER HB3 . 30296 1 322 . 1 1 30 30 SER C C 13 174.459 0.30 . 1 . . . . A 578 SER C . 30296 1 323 . 1 1 30 30 SER CA C 13 61.758 0.30 . 1 . . . . A 578 SER CA . 30296 1 324 . 1 1 30 30 SER CB C 13 62.577 0.30 . 1 . . . . A 578 SER CB . 30296 1 325 . 1 1 30 30 SER N N 15 113.829 0.30 . 1 . . . . A 578 SER N . 30296 1 326 . 1 1 31 31 LYS H H 1 7.436 0.03 . 1 . . . . A 579 LYS H . 30296 1 327 . 1 1 31 31 LYS HA H 1 4.028 0.03 . 1 . . . . A 579 LYS HA . 30296 1 328 . 1 1 31 31 LYS HB2 H 1 1.857 0.03 . 2 . . . . A 579 LYS HB2 . 30296 1 329 . 1 1 31 31 LYS HB3 H 1 1.857 0.03 . 2 . . . . A 579 LYS HB3 . 30296 1 330 . 1 1 31 31 LYS HG2 H 1 1.318 0.03 . 2 . . . . A 579 LYS HG2 . 30296 1 331 . 1 1 31 31 LYS HG3 H 1 1.484 0.03 . 2 . . . . A 579 LYS HG3 . 30296 1 332 . 1 1 31 31 LYS HD2 H 1 1.615 0.03 . 2 . . . . A 579 LYS HD2 . 30296 1 333 . 1 1 31 31 LYS HD3 H 1 1.615 0.03 . 2 . . . . A 579 LYS HD3 . 30296 1 334 . 1 1 31 31 LYS HE2 H 1 2.872 0.03 . 2 . . . . A 579 LYS HE2 . 30296 1 335 . 1 1 31 31 LYS HE3 H 1 2.872 0.03 . 2 . . . . A 579 LYS HE3 . 30296 1 336 . 1 1 31 31 LYS C C 13 176.403 0.30 . 1 . . . . A 579 LYS C . 30296 1 337 . 1 1 31 31 LYS CA C 13 59.347 0.30 . 1 . . . . A 579 LYS CA . 30296 1 338 . 1 1 31 31 LYS CB C 13 32.529 0.30 . 1 . . . . A 579 LYS CB . 30296 1 339 . 1 1 31 31 LYS CG C 13 24.853 0.30 . 1 . . . . A 579 LYS CG . 30296 1 340 . 1 1 31 31 LYS CD C 13 29.437 0.30 . 1 . . . . A 579 LYS CD . 30296 1 341 . 1 1 31 31 LYS CE C 13 41.962 0.30 . 1 . . . . A 579 LYS CE . 30296 1 342 . 1 1 31 31 LYS N N 15 121.584 0.30 . 1 . . . . A 579 LYS N . 30296 1 343 . 1 1 32 32 LYS H H 1 8.330 0.03 . 1 . . . . A 580 LYS H . 30296 1 344 . 1 1 32 32 LYS HA H 1 4.054 0.03 . 1 . . . . A 580 LYS HA . 30296 1 345 . 1 1 32 32 LYS HB2 H 1 1.622 0.03 . 2 . . . . A 580 LYS HB2 . 30296 1 346 . 1 1 32 32 LYS HB3 H 1 1.744 0.03 . 2 . . . . A 580 LYS HB3 . 30296 1 347 . 1 1 32 32 LYS HG2 H 1 0.881 0.03 . 2 . . . . A 580 LYS HG2 . 30296 1 348 . 1 1 32 32 LYS HG3 H 1 1.185 0.03 . 2 . . . . A 580 LYS HG3 . 30296 1 349 . 1 1 32 32 LYS HD2 H 1 1.323 0.03 . 2 . . . . A 580 LYS HD2 . 30296 1 350 . 1 1 32 32 LYS HD3 H 1 1.475 0.03 . 2 . . . . A 580 LYS HD3 . 30296 1 351 . 1 1 32 32 LYS HE2 H 1 2.320 0.03 . 2 . . . . A 580 LYS HE2 . 30296 1 352 . 1 1 32 32 LYS HE3 H 1 2.636 0.03 . 2 . . . . A 580 LYS HE3 . 30296 1 353 . 1 1 32 32 LYS C C 13 175.709 0.30 . 1 . . . . A 580 LYS C . 30296 1 354 . 1 1 32 32 LYS CA C 13 57.717 0.30 . 1 . . . . A 580 LYS CA . 30296 1 355 . 1 1 32 32 LYS CB C 13 30.854 0.30 . 1 . . . . A 580 LYS CB . 30296 1 356 . 1 1 32 32 LYS CG C 13 23.666 0.30 . 1 . . . . A 580 LYS CG . 30296 1 357 . 1 1 32 32 LYS CD C 13 27.064 0.30 . 1 . . . . A 580 LYS CD . 30296 1 358 . 1 1 32 32 LYS CE C 13 40.975 0.30 . 1 . . . . A 580 LYS CE . 30296 1 359 . 1 1 32 32 LYS N N 15 121.052 0.30 . 1 . . . . A 580 LYS N . 30296 1 360 . 1 1 33 33 ALA H H 1 8.855 0.03 . 1 . . . . A 581 ALA H . 30296 1 361 . 1 1 33 33 ALA HA H 1 4.223 0.03 . 1 . . . . A 581 ALA HA . 30296 1 362 . 1 1 33 33 ALA HB1 H 1 1.548 0.03 . 1 . . . . A 581 ALA HB1 . 30296 1 363 . 1 1 33 33 ALA HB2 H 1 1.548 0.03 . 1 . . . . A 581 ALA HB2 . 30296 1 364 . 1 1 33 33 ALA HB3 H 1 1.548 0.03 . 1 . . . . A 581 ALA HB3 . 30296 1 365 . 1 1 33 33 ALA C C 13 176.588 0.30 . 1 . . . . A 581 ALA C . 30296 1 366 . 1 1 33 33 ALA CA C 13 55.724 0.30 . 1 . . . . A 581 ALA CA . 30296 1 367 . 1 1 33 33 ALA CB C 13 18.840 0.30 . 1 . . . . A 581 ALA CB . 30296 1 368 . 1 1 33 33 ALA N N 15 120.946 0.30 . 1 . . . . A 581 ALA N . 30296 1 369 . 1 1 34 34 GLY H H 1 7.904 0.03 . 1 . . . . A 582 GLY H . 30296 1 370 . 1 1 34 34 GLY HA2 H 1 3.938 0.03 . 2 . . . . A 582 GLY HA2 . 30296 1 371 . 1 1 34 34 GLY HA3 H 1 3.857 0.03 . 2 . . . . A 582 GLY HA3 . 30296 1 372 . 1 1 34 34 GLY C C 13 174.129 0.30 . 1 . . . . A 582 GLY C . 30296 1 373 . 1 1 34 34 GLY CA C 13 47.587 0.30 . 1 . . . . A 582 GLY CA . 30296 1 374 . 1 1 34 34 GLY N N 15 103.849 0.30 . 1 . . . . A 582 GLY N . 30296 1 375 . 1 1 35 35 GLU H H 1 7.775 0.03 . 1 . . . . A 583 GLU H . 30296 1 376 . 1 1 35 35 GLU HA H 1 3.968 0.03 . 1 . . . . A 583 GLU HA . 30296 1 377 . 1 1 35 35 GLU HB2 H 1 2.097 0.03 . 2 . . . . A 583 GLU HB2 . 30296 1 378 . 1 1 35 35 GLU HB3 H 1 2.246 0.03 . 2 . . . . A 583 GLU HB3 . 30296 1 379 . 1 1 35 35 GLU HG2 H 1 2.164 0.03 . 2 . . . . A 583 GLU HG2 . 30296 1 380 . 1 1 35 35 GLU HG3 H 1 2.363 0.03 . 2 . . . . A 583 GLU HG3 . 30296 1 381 . 1 1 35 35 GLU C C 13 177.077 0.30 . 1 . . . . A 583 GLU C . 30296 1 382 . 1 1 35 35 GLU CA C 13 59.137 0.30 . 1 . . . . A 583 GLU CA . 30296 1 383 . 1 1 35 35 GLU CB C 13 29.734 0.30 . 1 . . . . A 583 GLU CB . 30296 1 384 . 1 1 35 35 GLU CG C 13 36.125 0.30 . 1 . . . . A 583 GLU CG . 30296 1 385 . 1 1 35 35 GLU N N 15 122.750 0.30 . 1 . . . . A 583 GLU N . 30296 1 386 . 1 1 36 36 ILE H H 1 8.549 0.03 . 1 . . . . A 584 ILE H . 30296 1 387 . 1 1 36 36 ILE HA H 1 3.613 0.03 . 1 . . . . A 584 ILE HA . 30296 1 388 . 1 1 36 36 ILE HB H 1 2.154 0.03 . 1 . . . . A 584 ILE HB . 30296 1 389 . 1 1 36 36 ILE HG12 H 1 1.907 0.03 . 2 . . . . A 584 ILE HG12 . 30296 1 390 . 1 1 36 36 ILE HG13 H 1 1.075 0.03 . 2 . . . . A 584 ILE HG13 . 30296 1 391 . 1 1 36 36 ILE HG21 H 1 1.079 0.03 . 1 . . . . A 584 ILE HG21 . 30296 1 392 . 1 1 36 36 ILE HG22 H 1 1.079 0.03 . 1 . . . . A 584 ILE HG22 . 30296 1 393 . 1 1 36 36 ILE HG23 H 1 1.079 0.03 . 1 . . . . A 584 ILE HG23 . 30296 1 394 . 1 1 36 36 ILE HD11 H 1 0.949 0.03 . 1 . . . . A 584 ILE HD11 . 30296 1 395 . 1 1 36 36 ILE HD12 H 1 0.949 0.03 . 1 . . . . A 584 ILE HD12 . 30296 1 396 . 1 1 36 36 ILE HD13 H 1 0.949 0.03 . 1 . . . . A 584 ILE HD13 . 30296 1 397 . 1 1 36 36 ILE C C 13 176.506 0.30 . 1 . . . . A 584 ILE C . 30296 1 398 . 1 1 36 36 ILE CA C 13 65.216 0.30 . 1 . . . . A 584 ILE CA . 30296 1 399 . 1 1 36 36 ILE CB C 13 38.683 0.30 . 1 . . . . A 584 ILE CB . 30296 1 400 . 1 1 36 36 ILE CG1 C 13 29.003 0.30 . 1 . . . . A 584 ILE CG1 . 30296 1 401 . 1 1 36 36 ILE CG2 C 13 18.129 0.30 . 1 . . . . A 584 ILE CG2 . 30296 1 402 . 1 1 36 36 ILE CD1 C 13 14.447 0.30 . 1 . . . . A 584 ILE CD1 . 30296 1 403 . 1 1 36 36 ILE N N 15 123.077 0.30 . 1 . . . . A 584 ILE N . 30296 1 404 . 1 1 37 37 TRP H H 1 8.506 0.03 . 1 . . . . A 585 TRP H . 30296 1 405 . 1 1 37 37 TRP HA H 1 3.829 0.03 . 1 . . . . A 585 TRP HA . 30296 1 406 . 1 1 37 37 TRP HB2 H 1 2.962 0.03 . 2 . . . . A 585 TRP HB2 . 30296 1 407 . 1 1 37 37 TRP HB3 H 1 3.034 0.03 . 2 . . . . A 585 TRP HB3 . 30296 1 408 . 1 1 37 37 TRP HD1 H 1 6.845 0.03 . 1 . . . . A 585 TRP HD1 . 30296 1 409 . 1 1 37 37 TRP HE1 H 1 9.936 0.03 . 1 . . . . A 585 TRP HE1 . 30296 1 410 . 1 1 37 37 TRP HE3 H 1 5.715 0.03 . 1 . . . . A 585 TRP HE3 . 30296 1 411 . 1 1 37 37 TRP HZ2 H 1 7.386 0.03 . 1 . . . . A 585 TRP HZ2 . 30296 1 412 . 1 1 37 37 TRP HZ3 H 1 6.116 0.03 . 1 . . . . A 585 TRP HZ3 . 30296 1 413 . 1 1 37 37 TRP HH2 H 1 6.913 0.03 . 1 . . . . A 585 TRP HH2 . 30296 1 414 . 1 1 37 37 TRP C C 13 176.058 0.30 . 1 . . . . A 585 TRP C . 30296 1 415 . 1 1 37 37 TRP CA C 13 59.968 0.30 . 1 . . . . A 585 TRP CA . 30296 1 416 . 1 1 37 37 TRP CB C 13 29.666 0.30 . 1 . . . . A 585 TRP CB . 30296 1 417 . 1 1 37 37 TRP N N 15 121.029 0.30 . 1 . . . . A 585 TRP N . 30296 1 418 . 1 1 37 37 TRP NE1 N 15 127.242 0.30 . 1 . . . . A 585 TRP NE1 . 30296 1 419 . 1 1 38 38 LYS H H 1 7.968 0.03 . 1 . . . . A 586 LYS H . 30296 1 420 . 1 1 38 38 LYS HA H 1 3.685 0.03 . 1 . . . . A 586 LYS HA . 30296 1 421 . 1 1 38 38 LYS HB2 H 1 1.808 0.03 . 2 . . . . A 586 LYS HB2 . 30296 1 422 . 1 1 38 38 LYS HB3 H 1 1.808 0.03 . 2 . . . . A 586 LYS HB3 . 30296 1 423 . 1 1 38 38 LYS HG2 H 1 1.268 0.03 . 2 . . . . A 586 LYS HG2 . 30296 1 424 . 1 1 38 38 LYS HG3 H 1 1.355 0.03 . 2 . . . . A 586 LYS HG3 . 30296 1 425 . 1 1 38 38 LYS HD2 H 1 1.573 0.03 . 2 . . . . A 586 LYS HD2 . 30296 1 426 . 1 1 38 38 LYS HD3 H 1 1.573 0.03 . 2 . . . . A 586 LYS HD3 . 30296 1 427 . 1 1 38 38 LYS HE2 H 1 2.899 0.03 . 2 . . . . A 586 LYS HE2 . 30296 1 428 . 1 1 38 38 LYS HE3 H 1 2.899 0.03 . 2 . . . . A 586 LYS HE3 . 30296 1 429 . 1 1 38 38 LYS C C 13 175.515 0.30 . 1 . . . . A 586 LYS C . 30296 1 430 . 1 1 38 38 LYS CA C 13 59.633 0.30 . 1 . . . . A 586 LYS CA . 30296 1 431 . 1 1 38 38 LYS CB C 13 32.271 0.30 . 1 . . . . A 586 LYS CB . 30296 1 432 . 1 1 38 38 LYS CG C 13 24.436 0.30 . 1 . . . . A 586 LYS CG . 30296 1 433 . 1 1 38 38 LYS CD C 13 29.383 0.30 . 1 . . . . A 586 LYS CD . 30296 1 434 . 1 1 38 38 LYS CE C 13 42.022 0.30 . 1 . . . . A 586 LYS CE . 30296 1 435 . 1 1 38 38 LYS N N 15 117.604 0.30 . 1 . . . . A 586 LYS N . 30296 1 436 . 1 1 39 39 GLY H H 1 7.320 0.03 . 1 . . . . A 587 GLY H . 30296 1 437 . 1 1 39 39 GLY HA2 H 1 3.993 0.03 . 2 . . . . A 587 GLY HA2 . 30296 1 438 . 1 1 39 39 GLY HA3 H 1 3.568 0.03 . 2 . . . . A 587 GLY HA3 . 30296 1 439 . 1 1 39 39 GLY C C 13 171.401 0.30 . 1 . . . . A 587 GLY C . 30296 1 440 . 1 1 39 39 GLY CA C 13 44.891 0.30 . 1 . . . . A 587 GLY CA . 30296 1 441 . 1 1 39 39 GLY N N 15 102.949 0.30 . 1 . . . . A 587 GLY N . 30296 1 442 . 1 1 40 40 MET H H 1 7.094 0.03 . 1 . . . . A 588 MET H . 30296 1 443 . 1 1 40 40 MET HA H 1 3.960 0.03 . 1 . . . . A 588 MET HA . 30296 1 444 . 1 1 40 40 MET HB2 H 1 1.482 0.03 . 2 . . . . A 588 MET HB2 . 30296 1 445 . 1 1 40 40 MET HB3 H 1 1.585 0.03 . 2 . . . . A 588 MET HB3 . 30296 1 446 . 1 1 40 40 MET HG2 H 1 2.379 0.03 . 2 . . . . A 588 MET HG2 . 30296 1 447 . 1 1 40 40 MET HG3 H 1 2.379 0.03 . 2 . . . . A 588 MET HG3 . 30296 1 448 . 1 1 40 40 MET HE1 H 1 1.420 0.03 . 1 . . . . A 588 MET HE1 . 30296 1 449 . 1 1 40 40 MET HE2 H 1 1.420 0.03 . 1 . . . . A 588 MET HE2 . 30296 1 450 . 1 1 40 40 MET HE3 H 1 1.420 0.03 . 1 . . . . A 588 MET HE3 . 30296 1 451 . 1 1 40 40 MET C C 13 173.171 0.30 . 1 . . . . A 588 MET C . 30296 1 452 . 1 1 40 40 MET CA C 13 56.288 0.30 . 1 . . . . A 588 MET CA . 30296 1 453 . 1 1 40 40 MET CB C 13 33.798 0.30 . 1 . . . . A 588 MET CB . 30296 1 454 . 1 1 40 40 MET CG C 13 31.212 0.30 . 1 . . . . A 588 MET CG . 30296 1 455 . 1 1 40 40 MET CE C 13 15.581 0.30 . 1 . . . . A 588 MET CE . 30296 1 456 . 1 1 40 40 MET N N 15 122.455 0.30 . 1 . . . . A 588 MET N . 30296 1 457 . 1 1 41 41 SER H H 1 8.387 0.03 . 1 . . . . A 589 SER H . 30296 1 458 . 1 1 41 41 SER HA H 1 4.131 0.03 . 1 . . . . A 589 SER HA . 30296 1 459 . 1 1 41 41 SER HB2 H 1 3.954 0.03 . 2 . . . . A 589 SER HB2 . 30296 1 460 . 1 1 41 41 SER HB3 H 1 4.227 0.03 . 2 . . . . A 589 SER HB3 . 30296 1 461 . 1 1 41 41 SER C C 13 171.760 0.30 . 1 . . . . A 589 SER C . 30296 1 462 . 1 1 41 41 SER CA C 13 57.493 0.30 . 1 . . . . A 589 SER CA . 30296 1 463 . 1 1 41 41 SER CB C 13 64.562 0.30 . 1 . . . . A 589 SER CB . 30296 1 464 . 1 1 41 41 SER N N 15 119.297 0.30 . 1 . . . . A 589 SER N . 30296 1 465 . 1 1 42 42 LYS H H 1 8.749 0.03 . 1 . . . . A 590 LYS H . 30296 1 466 . 1 1 42 42 LYS HA H 1 3.698 0.03 . 1 . . . . A 590 LYS HA . 30296 1 467 . 1 1 42 42 LYS HB2 H 1 1.658 0.03 . 2 . . . . A 590 LYS HB2 . 30296 1 468 . 1 1 42 42 LYS HB3 H 1 1.806 0.03 . 2 . . . . A 590 LYS HB3 . 30296 1 469 . 1 1 42 42 LYS HG2 H 1 1.269 0.03 . 2 . . . . A 590 LYS HD2 . 30296 1 470 . 1 1 42 42 LYS HG3 H 1 1.353 0.03 . 2 . . . . A 590 LYS HD3 . 30296 1 471 . 1 1 42 42 LYS C C 13 175.949 0.30 . 1 . . . . A 590 LYS C . 30296 1 472 . 1 1 42 42 LYS CA C 13 59.778 0.30 . 1 . . . . A 590 LYS CA . 30296 1 473 . 1 1 42 42 LYS CB C 13 32.316 0.30 . 1 . . . . A 590 LYS CB . 30296 1 474 . 1 1 42 42 LYS CG C 13 24.400 0.30 . 1 . . . . A 590 LYS CG . 30296 1 475 . 1 1 42 42 LYS CD C 13 29.415 0.30 . 1 . . . . A 590 LYS CD . 30296 1 476 . 1 1 42 42 LYS CE C 13 41.899 0.30 . 1 . . . . A 590 LYS CE . 30296 1 477 . 1 1 42 42 LYS N N 15 122.442 0.30 . 1 . . . . A 590 LYS N . 30296 1 478 . 1 1 43 43 GLU H H 1 8.857 0.03 . 1 . . . . A 591 GLU H . 30296 1 479 . 1 1 43 43 GLU HA H 1 4.003 0.03 . 1 . . . . A 591 GLU HA . 30296 1 480 . 1 1 43 43 GLU HB2 H 1 1.858 0.03 . 2 . . . . A 591 GLU HB2 . 30296 1 481 . 1 1 43 43 GLU HB3 H 1 1.977 0.03 . 2 . . . . A 591 GLU HB3 . 30296 1 482 . 1 1 43 43 GLU HG2 H 1 2.199 0.03 . 2 . . . . A 591 GLU HG2 . 30296 1 483 . 1 1 43 43 GLU HG3 H 1 2.319 0.03 . 2 . . . . A 591 GLU HG3 . 30296 1 484 . 1 1 43 43 GLU C C 13 176.635 0.30 . 1 . . . . A 591 GLU C . 30296 1 485 . 1 1 43 43 GLU CA C 13 60.034 0.30 . 1 . . . . A 591 GLU CA . 30296 1 486 . 1 1 43 43 GLU CB C 13 28.558 0.30 . 1 . . . . A 591 GLU CB . 30296 1 487 . 1 1 43 43 GLU CG C 13 36.845 0.30 . 1 . . . . A 591 GLU CG . 30296 1 488 . 1 1 43 43 GLU N N 15 117.632 0.30 . 1 . . . . A 591 GLU N . 30296 1 489 . 1 1 44 44 LYS H H 1 7.540 0.03 . 1 . . . . A 592 LYS H . 30296 1 490 . 1 1 44 44 LYS HA H 1 4.140 0.03 . 1 . . . . A 592 LYS HA . 30296 1 491 . 1 1 44 44 LYS HB2 H 1 1.777 0.03 . 2 . . . . A 592 LYS HB2 . 30296 1 492 . 1 1 44 44 LYS HB3 H 1 1.851 0.03 . 2 . . . . A 592 LYS HB3 . 30296 1 493 . 1 1 44 44 LYS HG2 H 1 1.409 0.03 . 2 . . . . A 592 LYS HG2 . 30296 1 494 . 1 1 44 44 LYS HG3 H 1 1.523 0.03 . 2 . . . . A 592 LYS HG3 . 30296 1 495 . 1 1 44 44 LYS HD2 H 1 1.691 0.03 . 2 . . . . A 592 LYS HD2 . 30296 1 496 . 1 1 44 44 LYS HD3 H 1 1.691 0.03 . 2 . . . . A 592 LYS HD3 . 30296 1 497 . 1 1 44 44 LYS HE2 H 1 2.971 0.03 . 2 . . . . A 592 LYS HE2 . 30296 1 498 . 1 1 44 44 LYS HE3 H 1 2.971 0.03 . 2 . . . . A 592 LYS HE3 . 30296 1 499 . 1 1 44 44 LYS C C 13 176.482 0.30 . 1 . . . . A 592 LYS C . 30296 1 500 . 1 1 44 44 LYS CA C 13 57.905 0.30 . 1 . . . . A 592 LYS CA . 30296 1 501 . 1 1 44 44 LYS CB C 13 31.999 0.30 . 1 . . . . A 592 LYS CB . 30296 1 502 . 1 1 44 44 LYS CG C 13 25.536 0.30 . 1 . . . . A 592 LYS CG . 30296 1 503 . 1 1 44 44 LYS CD C 13 28.465 0.30 . 1 . . . . A 592 LYS CD . 30296 1 504 . 1 1 44 44 LYS CE C 13 42.183 0.30 . 1 . . . . A 592 LYS CE . 30296 1 505 . 1 1 44 44 LYS N N 15 119.950 0.30 . 1 . . . . A 592 LYS N . 30296 1 506 . 1 1 45 45 LYS H H 1 7.930 0.03 . 1 . . . . A 593 LYS H . 30296 1 507 . 1 1 45 45 LYS HA H 1 3.834 0.03 . 1 . . . . A 593 LYS HA . 30296 1 508 . 1 1 45 45 LYS HB2 H 1 1.478 0.03 . 2 . . . . A 593 LYS HB2 . 30296 1 509 . 1 1 45 45 LYS HB3 H 1 1.536 0.03 . 2 . . . . A 593 LYS HB3 . 30296 1 510 . 1 1 45 45 LYS HG2 H 1 -0.281 0.03 . 2 . . . . A 593 LYS HG2 . 30296 1 511 . 1 1 45 45 LYS HG3 H 1 0.766 0.03 . 2 . . . . A 593 LYS HG3 . 30296 1 512 . 1 1 45 45 LYS HD2 H 1 0.816 0.03 . 2 . . . . A 593 LYS HD2 . 30296 1 513 . 1 1 45 45 LYS HD3 H 1 0.816 0.03 . 2 . . . . A 593 LYS HD3 . 30296 1 514 . 1 1 45 45 LYS HE2 H 1 1.561 0.03 . 2 . . . . A 593 LYS HE2 . 30296 1 515 . 1 1 45 45 LYS HE3 H 1 1.753 0.03 . 2 . . . . A 593 LYS HE3 . 30296 1 516 . 1 1 45 45 LYS C C 13 176.253 0.30 . 1 . . . . A 593 LYS C . 30296 1 517 . 1 1 45 45 LYS CA C 13 60.482 0.30 . 1 . . . . A 593 LYS CA . 30296 1 518 . 1 1 45 45 LYS CB C 13 32.302 0.30 . 1 . . . . A 593 LYS CB . 30296 1 519 . 1 1 45 45 LYS CG C 13 26.140 0.30 . 1 . . . . A 593 LYS CG . 30296 1 520 . 1 1 45 45 LYS CD C 13 28.794 0.30 . 1 . . . . A 593 LYS CD . 30296 1 521 . 1 1 45 45 LYS CE C 13 42.147 0.30 . 1 . . . . A 593 LYS CE . 30296 1 522 . 1 1 45 45 LYS N N 15 119.316 0.30 . 1 . . . . A 593 LYS N . 30296 1 523 . 1 1 46 46 GLU H H 1 8.031 0.03 . 1 . . . . A 594 GLU H . 30296 1 524 . 1 1 46 46 GLU HA H 1 4.105 0.03 . 1 . . . . A 594 GLU HA . 30296 1 525 . 1 1 46 46 GLU HB2 H 1 1.969 0.03 . 2 . . . . A 594 GLU HB2 . 30296 1 526 . 1 1 46 46 GLU HB3 H 1 2.102 0.03 . 2 . . . . A 594 GLU HB3 . 30296 1 527 . 1 1 46 46 GLU HG2 H 1 2.246 0.03 . 2 . . . . A 594 GLU HG2 . 30296 1 528 . 1 1 46 46 GLU HG3 H 1 2.467 0.03 . 2 . . . . A 594 GLU HG3 . 30296 1 529 . 1 1 46 46 GLU C C 13 175.965 0.30 . 1 . . . . A 594 GLU C . 30296 1 530 . 1 1 46 46 GLU CA C 13 59.487 0.30 . 1 . . . . A 594 GLU CA . 30296 1 531 . 1 1 46 46 GLU CB C 13 29.274 0.30 . 1 . . . . A 594 GLU CB . 30296 1 532 . 1 1 46 46 GLU CG C 13 36.729 0.30 . 1 . . . . A 594 GLU CG . 30296 1 533 . 1 1 46 46 GLU N N 15 119.052 0.30 . 1 . . . . A 594 GLU N . 30296 1 534 . 1 1 47 47 GLU H H 1 7.613 0.03 . 1 . . . . A 595 GLU H . 30296 1 535 . 1 1 47 47 GLU HA H 1 3.856 0.03 . 1 . . . . A 595 GLU HA . 30296 1 536 . 1 1 47 47 GLU HB2 H 1 1.691 0.03 . 2 . . . . A 595 GLU HB2 . 30296 1 537 . 1 1 47 47 GLU HB3 H 1 1.919 0.03 . 2 . . . . A 595 GLU HB3 . 30296 1 538 . 1 1 47 47 GLU HG2 H 1 1.572 0.03 . 2 . . . . A 595 GLU HG2 . 30296 1 539 . 1 1 47 47 GLU HG3 H 1 1.861 0.03 . 2 . . . . A 595 GLU HG3 . 30296 1 540 . 1 1 47 47 GLU C C 13 176.048 0.30 . 1 . . . . A 595 GLU C . 30296 1 541 . 1 1 47 47 GLU CA C 13 59.225 0.30 . 1 . . . . A 595 GLU CA . 30296 1 542 . 1 1 47 47 GLU CB C 13 29.286 0.30 . 1 . . . . A 595 GLU CB . 30296 1 543 . 1 1 47 47 GLU CG C 13 35.551 0.30 . 1 . . . . A 595 GLU CG . 30296 1 544 . 1 1 47 47 GLU N N 15 118.488 0.30 . 1 . . . . A 595 GLU N . 30296 1 545 . 1 1 48 48 TRP H H 1 7.390 0.03 . 1 . . . . A 596 TRP H . 30296 1 546 . 1 1 48 48 TRP HA H 1 4.345 0.03 . 1 . . . . A 596 TRP HA . 30296 1 547 . 1 1 48 48 TRP HB2 H 1 3.512 0.03 . 2 . . . . A 596 TRP HB2 . 30296 1 548 . 1 1 48 48 TRP HB3 H 1 3.850 0.03 . 2 . . . . A 596 TRP HB3 . 30296 1 549 . 1 1 48 48 TRP HD1 H 1 7.535 0.03 . 1 . . . . A 596 TRP HD1 . 30296 1 550 . 1 1 48 48 TRP HE1 H 1 10.526 0.03 . 1 . . . . A 596 TRP HE1 . 30296 1 551 . 1 1 48 48 TRP HE3 H 1 7.571 0.03 . 1 . . . . A 596 TRP HE3 . 30296 1 552 . 1 1 48 48 TRP HZ2 H 1 7.616 0.03 . 1 . . . . A 596 TRP HZ2 . 30296 1 553 . 1 1 48 48 TRP HZ3 H 1 6.955 0.03 . 1 . . . . A 596 TRP HZ3 . 30296 1 554 . 1 1 48 48 TRP HH2 H 1 7.082 0.03 . 1 . . . . A 596 TRP HH2 . 30296 1 555 . 1 1 48 48 TRP C C 13 175.271 0.30 . 1 . . . . A 596 TRP C . 30296 1 556 . 1 1 48 48 TRP CA C 13 59.987 0.30 . 1 . . . . A 596 TRP CA . 30296 1 557 . 1 1 48 48 TRP CB C 13 29.118 0.30 . 1 . . . . A 596 TRP CB . 30296 1 558 . 1 1 48 48 TRP N N 15 121.250 0.30 . 1 . . . . A 596 TRP N . 30296 1 559 . 1 1 48 48 TRP NE1 N 15 129.503 0.30 . 1 . . . . A 596 TRP NE1 . 30296 1 560 . 1 1 49 49 ASP H H 1 8.478 0.03 . 1 . . . . A 597 ASP H . 30296 1 561 . 1 1 49 49 ASP HA H 1 4.557 0.03 . 1 . . . . A 597 ASP HA . 30296 1 562 . 1 1 49 49 ASP HB2 H 1 2.718 0.03 . 2 . . . . A 597 ASP HB2 . 30296 1 563 . 1 1 49 49 ASP HB3 H 1 2.872 0.03 . 2 . . . . A 597 ASP HB3 . 30296 1 564 . 1 1 49 49 ASP C C 13 176.750 0.30 . 1 . . . . A 597 ASP C . 30296 1 565 . 1 1 49 49 ASP CA C 13 58.220 0.30 . 1 . . . . A 597 ASP CA . 30296 1 566 . 1 1 49 49 ASP CB C 13 40.717 0.30 . 1 . . . . A 597 ASP CB . 30296 1 567 . 1 1 49 49 ASP N N 15 122.473 0.30 . 1 . . . . A 597 ASP N . 30296 1 568 . 1 1 50 50 ARG H H 1 8.146 0.03 . 1 . . . . A 598 ARG H . 30296 1 569 . 1 1 50 50 ARG HA H 1 4.061 0.03 . 1 . . . . A 598 ARG HA . 30296 1 570 . 1 1 50 50 ARG HB2 H 1 1.873 0.03 . 2 . . . . A 598 ARG HB2 . 30296 1 571 . 1 1 50 50 ARG HB3 H 1 1.873 0.03 . 2 . . . . A 598 ARG HB3 . 30296 1 572 . 1 1 50 50 ARG HG2 H 1 1.604 0.03 . 2 . . . . A 598 ARG HG2 . 30296 1 573 . 1 1 50 50 ARG HG3 H 1 1.711 0.03 . 2 . . . . A 598 ARG HG3 . 30296 1 574 . 1 1 50 50 ARG HD2 H 1 3.149 0.03 . 2 . . . . A 598 ARG HD2 . 30296 1 575 . 1 1 50 50 ARG HD3 H 1 3.149 0.03 . 2 . . . . A 598 ARG HD3 . 30296 1 576 . 1 1 50 50 ARG C C 13 176.226 0.30 . 1 . . . . A 598 ARG C . 30296 1 577 . 1 1 50 50 ARG CA C 13 59.369 0.30 . 1 . . . . A 598 ARG CA . 30296 1 578 . 1 1 50 50 ARG CB C 13 29.779 0.30 . 1 . . . . A 598 ARG CB . 30296 1 579 . 1 1 50 50 ARG CG C 13 27.408 0.30 . 1 . . . . A 598 ARG CG . 30296 1 580 . 1 1 50 50 ARG CD C 13 43.245 0.30 . 1 . . . . A 598 ARG CD . 30296 1 581 . 1 1 50 50 ARG N N 15 120.266 0.30 . 1 . . . . A 598 ARG N . 30296 1 582 . 1 1 51 51 LYS H H 1 7.708 0.03 . 1 . . . . A 599 LYS H . 30296 1 583 . 1 1 51 51 LYS HA H 1 4.048 0.03 . 1 . . . . A 599 LYS HA . 30296 1 584 . 1 1 51 51 LYS HB2 H 1 1.880 0.03 . 2 . . . . A 599 LYS HB2 . 30296 1 585 . 1 1 51 51 LYS HB3 H 1 1.880 0.03 . 2 . . . . A 599 LYS HB3 . 30296 1 586 . 1 1 51 51 LYS HG2 H 1 1.330 0.03 . 2 . . . . A 599 LYS HG2 . 30296 1 587 . 1 1 51 51 LYS HG3 H 1 1.423 0.03 . 2 . . . . A 599 LYS HG3 . 30296 1 588 . 1 1 51 51 LYS HD2 H 1 0.958 0.03 . 2 . . . . A 599 LYS HD2 . 30296 1 589 . 1 1 51 51 LYS HD3 H 1 1.332 0.03 . 2 . . . . A 599 LYS HD3 . 30296 1 590 . 1 1 51 51 LYS HE2 H 1 2.424 0.03 . 2 . . . . A 599 LYS HE2 . 30296 1 591 . 1 1 51 51 LYS HE3 H 1 2.498 0.03 . 2 . . . . A 599 LYS HE3 . 30296 1 592 . 1 1 51 51 LYS C C 13 177.128 0.30 . 1 . . . . A 599 LYS C . 30296 1 593 . 1 1 51 51 LYS CA C 13 59.586 0.30 . 1 . . . . A 599 LYS CA . 30296 1 594 . 1 1 51 51 LYS CB C 13 32.656 0.30 . 1 . . . . A 599 LYS CB . 30296 1 595 . 1 1 51 51 LYS CG C 13 25.793 0.30 . 1 . . . . A 599 LYS CG . 30296 1 596 . 1 1 51 51 LYS CD C 13 29.347 0.30 . 1 . . . . A 599 LYS CD . 30296 1 597 . 1 1 51 51 LYS CE C 13 41.756 0.30 . 1 . . . . A 599 LYS CE . 30296 1 598 . 1 1 51 51 LYS N N 15 119.082 0.30 . 1 . . . . A 599 LYS N . 30296 1 599 . 1 1 52 52 ALA H H 1 8.528 0.03 . 1 . . . . A 600 ALA H . 30296 1 600 . 1 1 52 52 ALA HA H 1 4.094 0.03 . 1 . . . . A 600 ALA HA . 30296 1 601 . 1 1 52 52 ALA HB1 H 1 1.546 0.03 . 1 . . . . A 600 ALA HB1 . 30296 1 602 . 1 1 52 52 ALA HB2 H 1 1.546 0.03 . 1 . . . . A 600 ALA HB2 . 30296 1 603 . 1 1 52 52 ALA HB3 H 1 1.546 0.03 . 1 . . . . A 600 ALA HB3 . 30296 1 604 . 1 1 52 52 ALA C C 13 177.182 0.30 . 1 . . . . A 600 ALA C . 30296 1 605 . 1 1 52 52 ALA CA C 13 55.186 0.30 . 1 . . . . A 600 ALA CA . 30296 1 606 . 1 1 52 52 ALA CB C 13 17.569 0.30 . 1 . . . . A 600 ALA CB . 30296 1 607 . 1 1 52 52 ALA N N 15 123.516 0.30 . 1 . . . . A 600 ALA N . 30296 1 608 . 1 1 53 53 GLU H H 1 8.116 0.03 . 1 . . . . A 601 GLU H . 30296 1 609 . 1 1 53 53 GLU HA H 1 4.089 0.03 . 1 . . . . A 601 GLU HA . 30296 1 610 . 1 1 53 53 GLU HB2 H 1 2.056 0.03 . 2 . . . . A 601 GLU HB2 . 30296 1 611 . 1 1 53 53 GLU HB3 H 1 2.161 0.03 . 2 . . . . A 601 GLU HB3 . 30296 1 612 . 1 1 53 53 GLU HG2 H 1 2.309 0.03 . 2 . . . . A 601 GLU HG2 . 30296 1 613 . 1 1 53 53 GLU HG3 H 1 2.309 0.03 . 2 . . . . A 601 GLU HG3 . 30296 1 614 . 1 1 53 53 GLU C C 13 176.325 0.30 . 1 . . . . A 601 GLU C . 30296 1 615 . 1 1 53 53 GLU CA C 13 59.053 0.30 . 1 . . . . A 601 GLU CA . 30296 1 616 . 1 1 53 53 GLU CB C 13 29.133 0.30 . 1 . . . . A 601 GLU CB . 30296 1 617 . 1 1 53 53 GLU CG C 13 35.886 0.30 . 1 . . . . A 601 GLU CG . 30296 1 618 . 1 1 53 53 GLU N N 15 121.235 0.30 . 1 . . . . A 601 GLU N . 30296 1 619 . 1 1 54 54 ASP H H 1 8.287 0.03 . 1 . . . . A 602 ASP H . 30296 1 620 . 1 1 54 54 ASP HA H 1 4.294 0.03 . 1 . . . . A 602 ASP HA . 30296 1 621 . 1 1 54 54 ASP HB2 H 1 2.653 0.03 . 2 . . . . A 602 ASP HB2 . 30296 1 622 . 1 1 54 54 ASP HB3 H 1 2.701 0.03 . 2 . . . . A 602 ASP HB3 . 30296 1 623 . 1 1 54 54 ASP C C 13 175.457 0.30 . 1 . . . . A 602 ASP C . 30296 1 624 . 1 1 54 54 ASP CA C 13 57.204 0.30 . 1 . . . . A 602 ASP CA . 30296 1 625 . 1 1 54 54 ASP CB C 13 40.018 0.30 . 1 . . . . A 602 ASP CB . 30296 1 626 . 1 1 54 54 ASP N N 15 120.916 0.30 . 1 . . . . A 602 ASP N . 30296 1 627 . 1 1 55 55 ALA H H 1 7.969 0.03 . 1 . . . . A 603 ALA H . 30296 1 628 . 1 1 55 55 ALA HA H 1 4.173 0.03 . 1 . . . . A 603 ALA HA . 30296 1 629 . 1 1 55 55 ALA HB1 H 1 1.524 0.03 . 1 . . . . A 603 ALA HB1 . 30296 1 630 . 1 1 55 55 ALA HB2 H 1 1.524 0.03 . 1 . . . . A 603 ALA HB2 . 30296 1 631 . 1 1 55 55 ALA HB3 H 1 1.524 0.03 . 1 . . . . A 603 ALA HB3 . 30296 1 632 . 1 1 55 55 ALA C C 13 177.765 0.30 . 1 . . . . A 603 ALA C . 30296 1 633 . 1 1 55 55 ALA CA C 13 54.744 0.30 . 1 . . . . A 603 ALA CA . 30296 1 634 . 1 1 55 55 ALA CB C 13 17.921 0.30 . 1 . . . . A 603 ALA CB . 30296 1 635 . 1 1 55 55 ALA N N 15 121.551 0.30 . 1 . . . . A 603 ALA N . 30296 1 636 . 1 1 56 56 ARG H H 1 8.056 0.03 . 1 . . . . A 604 ARG H . 30296 1 637 . 1 1 56 56 ARG HA H 1 3.934 0.03 . 1 . . . . A 604 ARG HA . 30296 1 638 . 1 1 56 56 ARG HB2 H 1 1.832 0.03 . 2 . . . . A 604 ARG HB2 . 30296 1 639 . 1 1 56 56 ARG HB3 H 1 1.954 0.03 . 2 . . . . A 604 ARG HB3 . 30296 1 640 . 1 1 56 56 ARG HG2 H 1 1.433 0.03 . 2 . . . . A 604 ARG HG2 . 30296 1 641 . 1 1 56 56 ARG HG3 H 1 1.515 0.03 . 2 . . . . A 604 ARG HG3 . 30296 1 642 . 1 1 56 56 ARG HD2 H 1 3.077 0.03 . 2 . . . . A 604 ARG HD2 . 30296 1 643 . 1 1 56 56 ARG HD3 H 1 3.077 0.03 . 2 . . . . A 604 ARG HD3 . 30296 1 644 . 1 1 56 56 ARG C C 13 175.543 0.30 . 1 . . . . A 604 ARG C . 30296 1 645 . 1 1 56 56 ARG CA C 13 59.508 0.30 . 1 . . . . A 604 ARG CA . 30296 1 646 . 1 1 56 56 ARG CB C 13 29.799 0.30 . 1 . . . . A 604 ARG CB . 30296 1 647 . 1 1 56 56 ARG CG C 13 27.221 0.30 . 1 . . . . A 604 ARG CG . 30296 1 648 . 1 1 56 56 ARG N N 15 120.331 0.30 . 1 . . . . A 604 ARG N . 30296 1 649 . 1 1 57 57 ARG H H 1 8.109 0.03 . 1 . . . . A 605 ARG H . 30296 1 650 . 1 1 57 57 ARG HA H 1 3.998 0.03 . 1 . . . . A 605 ARG HA . 30296 1 651 . 1 1 57 57 ARG HB2 H 1 1.893 0.03 . 2 . . . . A 605 ARG HB2 . 30296 1 652 . 1 1 57 57 ARG HB3 H 1 1.954 0.03 . 2 . . . . A 605 ARG HB3 . 30296 1 653 . 1 1 57 57 ARG HG2 H 1 1.523 0.03 . 2 . . . . A 605 ARG HG2 . 30296 1 654 . 1 1 57 57 ARG HG3 H 1 1.774 0.03 . 2 . . . . A 605 ARG HG3 . 30296 1 655 . 1 1 57 57 ARG HD2 H 1 3.180 0.03 . 2 . . . . A 605 ARG HD2 . 30296 1 656 . 1 1 57 57 ARG HD3 H 1 3.180 0.03 . 2 . . . . A 605 ARG HD3 . 30296 1 657 . 1 1 57 57 ARG C C 13 176.649 0.30 . 1 . . . . A 605 ARG C . 30296 1 658 . 1 1 57 57 ARG CA C 13 59.253 0.30 . 1 . . . . A 605 ARG CA . 30296 1 659 . 1 1 57 57 ARG CB C 13 29.925 0.30 . 1 . . . . A 605 ARG CB . 30296 1 660 . 1 1 57 57 ARG CG C 13 27.691 0.30 . 1 . . . . A 605 ARG CG . 30296 1 661 . 1 1 57 57 ARG CD C 13 43.220 0.30 . 1 . . . . A 605 ARG CD . 30296 1 662 . 1 1 57 57 ARG N N 15 119.874 0.30 . 1 . . . . A 605 ARG N . 30296 1 663 . 1 1 58 58 ASP H H 1 8.228 0.03 . 1 . . . . A 606 ASP H . 30296 1 664 . 1 1 58 58 ASP HA H 1 4.378 0.03 . 1 . . . . A 606 ASP HA . 30296 1 665 . 1 1 58 58 ASP HB2 H 1 2.625 0.03 . 2 . . . . A 606 ASP HB2 . 30296 1 666 . 1 1 58 58 ASP HB3 H 1 2.712 0.03 . 2 . . . . A 606 ASP HB3 . 30296 1 667 . 1 1 58 58 ASP C C 13 175.744 0.30 . 1 . . . . A 606 ASP C . 30296 1 668 . 1 1 58 58 ASP CA C 13 57.022 0.30 . 1 . . . . A 606 ASP CA . 30296 1 669 . 1 1 58 58 ASP CB C 13 40.304 0.30 . 1 . . . . A 606 ASP CB . 30296 1 670 . 1 1 58 58 ASP N N 15 120.190 0.30 . 1 . . . . A 606 ASP N . 30296 1 671 . 1 1 59 59 TYR H H 1 8.083 0.03 . 1 . . . . A 607 TYR H . 30296 1 672 . 1 1 59 59 TYR HA H 1 4.162 0.03 . 1 . . . . A 607 TYR HA . 30296 1 673 . 1 1 59 59 TYR HB2 H 1 3.076 0.03 . 2 . . . . A 607 TYR HB2 . 30296 1 674 . 1 1 59 59 TYR HB3 H 1 3.118 0.03 . 2 . . . . A 607 TYR HB3 . 30296 1 675 . 1 1 59 59 TYR HD1 H 1 6.956 0.03 . 3 . . . . A 607 TYR HD1 . 30296 1 676 . 1 1 59 59 TYR HD2 H 1 6.956 0.03 . 3 . . . . A 607 TYR HD2 . 30296 1 677 . 1 1 59 59 TYR C C 13 174.303 0.30 . 1 . . . . A 607 TYR C . 30296 1 678 . 1 1 59 59 TYR CA C 13 60.954 0.30 . 1 . . . . A 607 TYR CA . 30296 1 679 . 1 1 59 59 TYR CB C 13 38.383 0.30 . 1 . . . . A 607 TYR CB . 30296 1 680 . 1 1 59 59 TYR N N 15 122.628 0.30 . 1 . . . . A 607 TYR N . 30296 1 681 . 1 1 60 60 GLU H H 1 8.366 0.03 . 1 . . . . A 608 GLU H . 30296 1 682 . 1 1 60 60 GLU HA H 1 3.733 0.03 . 1 . . . . A 608 GLU HA . 30296 1 683 . 1 1 60 60 GLU HB2 H 1 1.978 0.03 . 2 . . . . A 608 GLU HB2 . 30296 1 684 . 1 1 60 60 GLU HB3 H 1 2.060 0.03 . 2 . . . . A 608 GLU HB3 . 30296 1 685 . 1 1 60 60 GLU HG2 H 1 2.242 0.03 . 2 . . . . A 608 GLU HG2 . 30296 1 686 . 1 1 60 60 GLU HG3 H 1 2.499 0.03 . 2 . . . . A 608 GLU HG3 . 30296 1 687 . 1 1 60 60 GLU C C 13 176.454 0.30 . 1 . . . . A 608 GLU C . 30296 1 688 . 1 1 60 60 GLU CA C 13 59.120 0.30 . 1 . . . . A 608 GLU CA . 30296 1 689 . 1 1 60 60 GLU CB C 13 29.335 0.30 . 1 . . . . A 608 GLU CB . 30296 1 690 . 1 1 60 60 GLU CG C 13 36.810 0.30 . 1 . . . . A 608 GLU CG . 30296 1 691 . 1 1 60 60 GLU N N 15 118.822 0.30 . 1 . . . . A 608 GLU N . 30296 1 692 . 1 1 61 61 LYS H H 1 7.869 0.03 . 1 . . . . A 609 LYS H . 30296 1 693 . 1 1 61 61 LYS HA H 1 3.940 0.03 . 1 . . . . A 609 LYS HA . 30296 1 694 . 1 1 61 61 LYS HB2 H 1 1.821 0.03 . 2 . . . . A 609 LYS HB2 . 30296 1 695 . 1 1 61 61 LYS HB3 H 1 1.821 0.03 . 2 . . . . A 609 LYS HB3 . 30296 1 696 . 1 1 61 61 LYS HG2 H 1 1.348 0.03 . 2 . . . . A 609 LYS HG2 . 30296 1 697 . 1 1 61 61 LYS HG3 H 1 1.447 0.03 . 2 . . . . A 609 LYS HG3 . 30296 1 698 . 1 1 61 61 LYS HD2 H 1 1.612 0.03 . 2 . . . . A 609 LYS HD2 . 30296 1 699 . 1 1 61 61 LYS HD3 H 1 1.612 0.03 . 2 . . . . A 609 LYS HD3 . 30296 1 700 . 1 1 61 61 LYS C C 13 175.476 0.30 . 1 . . . . A 609 LYS C . 30296 1 701 . 1 1 61 61 LYS CA C 13 58.862 0.30 . 1 . . . . A 609 LYS CA . 30296 1 702 . 1 1 61 61 LYS CB C 13 32.485 0.30 . 1 . . . . A 609 LYS CB . 30296 1 703 . 1 1 61 61 LYS CG C 13 24.859 0.30 . 1 . . . . A 609 LYS CG . 30296 1 704 . 1 1 61 61 LYS CD C 13 29.354 0.30 . 1 . . . . A 609 LYS CD . 30296 1 705 . 1 1 61 61 LYS N N 15 119.218 0.30 . 1 . . . . A 609 LYS N . 30296 1 706 . 1 1 62 62 ALA H H 1 7.741 0.03 . 1 . . . . A 610 ALA H . 30296 1 707 . 1 1 62 62 ALA HA H 1 4.053 0.03 . 1 . . . . A 610 ALA HA . 30296 1 708 . 1 1 62 62 ALA HB1 H 1 1.306 0.03 . 1 . . . . A 610 ALA HB1 . 30296 1 709 . 1 1 62 62 ALA HB2 H 1 1.306 0.03 . 1 . . . . A 610 ALA HB2 . 30296 1 710 . 1 1 62 62 ALA HB3 H 1 1.306 0.03 . 1 . . . . A 610 ALA HB3 . 30296 1 711 . 1 1 62 62 ALA C C 13 176.983 0.30 . 1 . . . . A 610 ALA C . 30296 1 712 . 1 1 62 62 ALA CA C 13 54.050 0.30 . 1 . . . . A 610 ALA CA . 30296 1 713 . 1 1 62 62 ALA CB C 13 18.250 0.30 . 1 . . . . A 610 ALA CB . 30296 1 714 . 1 1 62 62 ALA N N 15 121.917 0.30 . 1 . . . . A 610 ALA N . 30296 1 715 . 1 1 63 63 MET H H 1 7.911 0.03 . 1 . . . . A 611 MET H . 30296 1 716 . 1 1 63 63 MET HA H 1 4.208 0.03 . 1 . . . . A 611 MET HA . 30296 1 717 . 1 1 63 63 MET HB2 H 1 2.017 0.03 . 2 . . . . A 611 MET HB2 . 30296 1 718 . 1 1 63 63 MET HB3 H 1 2.198 0.03 . 2 . . . . A 611 MET HB3 . 30296 1 719 . 1 1 63 63 MET HG2 H 1 1.812 0.03 . 2 . . . . A 611 MET HG2 . 30296 1 720 . 1 1 63 63 MET HG3 H 1 1.812 0.03 . 2 . . . . A 611 MET HG3 . 30296 1 721 . 1 1 63 63 MET HE1 H 1 1.804 0.03 . 1 . . . . A 611 MET HE1 . 30296 1 722 . 1 1 63 63 MET HE2 H 1 1.804 0.03 . 1 . . . . A 611 MET HE2 . 30296 1 723 . 1 1 63 63 MET HE3 H 1 1.804 0.03 . 1 . . . . A 611 MET HE3 . 30296 1 724 . 1 1 63 63 MET C C 13 175.168 0.30 . 1 . . . . A 611 MET C . 30296 1 725 . 1 1 63 63 MET CA C 13 56.311 0.30 . 1 . . . . A 611 MET CA . 30296 1 726 . 1 1 63 63 MET CB C 13 31.897 0.30 . 1 . . . . A 611 MET CB . 30296 1 727 . 1 1 63 63 MET CG C 13 32.016 0.30 . 1 . . . . A 611 MET CG . 30296 1 728 . 1 1 63 63 MET CE C 13 17.118 0.30 . 1 . . . . A 611 MET CE . 30296 1 729 . 1 1 63 63 MET N N 15 116.565 0.30 . 1 . . . . A 611 MET N . 30296 1 730 . 1 1 64 64 LYS H H 1 7.694 0.03 . 1 . . . . A 612 LYS H . 30296 1 731 . 1 1 64 64 LYS HA H 1 4.065 0.03 . 1 . . . . A 612 LYS HA . 30296 1 732 . 1 1 64 64 LYS HB2 H 1 1.773 0.03 . 2 . . . . A 612 LYS HB2 . 30296 1 733 . 1 1 64 64 LYS HB3 H 1 1.773 0.03 . 2 . . . . A 612 LYS HB3 . 30296 1 734 . 1 1 64 64 LYS HG2 H 1 1.331 0.03 . 2 . . . . A 612 LYS HG2 . 30296 1 735 . 1 1 64 64 LYS HG3 H 1 1.393 0.03 . 2 . . . . A 612 LYS HG3 . 30296 1 736 . 1 1 64 64 LYS HD2 H 1 1.577 0.03 . 2 . . . . A 612 LYS HD2 . 30296 1 737 . 1 1 64 64 LYS HD3 H 1 1.577 0.03 . 2 . . . . A 612 LYS HD3 . 30296 1 738 . 1 1 64 64 LYS HE2 H 1 2.857 0.03 . 2 . . . . A 612 LYS HE2 . 30296 1 739 . 1 1 64 64 LYS HE3 H 1 2.857 0.03 . 2 . . . . A 612 LYS HE3 . 30296 1 740 . 1 1 64 64 LYS C C 13 175.135 0.30 . 1 . . . . A 612 LYS C . 30296 1 741 . 1 1 64 64 LYS CA C 13 57.640 0.30 . 1 . . . . A 612 LYS CA . 30296 1 742 . 1 1 64 64 LYS CB C 13 32.367 0.30 . 1 . . . . A 612 LYS CB . 30296 1 743 . 1 1 64 64 LYS CG C 13 24.801 0.30 . 1 . . . . A 612 LYS CG . 30296 1 744 . 1 1 64 64 LYS CD C 13 28.923 0.30 . 1 . . . . A 612 LYS CD . 30296 1 745 . 1 1 64 64 LYS CE C 13 42.038 0.30 . 1 . . . . A 612 LYS CE . 30296 1 746 . 1 1 64 64 LYS N N 15 120.146 0.30 . 1 . . . . A 612 LYS N . 30296 1 747 . 1 1 65 65 GLU H H 1 7.876 0.03 . 1 . . . . A 613 GLU H . 30296 1 748 . 1 1 65 65 GLU HA H 1 4.045 0.03 . 1 . . . . A 613 GLU HA . 30296 1 749 . 1 1 65 65 GLU HB2 H 1 1.838 0.03 . 2 . . . . A 613 GLU HB2 . 30296 1 750 . 1 1 65 65 GLU HB3 H 1 1.838 0.03 . 2 . . . . A 613 GLU HB3 . 30296 1 751 . 1 1 65 65 GLU HG2 H 1 2.046 0.03 . 2 . . . . A 613 GLU HG2 . 30296 1 752 . 1 1 65 65 GLU HG3 H 1 2.173 0.03 . 2 . . . . A 613 GLU HG3 . 30296 1 753 . 1 1 65 65 GLU C C 13 174.308 0.30 . 1 . . . . A 613 GLU C . 30296 1 754 . 1 1 65 65 GLU CA C 13 57.333 0.30 . 1 . . . . A 613 GLU CA . 30296 1 755 . 1 1 65 65 GLU CB C 13 29.698 0.30 . 1 . . . . A 613 GLU CB . 30296 1 756 . 1 1 65 65 GLU CG C 13 36.130 0.30 . 1 . . . . A 613 GLU CG . 30296 1 757 . 1 1 65 65 GLU N N 15 119.170 0.30 . 1 . . . . A 613 GLU N . 30296 1 758 . 1 1 66 66 TYR H H 1 7.829 0.03 . 1 . . . . A 614 TYR H . 30296 1 759 . 1 1 66 66 TYR HA H 1 4.388 0.03 . 1 . . . . A 614 TYR HA . 30296 1 760 . 1 1 66 66 TYR HB2 H 1 2.915 0.03 . 2 . . . . A 614 TYR HB2 . 30296 1 761 . 1 1 66 66 TYR HB3 H 1 2.981 0.03 . 2 . . . . A 614 TYR HB3 . 30296 1 762 . 1 1 66 66 TYR HD1 H 1 7.012 0.03 . 3 . . . . A 614 TYR HD1 . 30296 1 763 . 1 1 66 66 TYR HD2 H 1 7.012 0.03 . 3 . . . . A 614 TYR HD2 . 30296 1 764 . 1 1 66 66 TYR C C 13 173.542 0.30 . 1 . . . . A 614 TYR C . 30296 1 765 . 1 1 66 66 TYR CA C 13 58.523 0.30 . 1 . . . . A 614 TYR CA . 30296 1 766 . 1 1 66 66 TYR CB C 13 38.642 0.30 . 1 . . . . A 614 TYR CB . 30296 1 767 . 1 1 66 66 TYR N N 15 119.519 0.30 . 1 . . . . A 614 TYR N . 30296 1 768 . 1 1 67 67 GLU H H 1 8.078 0.03 . 1 . . . . A 615 GLU H . 30296 1 769 . 1 1 67 67 GLU HA H 1 4.151 0.03 . 1 . . . . A 615 GLU HA . 30296 1 770 . 1 1 67 67 GLU HB2 H 1 1.854 0.03 . 2 . . . . A 615 GLU HB2 . 30296 1 771 . 1 1 67 67 GLU HB3 H 1 1.978 0.03 . 2 . . . . A 615 GLU HB3 . 30296 1 772 . 1 1 67 67 GLU HG2 H 1 2.129 0.03 . 2 . . . . A 615 GLU HG2 . 30296 1 773 . 1 1 67 67 GLU HG3 H 1 2.211 0.03 . 2 . . . . A 615 GLU HG3 . 30296 1 774 . 1 1 67 67 GLU C C 13 173.927 0.30 . 1 . . . . A 615 GLU C . 30296 1 775 . 1 1 67 67 GLU CA C 13 56.605 0.30 . 1 . . . . A 615 GLU CA . 30296 1 776 . 1 1 67 67 GLU CB C 13 30.282 0.30 . 1 . . . . A 615 GLU CB . 30296 1 777 . 1 1 67 67 GLU CG C 13 36.306 0.30 . 1 . . . . A 615 GLU CG . 30296 1 778 . 1 1 67 67 GLU N N 15 121.638 0.30 . 1 . . . . A 615 GLU N . 30296 1 779 . 1 1 68 68 GLY H H 1 7.695 0.03 . 1 . . . . A 616 GLY H . 30296 1 780 . 1 1 68 68 GLY HA2 H 1 3.853 0.03 . 2 . . . . A 616 GLY HA2 . 30296 1 781 . 1 1 68 68 GLY HA3 H 1 3.792 0.03 . 2 . . . . A 616 GLY HA3 . 30296 1 782 . 1 1 68 68 GLY C C 13 170.909 0.30 . 1 . . . . A 616 GLY C . 30296 1 783 . 1 1 68 68 GLY CA C 13 45.317 0.30 . 1 . . . . A 616 GLY CA . 30296 1 784 . 1 1 68 68 GLY N N 15 108.934 0.30 . 1 . . . . A 616 GLY N . 30296 1 785 . 1 1 69 69 GLY H H 1 7.883 0.03 . 1 . . . . A 617 GLY H . 30296 1 786 . 1 1 69 69 GLY HA2 H 1 3.669 0.03 . 2 . . . . A 617 GLY HA2 . 30296 1 787 . 1 1 69 69 GLY HA3 H 1 3.669 0.03 . 2 . . . . A 617 GLY HA3 . 30296 1 788 . 1 1 69 69 GLY C C 13 176.381 0.30 . 1 . . . . A 617 GLY C . 30296 1 789 . 1 1 69 69 GLY CA C 13 45.930 0.30 . 1 . . . . A 617 GLY CA . 30296 1 790 . 1 1 69 69 GLY N N 15 114.778 0.30 . 1 . . . . A 617 GLY N . 30296 1 stop_ save_