data_19317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19317 _Entry.Title ; Solution structure of HRDC1 domain of RecQ helicase from Deinococcus radiodurans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-24 _Entry.Accession_date 2013-06-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shanshan Liu . . . 19317 2 Wen Zhang . . . 19317 3 Zengqiang Gao . . . 19317 4 Qianqian Ming . . . 19317 5 Haifeng Hou . . . 19317 6 Wenxian Lan . . . 19317 7 Houming Wu . . . 19317 8 Chunyang Cao . . . 19317 9 Yuhui Dong . . . 19317 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19317 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding domain' . 19317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 19317 '15N chemical shifts' 70 19317 '1H chemical shifts' 511 19317 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-10-09 2013-06-24 update BMRB 'update entry citation' 19317 1 . . 2013-07-08 2013-06-24 original author 'original release' 19317 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MA1 'BMRB Entry Tracking System' 19317 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19317 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23831579 _Citation.Full_citation . _Citation.Title 'NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 587 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2635 _Citation.Page_last 2642 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shanshan Liu . . . 19317 1 2 Wen Zhang . . . 19317 1 3 Zengqiang Gao . . . 19317 1 4 Qianqian Ming . . . 19317 1 5 Haifeng Hou . . . 19317 1 6 Wenxian Lan . . . 19317 1 7 Houming Wu . . . 19317 1 8 Chunyang Cao . . . 19317 1 9 Yuhui Dong . . . 19317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19317 _Assembly.ID 1 _Assembly.Name 'DNA helicase RecQ' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DNA helicase RecQ' 1 $DNA_helicase_RecQ A . yes native no no . . . 19317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_helicase_RecQ _Entity.Sf_category entity _Entity.Sf_framecode DNA_helicase_RecQ _Entity.Entry_ID 19317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_helicase_RecQ _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 ; HDAPLFEALRAWRLQKAKEL SLPPYTIFHDATLKTIAELR PGSHATLGTVSGVGGRKLAA YGDEVLQVVRDSSGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8054.224 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18124 . D._radiodurans_RecQ . . . . . 100.00 75 100.00 100.00 1.61e-45 . . . . 19317 1 2 no PDB 2MA1 . "Solution Structure Of Hrdc1 Domain Of Recq Helicase From Deinococcus Radiodurans" . . . . . 100.00 75 100.00 100.00 1.61e-45 . . . . 19317 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 1 536 HIS . 19317 1 2 537 ASP . 19317 1 3 538 ALA . 19317 1 4 539 PRO . 19317 1 5 540 LEU . 19317 1 6 541 PHE . 19317 1 7 542 GLU . 19317 1 8 543 ALA . 19317 1 9 544 LEU . 19317 1 10 545 ARG . 19317 1 11 546 ALA . 19317 1 12 547 TRP . 19317 1 13 548 ARG . 19317 1 14 549 LEU . 19317 1 15 550 GLN . 19317 1 16 551 LYS . 19317 1 17 552 ALA . 19317 1 18 553 LYS . 19317 1 19 554 GLU . 19317 1 20 555 LEU . 19317 1 21 556 SER . 19317 1 22 557 LEU . 19317 1 23 558 PRO . 19317 1 24 559 PRO . 19317 1 25 560 TYR . 19317 1 26 561 THR . 19317 1 27 562 ILE . 19317 1 28 563 PHE . 19317 1 29 564 HIS . 19317 1 30 565 ASP . 19317 1 31 566 ALA . 19317 1 32 567 THR . 19317 1 33 568 LEU . 19317 1 34 569 LYS . 19317 1 35 570 THR . 19317 1 36 571 ILE . 19317 1 37 572 ALA . 19317 1 38 573 GLU . 19317 1 39 574 LEU . 19317 1 40 575 ARG . 19317 1 41 576 PRO . 19317 1 42 577 GLY . 19317 1 43 578 SER . 19317 1 44 579 HIS . 19317 1 45 580 ALA . 19317 1 46 581 THR . 19317 1 47 582 LEU . 19317 1 48 583 GLY . 19317 1 49 584 THR . 19317 1 50 585 VAL . 19317 1 51 586 SER . 19317 1 52 587 GLY . 19317 1 53 588 VAL . 19317 1 54 589 GLY . 19317 1 55 590 GLY . 19317 1 56 591 ARG . 19317 1 57 592 LYS . 19317 1 58 593 LEU . 19317 1 59 594 ALA . 19317 1 60 595 ALA . 19317 1 61 596 TYR . 19317 1 62 597 GLY . 19317 1 63 598 ASP . 19317 1 64 599 GLU . 19317 1 65 600 VAL . 19317 1 66 601 LEU . 19317 1 67 602 GLN . 19317 1 68 603 VAL . 19317 1 69 604 VAL . 19317 1 70 605 ARG . 19317 1 71 606 ASP . 19317 1 72 607 SER . 19317 1 73 608 SER . 19317 1 74 609 GLY . 19317 1 75 610 GLY . 19317 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 . HIS 1 1 19317 1 . ASP 2 2 19317 1 . ALA 3 3 19317 1 . PRO 4 4 19317 1 . LEU 5 5 19317 1 . PHE 6 6 19317 1 . GLU 7 7 19317 1 . ALA 8 8 19317 1 . LEU 9 9 19317 1 . ARG 10 10 19317 1 . ALA 11 11 19317 1 . TRP 12 12 19317 1 . ARG 13 13 19317 1 . LEU 14 14 19317 1 . GLN 15 15 19317 1 . LYS 16 16 19317 1 . ALA 17 17 19317 1 . LYS 18 18 19317 1 . GLU 19 19 19317 1 . LEU 20 20 19317 1 . SER 21 21 19317 1 . LEU 22 22 19317 1 . PRO 23 23 19317 1 . PRO 24 24 19317 1 . TYR 25 25 19317 1 . THR 26 26 19317 1 . ILE 27 27 19317 1 . PHE 28 28 19317 1 . HIS 29 29 19317 1 . ASP 30 30 19317 1 . ALA 31 31 19317 1 . THR 32 32 19317 1 . LEU 33 33 19317 1 . LYS 34 34 19317 1 . THR 35 35 19317 1 . ILE 36 36 19317 1 . ALA 37 37 19317 1 . GLU 38 38 19317 1 . LEU 39 39 19317 1 . ARG 40 40 19317 1 . PRO 41 41 19317 1 . GLY 42 42 19317 1 . SER 43 43 19317 1 . HIS 44 44 19317 1 . ALA 45 45 19317 1 . THR 46 46 19317 1 . LEU 47 47 19317 1 . GLY 48 48 19317 1 . THR 49 49 19317 1 . VAL 50 50 19317 1 . SER 51 51 19317 1 . GLY 52 52 19317 1 . VAL 53 53 19317 1 . GLY 54 54 19317 1 . GLY 55 55 19317 1 . ARG 56 56 19317 1 . LYS 57 57 19317 1 . LEU 58 58 19317 1 . ALA 59 59 19317 1 . ALA 60 60 19317 1 . TYR 61 61 19317 1 . GLY 62 62 19317 1 . ASP 63 63 19317 1 . GLU 64 64 19317 1 . VAL 65 65 19317 1 . LEU 66 66 19317 1 . GLN 67 67 19317 1 . VAL 68 68 19317 1 . VAL 69 69 19317 1 . ARG 70 70 19317 1 . ASP 71 71 19317 1 . SER 72 72 19317 1 . SER 73 73 19317 1 . GLY 74 74 19317 1 . GLY 75 75 19317 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 19317 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_helicase_RecQ . 1299 organism . 'Deinococcus radiodurans' 'Deinococcus radiodurans' . . Bacteria . Deinococcus radiodurans . . . . . . . . . . . . . . . . DrRecQ . . . . 19317 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 19317 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_helicase_RecQ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 19317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 19317 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer; 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 HRDC1 '[U-98% 13C; U-98% 15N]' . . 1 $DNA_helicase_RecQ . . 2 . . mM . . . . 19317 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19317 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 19317 _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 19317 1 pH 7.0 . pH 19317 1 pressure 1 . atm 19317 1 temperature 293 . K 19317 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19317 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19317 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19317 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19317 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . 1 $citations 19317 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 19317 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19317 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19317 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19317 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19317 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19317 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19317 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19317 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '3D 1H-15N NOESY' . . . 19317 1 2 '3D 1H-13C NOESY aliphatic' . . . 19317 1 3 '3D 1H-13C NOESY aromatic' . . . 19317 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 HIS HA H 1 4.133 . . 1 . . . A 536 HIS HA . 19317 1 2 . 1 1 1 1 HIS HB2 H 1 2.852 . . . . . . A 536 HIS HB2 . 19317 1 3 . 1 1 1 1 HIS HB3 H 1 3.101 . . 2 . . . A 536 HIS HB3 . 19317 1 4 . 1 1 1 1 HIS HD2 H 1 6.843 . . 1 . . . A 536 HIS HD2 . 19317 1 5 . 1 1 1 1 HIS C C 13 177.493 . . . . . . A 536 HIS C . 19317 1 6 . 1 1 1 1 HIS CA C 13 54.947 . . 1 . . . A 536 HIS CA . 19317 1 7 . 1 1 1 1 HIS CB C 13 31.549 . . 1 . . . A 536 HIS CB . 19317 1 8 . 1 1 1 1 HIS CD2 C 13 118.655 . . 1 . . . A 536 HIS CD2 . 19317 1 9 . 1 1 2 2 ASP H H 1 8.873 . . 1 . . . A 537 ASP HN . 19317 1 10 . 1 1 2 2 ASP HA H 1 4.382 . . 1 . . . A 537 ASP HA . 19317 1 11 . 1 1 2 2 ASP HB2 H 1 2.599 . . . . . . A 537 ASP HB2 . 19317 1 12 . 1 1 2 2 ASP HB3 H 1 2.321 . . 2 . . . A 537 ASP HB3 . 19317 1 13 . 1 1 2 2 ASP C C 13 176.166 . . . . . . A 537 ASP C . 19317 1 14 . 1 1 2 2 ASP CA C 13 53.771 . . 1 . . . A 537 ASP CA . 19317 1 15 . 1 1 2 2 ASP CB C 13 40.956 . . 1 . . . A 537 ASP CB . 19317 1 16 . 1 1 2 2 ASP N N 15 121.532 . . 1 . . . A 537 ASP N . 19317 1 17 . 1 1 3 3 ALA H H 1 7.941 . . 1 . . . A 538 ALA HN . 19317 1 18 . 1 1 3 3 ALA HA H 1 4.485 . . 1 . . . A 538 ALA HA . 19317 1 19 . 1 1 3 3 ALA HB1 H 1 1.500 . . 1 . . . A 538 ALA HB1 . 19317 1 20 . 1 1 3 3 ALA HB2 H 1 1.500 . . 1 . . . A 538 ALA HB2 . 19317 1 21 . 1 1 3 3 ALA HB3 H 1 1.500 . . 1 . . . A 538 ALA HB3 . 19317 1 22 . 1 1 3 3 ALA CA C 13 54.380 . . 1 . . . A 538 ALA CA . 19317 1 23 . 1 1 3 3 ALA CB C 13 17.051 . . 1 . . . A 538 ALA CB . 19317 1 24 . 1 1 3 3 ALA N N 15 124.230 . . 1 . . . A 538 ALA N . 19317 1 25 . 1 1 4 4 PRO HA H 1 4.396 . . 1 . . . A 539 PRO HA . 19317 1 26 . 1 1 4 4 PRO HB2 H 1 2.382 . . 2 . . . A 539 PRO HB2 . 19317 1 27 . 1 1 4 4 PRO HB3 H 1 2.382 . . 2 . . . A 539 PRO HB . 19317 1 28 . 1 1 4 4 PRO HG2 H 1 2.080 . . 2 . . . A 539 PRO HG2 . 19317 1 29 . 1 1 4 4 PRO HG3 H 1 2.080 . . 2 . . . A 539 PRO HG . 19317 1 30 . 1 1 4 4 PRO HD2 H 1 3.731 . . 2 . . . A 539 PRO HD2 . 19317 1 31 . 1 1 4 4 PRO HD3 H 1 3.731 . . 2 . . . A 539 PRO HD . 19317 1 32 . 1 1 4 4 PRO C C 13 179.726 . . . . . . A 539 PRO C . 19317 1 33 . 1 1 4 4 PRO CA C 13 65.343 . . 1 . . . A 539 PRO CA . 19317 1 34 . 1 1 4 4 PRO CB C 13 31.240 . . 1 . . . A 539 PRO CB . 19317 1 35 . 1 1 4 4 PRO CD C 13 50.208 . . 1 . . . A 539 PRO CD . 19317 1 36 . 1 1 5 5 LEU H H 1 7.923 . . 1 . . . A 540 LEU HN . 19317 1 37 . 1 1 5 5 LEU HA H 1 4.337 . . 1 . . . A 540 LEU HA . 19317 1 38 . 1 1 5 5 LEU HB2 H 1 1.915 . . . . . . A 540 LEU HB2 . 19317 1 39 . 1 1 5 5 LEU HB3 H 1 1.652 . . 2 . . . A 540 LEU HB3 . 19317 1 40 . 1 1 5 5 LEU HG H 1 1.178 . . 1 . . . A 540 LEU HG . 19317 1 41 . 1 1 5 5 LEU HD11 H 1 1.031 . . . . . . A 540 LEU HD11 . 19317 1 42 . 1 1 5 5 LEU HD12 H 1 1.031 . . . . . . A 540 LEU HD12 . 19317 1 43 . 1 1 5 5 LEU HD13 H 1 1.031 . . . . . . A 540 LEU HD13 . 19317 1 44 . 1 1 5 5 LEU HD21 H 1 1.031 . . . . . . A 540 LEU HD21 . 19317 1 45 . 1 1 5 5 LEU HD22 H 1 1.031 . . . . . . A 540 LEU HD22 . 19317 1 46 . 1 1 5 5 LEU HD23 H 1 1.031 . . . . . . A 540 LEU HD23 . 19317 1 47 . 1 1 5 5 LEU C C 13 177.936 . . . . . . A 540 LEU C . 19317 1 48 . 1 1 5 5 LEU CA C 13 57.621 . . 1 . . . A 540 LEU CA . 19317 1 49 . 1 1 5 5 LEU CB C 13 40.494 . . 1 . . . A 540 LEU CB . 19317 1 50 . 1 1 5 5 LEU CD1 C 13 24.149 . . . . . . A 540 LEU CD1 . 19317 1 51 . 1 1 5 5 LEU CD2 C 13 24.149 . . . . . . A 540 LEU CD2 . 19317 1 52 . 1 1 5 5 LEU N N 15 120.634 . . 1 . . . A 540 LEU N . 19317 1 53 . 1 1 6 6 PHE H H 1 8.595 . . 1 . . . A 541 PHE HN . 19317 1 54 . 1 1 6 6 PHE HA H 1 4.186 . . 1 . . . A 541 PHE HA . 19317 1 55 . 1 1 6 6 PHE HB2 H 1 3.254 . . . . . . A 541 PHE HB2 . 19317 1 56 . 1 1 6 6 PHE HB3 H 1 3.101 . . 2 . . . A 541 PHE HB3 . 19317 1 57 . 1 1 6 6 PHE HD1 H 1 7.055 . . . . . . A 541 PHE HD1 . 19317 1 58 . 1 1 6 6 PHE HD2 H 1 7.055 . . . . . . A 541 PHE HD2 . 19317 1 59 . 1 1 6 6 PHE HE1 H 1 6.772 . . . . . . A 541 PHE HE1 . 19317 1 60 . 1 1 6 6 PHE HE2 H 1 6.772 . . . . . . A 541 PHE HE2 . 19317 1 61 . 1 1 6 6 PHE HZ H 1 6.431 . . 1 . . . A 541 PHE HZ . 19317 1 62 . 1 1 6 6 PHE C C 13 177.369 . . . . . . A 541 PHE C . 19317 1 63 . 1 1 6 6 PHE CA C 13 61.402 . . 1 . . . A 541 PHE CA . 19317 1 64 . 1 1 6 6 PHE CB C 13 38.697 . . 1 . . . A 541 PHE CB . 19317 1 65 . 1 1 6 6 PHE CD1 C 13 131.520 . . . . . . A 541 PHE CD1 . 19317 1 66 . 1 1 6 6 PHE CD2 C 13 131.520 . . . . . . A 541 PHE CD2 . 19317 1 67 . 1 1 6 6 PHE CE1 C 13 132.621 . . . . . . A 541 PHE CE1 . 19317 1 68 . 1 1 6 6 PHE N N 15 120.847 . . 1 . . . A 541 PHE N . 19317 1 69 . 1 1 7 7 GLU H H 1 8.411 . . 1 . . . A 542 GLU HN . 19317 1 70 . 1 1 7 7 GLU HA H 1 3.931 . . 1 . . . A 542 GLU HA . 19317 1 71 . 1 1 7 7 GLU HB2 H 1 2.049 . . 2 . . . A 542 GLU HB2 . 19317 1 72 . 1 1 7 7 GLU HB3 H 1 2.049 . . 2 . . . A 542 GLU HB . 19317 1 73 . 1 1 7 7 GLU HG2 H 1 2.413 . . 2 . . . A 542 GLU HG2 . 19317 1 74 . 1 1 7 7 GLU HG3 H 1 2.413 . . 2 . . . A 542 GLU HG . 19317 1 75 . 1 1 7 7 GLU C C 13 179.561 . . . . . . A 542 GLU C . 19317 1 76 . 1 1 7 7 GLU CA C 13 58.832 . . 1 . . . A 542 GLU CA . 19317 1 77 . 1 1 7 7 GLU CB C 13 28.546 . . 1 . . . A 542 GLU CB . 19317 1 78 . 1 1 7 7 GLU CG C 13 35.477 . . 1 . . . A 542 GLU CG . 19317 1 79 . 1 1 7 7 GLU N N 15 117.121 . . 1 . . . A 542 GLU N . 19317 1 80 . 1 1 8 8 ALA H H 1 8.270 . . 1 . . . A 543 ALA HN . 19317 1 81 . 1 1 8 8 ALA HA H 1 4.278 . . 1 . . . A 543 ALA HA . 19317 1 82 . 1 1 8 8 ALA HB1 H 1 1.522 . . 1 . . . A 543 ALA HB1 . 19317 1 83 . 1 1 8 8 ALA HB2 H 1 1.522 . . 1 . . . A 543 ALA HB2 . 19317 1 84 . 1 1 8 8 ALA HB3 H 1 1.522 . . 1 . . . A 543 ALA HB3 . 19317 1 85 . 1 1 8 8 ALA C C 13 181.975 . . . . . . A 543 ALA C . 19317 1 86 . 1 1 8 8 ALA CA C 13 55.156 . . 1 . . . A 543 ALA CA . 19317 1 87 . 1 1 8 8 ALA CB C 13 18.195 . . 1 . . . A 543 ALA CB . 19317 1 88 . 1 1 8 8 ALA N N 15 124.498 . . 1 . . . A 543 ALA N . 19317 1 89 . 1 1 9 9 LEU H H 1 8.712 . . 1 . . . A 544 LEU HN . 19317 1 90 . 1 1 9 9 LEU HA H 1 4.320 . . 1 . . . A 544 LEU HA . 19317 1 91 . 1 1 9 9 LEU HB2 H 1 2.183 . . . . . . A 544 LEU HB2 . 19317 1 92 . 1 1 9 9 LEU HB3 H 1 1.479 . . 2 . . . A 544 LEU HB3 . 19317 1 93 . 1 1 9 9 LEU HG H 1 1.767 . . 1 . . . A 544 LEU HG . 19317 1 94 . 1 1 9 9 LEU HD11 H 1 0.805 . . 2 . . . A 544 LEU HD11 . 19317 1 95 . 1 1 9 9 LEU HD12 H 1 0.805 . . 2 . . . A 544 LEU HD12 . 19317 1 96 . 1 1 9 9 LEU HD13 H 1 0.805 . . 2 . . . A 544 LEU HD13 . 19317 1 97 . 1 1 9 9 LEU HD21 H 1 0.683 . . 2 . . . A 544 LEU HD21 . 19317 1 98 . 1 1 9 9 LEU HD22 H 1 0.683 . . 2 . . . A 544 LEU HD22 . 19317 1 99 . 1 1 9 9 LEU HD23 H 1 0.683 . . 2 . . . A 544 LEU HD23 . 19317 1 100 . 1 1 9 9 LEU C C 13 178.862 . . . . . . A 544 LEU C . 19317 1 101 . 1 1 9 9 LEU CA C 13 57.823 . . 1 . . . A 544 LEU CA . 19317 1 102 . 1 1 9 9 LEU CB C 13 42.265 . . 1 . . . A 544 LEU CB . 19317 1 103 . 1 1 9 9 LEU CD1 C 13 22.947 . . . . . . A 544 LEU CD1 . 19317 1 104 . 1 1 9 9 LEU CD2 C 13 22.947 . . . . . . A 544 LEU CD2 . 19317 1 105 . 1 1 9 9 LEU N N 15 121.753 . . 1 . . . A 544 LEU N . 19317 1 106 . 1 1 10 10 ARG H H 1 8.532 . . 1 . . . A 545 ARG HN . 19317 1 107 . 1 1 10 10 ARG HA H 1 3.655 . . 1 . . . A 545 ARG HA . 19317 1 108 . 1 1 10 10 ARG HB2 H 1 1.711 . . 2 . . . A 545 ARG HB2 . 19317 1 109 . 1 1 10 10 ARG HB3 H 1 1.711 . . 2 . . . A 545 ARG HB . 19317 1 110 . 1 1 10 10 ARG HG2 H 1 1.281 . . . . . . A 545 ARG HG2 . 19317 1 111 . 1 1 10 10 ARG HG3 H 1 1.102 . . 2 . . . A 545 ARG HG3 . 19317 1 112 . 1 1 10 10 ARG HD2 H 1 2.870 . . . . . . A 545 ARG HD2 . 19317 1 113 . 1 1 10 10 ARG HD3 H 1 2.809 . . 2 . . . A 545 ARG HD3 . 19317 1 114 . 1 1 10 10 ARG C C 13 179.358 . . . . . . A 545 ARG C . 19317 1 115 . 1 1 10 10 ARG CA C 13 60.665 . . 1 . . . A 545 ARG CA . 19317 1 116 . 1 1 10 10 ARG CB C 13 30.073 . . 1 . . . A 545 ARG CB . 19317 1 117 . 1 1 10 10 ARG CG C 13 27.501 . . 1 . . . A 545 ARG CG . 19317 1 118 . 1 1 10 10 ARG CD C 13 43.806 . . 1 . . . A 545 ARG CD . 19317 1 119 . 1 1 10 10 ARG N N 15 121.300 . . 1 . . . A 545 ARG N . 19317 1 120 . 1 1 11 11 ALA H H 1 8.359 . . 1 . . . A 546 ALA HN . 19317 1 121 . 1 1 11 11 ALA HA H 1 4.179 . . 1 . . . A 546 ALA HA . 19317 1 122 . 1 1 11 11 ALA HB1 H 1 1.540 . . 1 . . . A 546 ALA HB1 . 19317 1 123 . 1 1 11 11 ALA HB2 H 1 1.540 . . 1 . . . A 546 ALA HB2 . 19317 1 124 . 1 1 11 11 ALA HB3 H 1 1.540 . . 1 . . . A 546 ALA HB3 . 19317 1 125 . 1 1 11 11 ALA C C 13 180.514 . . . . . . A 546 ALA C . 19317 1 126 . 1 1 11 11 ALA CA C 13 55.404 . . 1 . . . A 546 ALA CA . 19317 1 127 . 1 1 11 11 ALA CB C 13 17.857 . . 1 . . . A 546 ALA CB . 19317 1 128 . 1 1 11 11 ALA N N 15 124.043 . . 1 . . . A 546 ALA N . 19317 1 129 . 1 1 12 12 TRP H H 1 8.337 . . 1 . . . A 547 TRP HN . 19317 1 130 . 1 1 12 12 TRP HA H 1 4.134 . . 1 . . . A 547 TRP HA . 19317 1 131 . 1 1 12 12 TRP HB2 H 1 3.409 . . . . . . A 547 TRP HB2 . 19317 1 132 . 1 1 12 12 TRP HB3 H 1 3.623 . . 2 . . . A 547 TRP HB3 . 19317 1 133 . 1 1 12 12 TRP HD1 H 1 7.263 . . 1 . . . A 547 TRP HD1 . 19317 1 134 . 1 1 12 12 TRP HE1 H 1 8.421 . . 1 . . . A 547 TRP HE1 . 19317 1 135 . 1 1 12 12 TRP C C 13 176.957 . . . . . . A 547 TRP C . 19317 1 136 . 1 1 12 12 TRP CA C 13 61.679 . . 1 . . . A 547 TRP CA . 19317 1 137 . 1 1 12 12 TRP CB C 13 27.947 . . 1 . . . A 547 TRP CB . 19317 1 138 . 1 1 12 12 TRP CD1 C 13 127.332 . . . . . . A 547 TRP CD1 . 19317 1 139 . 1 1 12 12 TRP N N 15 121.943 . . 1 . . . A 547 TRP N . 19317 1 140 . 1 1 13 13 ARG H H 1 8.698 . . 1 . . . A 548 ARG HN . 19317 1 141 . 1 1 13 13 ARG HA H 1 2.684 . . 1 . . . A 548 ARG HA . 19317 1 142 . 1 1 13 13 ARG HB2 H 1 2.131 . . . . . . A 548 ARG HB2 . 19317 1 143 . 1 1 13 13 ARG HB3 H 1 1.815 . . 2 . . . A 548 ARG HB3 . 19317 1 144 . 1 1 13 13 ARG HG2 H 1 1.506 . . . . . . A 548 ARG HG2 . 19317 1 145 . 1 1 13 13 ARG HG3 H 1 1.387 . . 2 . . . A 548 ARG HG3 . 19317 1 146 . 1 1 13 13 ARG HD2 H 1 3.945 . . . . . . A 548 ARG HD2 . 19317 1 147 . 1 1 13 13 ARG HD3 H 1 2.900 . . 2 . . . A 548 ARG HD3 . 19317 1 148 . 1 1 13 13 ARG HE H 1 6.670 . . 1 . . . A 548 ARG HE . 19317 1 149 . 1 1 13 13 ARG HH11 H 1 6.717 . . . . . . A 548 ARG HH11 . 19317 1 150 . 1 1 13 13 ARG HH21 H 1 6.715 . . . . . . A 548 ARG HH21 . 19317 1 151 . 1 1 13 13 ARG C C 13 176.643 . . . . . . A 548 ARG C . 19317 1 152 . 1 1 13 13 ARG CA C 13 59.057 . . 1 . . . A 548 ARG CA . 19317 1 153 . 1 1 13 13 ARG CB C 13 29.977 . . 1 . . . A 548 ARG CB . 19317 1 154 . 1 1 13 13 ARG CD C 13 43.586 . . 1 . . . A 548 ARG CD . 19317 1 155 . 1 1 13 13 ARG N N 15 120.252 . . 1 . . . A 548 ARG N . 19317 1 156 . 1 1 14 14 LEU H H 1 7.726 . . 1 . . . A 549 LEU HN . 19317 1 157 . 1 1 14 14 LEU HA H 1 3.827 . . 1 . . . A 549 LEU HA . 19317 1 158 . 1 1 14 14 LEU HB2 H 1 1.747 . . 2 . . . A 549 LEU HB2 . 19317 1 159 . 1 1 14 14 LEU HB3 H 1 1.747 . . 2 . . . A 549 LEU HB . 19317 1 160 . 1 1 14 14 LEU HG H 1 1.678 . . 1 . . . A 549 LEU HG . 19317 1 161 . 1 1 14 14 LEU HD11 H 1 0.902 . . . . . . A 549 LEU HD11 . 19317 1 162 . 1 1 14 14 LEU HD12 H 1 0.902 . . . . . . A 549 LEU HD12 . 19317 1 163 . 1 1 14 14 LEU HD13 H 1 0.902 . . . . . . A 549 LEU HD13 . 19317 1 164 . 1 1 14 14 LEU HD21 H 1 0.902 . . . . . . A 549 LEU HD21 . 19317 1 165 . 1 1 14 14 LEU HD22 H 1 0.902 . . . . . . A 549 LEU HD22 . 19317 1 166 . 1 1 14 14 LEU HD23 H 1 0.902 . . . . . . A 549 LEU HD23 . 19317 1 167 . 1 1 14 14 LEU C C 13 178.737 . . . . . . A 549 LEU C . 19317 1 168 . 1 1 14 14 LEU CA C 13 57.968 . . 1 . . . A 549 LEU CA . 19317 1 169 . 1 1 14 14 LEU CB C 13 41.944 . . 1 . . . A 549 LEU CB . 19317 1 170 . 1 1 14 14 LEU CD1 C 13 24.275 . . . . . . A 549 LEU CD1 . 19317 1 171 . 1 1 14 14 LEU CD2 C 13 24.275 . . . . . . A 549 LEU CD2 . 19317 1 172 . 1 1 14 14 LEU N N 15 119.884 . . 1 . . . A 549 LEU N . 19317 1 173 . 1 1 15 15 GLN H H 1 7.438 . . 1 . . . A 550 GLN HN . 19317 1 174 . 1 1 15 15 GLN HA H 1 3.921 . . 1 . . . A 550 GLN HA . 19317 1 175 . 1 1 15 15 GLN HB2 H 1 2.096 . . 2 . . . A 550 GLN HB2 . 19317 1 176 . 1 1 15 15 GLN HB3 H 1 2.096 . . 2 . . . A 550 GLN HB . 19317 1 177 . 1 1 15 15 GLN HG2 H 1 2.366 . . 2 . . . A 550 GLN HG2 . 19317 1 178 . 1 1 15 15 GLN HG3 H 1 2.366 . . 2 . . . A 550 GLN HG . 19317 1 179 . 1 1 15 15 GLN HE21 H 1 7.667 . . 2 . . . A 550 GLN HE21 . 19317 1 180 . 1 1 15 15 GLN HE22 H 1 6.930 . . 2 . . . A 550 GLN HE22 . 19317 1 181 . 1 1 15 15 GLN C C 13 178.399 . . . . . . A 550 GLN C . 19317 1 182 . 1 1 15 15 GLN CA C 13 58.360 . . 1 . . . A 550 GLN CA . 19317 1 183 . 1 1 15 15 GLN CB C 13 27.603 . . 1 . . . A 550 GLN CB . 19317 1 184 . 1 1 15 15 GLN CG C 13 32.939 . . 1 . . . A 550 GLN CG . 19317 1 185 . 1 1 15 15 GLN N N 15 118.697 . . 1 . . . A 550 GLN N . 19317 1 186 . 1 1 15 15 GLN NE2 N 15 112.462 . . 1 . . . A 550 GLN NE2 . 19317 1 187 . 1 1 16 16 LYS H H 1 8.207 . . 1 . . . A 551 LYS HN . 19317 1 188 . 1 1 16 16 LYS HA H 1 3.846 . . 1 . . . A 551 LYS HA . 19317 1 189 . 1 1 16 16 LYS HB2 H 1 0.676 . . . . . . A 551 LYS HB2 . 19317 1 190 . 1 1 16 16 LYS HB3 H 1 0.984 . . 2 . . . A 551 LYS HB3 . 19317 1 191 . 1 1 16 16 LYS HG2 H 1 0.668 . . . . . . A 551 LYS HG2 . 19317 1 192 . 1 1 16 16 LYS HG3 H 1 0.958 . . 2 . . . A 551 LYS HG3 . 19317 1 193 . 1 1 16 16 LYS HD2 H 1 0.995 . . . . . . A 551 LYS HD2 . 19317 1 194 . 1 1 16 16 LYS HD3 H 1 0.676 . . 2 . . . A 551 LYS HD3 . 19317 1 195 . 1 1 16 16 LYS HE2 H 1 2.999 . . 2 . . . A 551 LYS HE2 . 19317 1 196 . 1 1 16 16 LYS HE3 H 1 2.999 . . 2 . . . A 551 LYS HE . 19317 1 197 . 1 1 16 16 LYS C C 13 177.667 . . . . . . A 551 LYS C . 19317 1 198 . 1 1 16 16 LYS CA C 13 56.470 . . 1 . . . A 551 LYS CA . 19317 1 199 . 1 1 16 16 LYS CB C 13 29.687 . . 1 . . . A 551 LYS CB . 19317 1 200 . 1 1 16 16 LYS CG C 13 29.634 . . 1 . . . A 551 LYS CG . 19317 1 201 . 1 1 16 16 LYS CE C 13 41.910 . . 1 . . . A 551 LYS CE . 19317 1 202 . 1 1 16 16 LYS N N 15 122.490 . . 1 . . . A 551 LYS N . 19317 1 203 . 1 1 17 17 ALA H H 1 8.325 . . 1 . . . A 552 ALA HN . 19317 1 204 . 1 1 17 17 ALA HA H 1 3.702 . . 1 . . . A 552 ALA HA . 19317 1 205 . 1 1 17 17 ALA HB1 H 1 1.441 . . 1 . . . A 552 ALA HB1 . 19317 1 206 . 1 1 17 17 ALA HB2 H 1 1.441 . . 1 . . . A 552 ALA HB2 . 19317 1 207 . 1 1 17 17 ALA HB3 H 1 1.441 . . 1 . . . A 552 ALA HB3 . 19317 1 208 . 1 1 17 17 ALA C C 13 179.949 . . . . . . A 552 ALA C . 19317 1 209 . 1 1 17 17 ALA CA C 13 55.493 . . 1 . . . A 552 ALA CA . 19317 1 210 . 1 1 17 17 ALA CB C 13 17.846 . . 1 . . . A 552 ALA CB . 19317 1 211 . 1 1 17 17 ALA N N 15 121.373 . . 1 . . . A 552 ALA N . 19317 1 212 . 1 1 18 18 LYS H H 1 7.633 . . 1 . . . A 553 LYS HN . 19317 1 213 . 1 1 18 18 LYS HA H 1 4.045 . . 1 . . . A 553 LYS HA . 19317 1 214 . 1 1 18 18 LYS HB2 H 1 1.894 . . 2 . . . A 553 LYS HB2 . 19317 1 215 . 1 1 18 18 LYS HB3 H 1 1.894 . . 2 . . . A 553 LYS HB . 19317 1 216 . 1 1 18 18 LYS HG2 H 1 1.374 . . . . . . A 553 LYS HG2 . 19317 1 217 . 1 1 18 18 LYS HG3 H 1 1.544 . . 2 . . . A 553 LYS HG3 . 19317 1 218 . 1 1 18 18 LYS HD2 H 1 1.402 . . 2 . . . A 553 LYS HD2 . 19317 1 219 . 1 1 18 18 LYS HD3 H 1 1.402 . . 2 . . . A 553 LYS HD . 19317 1 220 . 1 1 18 18 LYS HE2 H 1 2.912 . . 2 . . . A 553 LYS HE2 . 19317 1 221 . 1 1 18 18 LYS HE3 H 1 2.912 . . 2 . . . A 553 LYS HE . 19317 1 222 . 1 1 18 18 LYS C C 13 180.012 . . . . . . A 553 LYS C . 19317 1 223 . 1 1 18 18 LYS CA C 13 58.925 . . 1 . . . A 553 LYS CA . 19317 1 224 . 1 1 18 18 LYS CB C 13 32.046 . . 1 . . . A 553 LYS CB . 19317 1 225 . 1 1 18 18 LYS CG C 13 25.062 . . 1 . . . A 553 LYS CG . 19317 1 226 . 1 1 18 18 LYS CD C 13 25.061 . . 1 . . . A 553 LYS CD . 19317 1 227 . 1 1 18 18 LYS CE C 13 41.891 . . 1 . . . A 553 LYS CE . 19317 1 228 . 1 1 18 18 LYS N N 15 117.317 . . 1 . . . A 553 LYS N . 19317 1 229 . 1 1 19 19 GLU H H 1 8.073 . . 1 . . . A 554 GLU HN . 19317 1 230 . 1 1 19 19 GLU HA H 1 3.938 . . 1 . . . A 554 GLU HA . 19317 1 231 . 1 1 19 19 GLU HB2 H 1 2.189 . . 2 . . . A 554 GLU HB2 . 19317 1 232 . 1 1 19 19 GLU HB3 H 1 2.189 . . 2 . . . A 554 GLU HB . 19317 1 233 . 1 1 19 19 GLU HG2 H 1 2.451 . . 2 . . . A 554 GLU HG2 . 19317 1 234 . 1 1 19 19 GLU HG3 H 1 2.451 . . 2 . . . A 554 GLU HG . 19317 1 235 . 1 1 19 19 GLU C C 13 178.905 . . . . . . A 554 GLU C . 19317 1 236 . 1 1 19 19 GLU CA C 13 59.264 . . 1 . . . A 554 GLU CA . 19317 1 237 . 1 1 19 19 GLU CB C 13 29.773 . . 1 . . . A 554 GLU CB . 19317 1 238 . 1 1 19 19 GLU CG C 13 36.001 . . 1 . . . A 554 GLU CG . 19317 1 239 . 1 1 19 19 GLU N N 15 118.028 . . 1 . . . A 554 GLU N . 19317 1 240 . 1 1 20 20 LEU H H 1 7.996 . . 1 . . . A 555 LEU HN . 19317 1 241 . 1 1 20 20 LEU HA H 1 4.330 . . 1 . . . A 555 LEU HA . 19317 1 242 . 1 1 20 20 LEU HB2 H 1 1.523 . . 2 . . . A 555 LEU HB2 . 19317 1 243 . 1 1 20 20 LEU HB3 H 1 1.523 . . 2 . . . A 555 LEU HB . 19317 1 244 . 1 1 20 20 LEU HG H 1 1.778 . . 1 . . . A 555 LEU HG . 19317 1 245 . 1 1 20 20 LEU HD11 H 1 0.903 . . . . . . A 555 LEU HD11 . 19317 1 246 . 1 1 20 20 LEU HD12 H 1 0.903 . . . . . . A 555 LEU HD12 . 19317 1 247 . 1 1 20 20 LEU HD13 H 1 0.903 . . . . . . A 555 LEU HD13 . 19317 1 248 . 1 1 20 20 LEU HD21 H 1 0.903 . . . . . . A 555 LEU HD21 . 19317 1 249 . 1 1 20 20 LEU HD22 H 1 0.903 . . . . . . A 555 LEU HD22 . 19317 1 250 . 1 1 20 20 LEU HD23 H 1 0.903 . . . . . . A 555 LEU HD23 . 19317 1 251 . 1 1 20 20 LEU C C 13 176.014 . . . . . . A 555 LEU C . 19317 1 252 . 1 1 20 20 LEU CA C 13 54.690 . . 1 . . . A 555 LEU CA . 19317 1 253 . 1 1 20 20 LEU CB C 13 42.556 . . 1 . . . A 555 LEU CB . 19317 1 254 . 1 1 20 20 LEU N N 15 115.956 . . 1 . . . A 555 LEU N . 19317 1 255 . 1 1 21 21 SER H H 1 7.802 . . 1 . . . A 556 SER HN . 19317 1 256 . 1 1 21 21 SER HB2 H 1 4.001 . . 2 . . . A 556 SER HB2 . 19317 1 257 . 1 1 21 21 SER HB3 H 1 4.001 . . 2 . . . A 556 SER HB . 19317 1 258 . 1 1 21 21 SER C C 13 173.701 . . . . . . A 556 SER C . 19317 1 259 . 1 1 21 21 SER CA C 13 58.593 . . 1 . . . A 556 SER CA . 19317 1 260 . 1 1 21 21 SER CB C 13 61.228 . . 1 . . . A 556 SER CB . 19317 1 261 . 1 1 21 21 SER N N 15 114.976 . . 1 . . . A 556 SER N . 19317 1 262 . 1 1 22 22 LEU H H 1 8.110 . . 1 . . . A 557 LEU HN . 19317 1 263 . 1 1 22 22 LEU HA H 1 4.818 . . 1 . . . A 557 LEU HA . 19317 1 264 . 1 1 22 22 LEU HB2 H 1 1.010 . . . . . . A 557 LEU HB2 . 19317 1 265 . 1 1 22 22 LEU HB3 H 1 1.233 . . 2 . . . A 557 LEU HB3 . 19317 1 266 . 1 1 22 22 LEU HG H 1 1.494 . . 1 . . . A 557 LEU HG . 19317 1 267 . 1 1 22 22 LEU HD11 H 1 0.859 . . 2 . . . A 557 LEU HD11 . 19317 1 268 . 1 1 22 22 LEU HD12 H 1 0.859 . . 2 . . . A 557 LEU HD12 . 19317 1 269 . 1 1 22 22 LEU HD13 H 1 0.859 . . 2 . . . A 557 LEU HD13 . 19317 1 270 . 1 1 22 22 LEU HD21 H 1 0.697 . . 2 . . . A 557 LEU HD21 . 19317 1 271 . 1 1 22 22 LEU HD22 H 1 0.697 . . 2 . . . A 557 LEU HD22 . 19317 1 272 . 1 1 22 22 LEU HD23 H 1 0.697 . . 2 . . . A 557 LEU HD23 . 19317 1 273 . 1 1 22 22 LEU CA C 13 51.042 . . 1 . . . A 557 LEU CA . 19317 1 274 . 1 1 22 22 LEU CB C 13 44.790 . . 1 . . . A 557 LEU CB . 19317 1 275 . 1 1 22 22 LEU CD1 C 13 25.391 . . . . . . A 557 LEU CD1 . 19317 1 276 . 1 1 22 22 LEU CD2 C 13 25.165 . . 2 . . . A 557 LEU CD2 . 19317 1 277 . 1 1 22 22 LEU N N 15 119.301 . . 1 . . . A 557 LEU N . 19317 1 278 . 1 1 23 23 PRO HA H 1 4.514 . . 1 . . . A 558 PRO HA . 19317 1 279 . 1 1 23 23 PRO HB2 H 1 2.299 . . . . . . A 558 PRO HB2 . 19317 1 280 . 1 1 23 23 PRO HB3 H 1 1.367 . . 2 . . . A 558 PRO HB3 . 19317 1 281 . 1 1 23 23 PRO HG2 H 1 1.995 . . . . . . A 558 PRO HG2 . 19317 1 282 . 1 1 23 23 PRO HG3 H 1 1.929 . . 2 . . . A 558 PRO HG3 . 19317 1 283 . 1 1 23 23 PRO HD2 H 1 3.430 . . . . . . A 558 PRO HD2 . 19317 1 284 . 1 1 23 23 PRO HD3 H 1 3.680 . . 2 . . . A 558 PRO HD3 . 19317 1 285 . 1 1 23 23 PRO CA C 13 60.543 . . 1 . . . A 558 PRO CA . 19317 1 286 . 1 1 23 23 PRO CB C 13 31.301 . . 1 . . . A 558 PRO CB . 19317 1 287 . 1 1 23 23 PRO CD C 13 50.100 . . 1 . . . A 558 PRO CD . 19317 1 288 . 1 1 24 24 PRO HA H 1 3.792 . . 1 . . . A 559 PRO HA . 19317 1 289 . 1 1 24 24 PRO HB2 H 1 1.778 . . 2 . . . A 559 PRO HB2 . 19317 1 290 . 1 1 24 24 PRO HB3 H 1 1.778 . . 2 . . . A 559 PRO HB . 19317 1 291 . 1 1 24 24 PRO HG2 H 1 1.894 . . 2 . . . A 559 PRO HG2 . 19317 1 292 . 1 1 24 24 PRO HG3 H 1 1.894 . . 2 . . . A 559 PRO HG . 19317 1 293 . 1 1 24 24 PRO C C 13 177.927 . . . . . . A 559 PRO C . 19317 1 294 . 1 1 24 24 PRO CA C 13 66.073 . . 1 . . . A 559 PRO CA . 19317 1 295 . 1 1 24 24 PRO CB C 13 31.677 . . 1 . . . A 559 PRO CB . 19317 1 296 . 1 1 25 25 TYR H H 1 7.672 . . 1 . . . A 560 TYR HN . 19317 1 297 . 1 1 25 25 TYR HA H 1 4.393 . . 1 . . . A 560 TYR HA . 19317 1 298 . 1 1 25 25 TYR HB2 H 1 2.922 . . 2 . . . A 560 TYR HB2 . 19317 1 299 . 1 1 25 25 TYR HB3 H 1 2.922 . . 2 . . . A 560 TYR HB . 19317 1 300 . 1 1 25 25 TYR HD1 H 1 6.991 . . . . . . A 560 TYR HD1 . 19317 1 301 . 1 1 25 25 TYR HD2 H 1 6.991 . . . . . . A 560 TYR HD2 . 19317 1 302 . 1 1 25 25 TYR HE2 H 1 6.890 . . 3 . . . A 560 TYR HE2 . 19317 1 303 . 1 1 25 25 TYR C C 13 176.096 . . . . . . A 560 TYR C . 19317 1 304 . 1 1 25 25 TYR CA C 13 57.592 . . 1 . . . A 560 TYR CA . 19317 1 305 . 1 1 25 25 TYR CB C 13 35.625 . . 1 . . . A 560 TYR CB . 19317 1 306 . 1 1 25 25 TYR CD1 C 13 132.661 . . . . . . A 560 TYR CD1 . 19317 1 307 . 1 1 25 25 TYR CD2 C 13 132.661 . . . . . . A 560 TYR CD2 . 19317 1 308 . 1 1 25 25 TYR N N 15 112.183 . . 1 . . . A 560 TYR N . 19317 1 309 . 1 1 26 26 THR H H 1 7.414 . . 1 . . . A 561 THR HN . 19317 1 310 . 1 1 26 26 THR HA H 1 4.015 . . 1 . . . A 561 THR HA . 19317 1 311 . 1 1 26 26 THR HB H 1 4.012 . . 1 . . . A 561 THR HB . 19317 1 312 . 1 1 26 26 THR HG21 H 1 1.110 . . 1 . . . A 561 THR HG21 . 19317 1 313 . 1 1 26 26 THR HG22 H 1 1.110 . . 1 . . . A 561 THR HG22 . 19317 1 314 . 1 1 26 26 THR HG23 H 1 1.110 . . 1 . . . A 561 THR HG23 . 19317 1 315 . 1 1 26 26 THR C C 13 175.218 . . . . . . A 561 THR C . 19317 1 316 . 1 1 26 26 THR CA C 13 63.644 . . 1 . . . A 561 THR CA . 19317 1 317 . 1 1 26 26 THR CB C 13 66.333 . . 1 . . . A 561 THR CB . 19317 1 318 . 1 1 26 26 THR CG2 C 13 22.414 . . . . . . A 561 THR CG2 . 19317 1 319 . 1 1 26 26 THR N N 15 112.685 . . 1 . . . A 561 THR N . 19317 1 320 . 1 1 27 27 ILE H H 1 7.355 . . 1 . . . A 562 ILE HN . 19317 1 321 . 1 1 27 27 ILE HA H 1 3.466 . . 1 . . . A 562 ILE HA . 19317 1 322 . 1 1 27 27 ILE HB H 1 1.748 . . 1 . . . A 562 ILE HB . 19317 1 323 . 1 1 27 27 ILE HG12 H 1 0.791 . . . . . . A 562 ILE HG12 . 19317 1 324 . 1 1 27 27 ILE HG13 H 1 1.127 . . 2 . . . A 562 ILE HG13 . 19317 1 325 . 1 1 27 27 ILE HG21 H 1 0.026 . . 1 . . . A 562 ILE HG21 . 19317 1 326 . 1 1 27 27 ILE HG22 H 1 0.026 . . 1 . . . A 562 ILE HG22 . 19317 1 327 . 1 1 27 27 ILE HG23 H 1 0.026 . . 1 . . . A 562 ILE HG23 . 19317 1 328 . 1 1 27 27 ILE HD11 H 1 0.349 . . 1 . . . A 562 ILE HD11 . 19317 1 329 . 1 1 27 27 ILE HD12 H 1 0.349 . . 1 . . . A 562 ILE HD12 . 19317 1 330 . 1 1 27 27 ILE HD13 H 1 0.349 . . 1 . . . A 562 ILE HD13 . 19317 1 331 . 1 1 27 27 ILE C C 13 173.966 . . . . . . A 562 ILE C . 19317 1 332 . 1 1 27 27 ILE CA C 13 63.713 . . 1 . . . A 562 ILE CA . 19317 1 333 . 1 1 27 27 ILE CB C 13 35.866 . . 1 . . . A 562 ILE CB . 19317 1 334 . 1 1 27 27 ILE CG1 C 13 27.116 . . 1 . . . A 562 ILE CG1 . 19317 1 335 . 1 1 27 27 ILE CG2 C 13 16.561 . . 1 . . . A 562 ILE CG2 . 19317 1 336 . 1 1 27 27 ILE CD1 C 13 12.315 . . 1 . . . A 562 ILE CD1 . 19317 1 337 . 1 1 27 27 ILE N N 15 123.954 . . 1 . . . A 562 ILE N . 19317 1 338 . 1 1 28 28 PHE H H 1 6.697 . . 1 . . . A 563 PHE HN . 19317 1 339 . 1 1 28 28 PHE HA H 1 5.150 . . 1 . . . A 563 PHE HA . 19317 1 340 . 1 1 28 28 PHE HB2 H 1 3.402 . . . . . . A 563 PHE HB2 . 19317 1 341 . 1 1 28 28 PHE HB3 H 1 2.308 . . 2 . . . A 563 PHE HB3 . 19317 1 342 . 1 1 28 28 PHE HD1 H 1 7.228 . . . . . . A 563 PHE HD1 . 19317 1 343 . 1 1 28 28 PHE HD2 H 1 7.228 . . . . . . A 563 PHE HD2 . 19317 1 344 . 1 1 28 28 PHE HE1 H 1 7.257 . . . . . . A 563 PHE HE1 . 19317 1 345 . 1 1 28 28 PHE HE2 H 1 7.257 . . . . . . A 563 PHE HE2 . 19317 1 346 . 1 1 28 28 PHE HZ H 1 6.955 . . 1 . . . A 563 PHE HZ . 19317 1 347 . 1 1 28 28 PHE C C 13 175.669 . . . . . . A 563 PHE C . 19317 1 348 . 1 1 28 28 PHE CA C 13 57.100 . . 1 . . . A 563 PHE CA . 19317 1 349 . 1 1 28 28 PHE CB C 13 46.778 . . 1 . . . A 563 PHE CB . 19317 1 350 . 1 1 28 28 PHE CD1 C 13 132.733 . . . . . . A 563 PHE CD1 . 19317 1 351 . 1 1 28 28 PHE CD2 C 13 132.733 . . . . . . A 563 PHE CD2 . 19317 1 352 . 1 1 28 28 PHE CE1 C 13 131.546 . . . . . . A 563 PHE CE1 . 19317 1 353 . 1 1 28 28 PHE CZ C 13 127.492 . . 1 . . . A 563 PHE CZ . 19317 1 354 . 1 1 28 28 PHE N N 15 108.622 . . 1 . . . A 563 PHE N . 19317 1 355 . 1 1 29 29 HIS H H 1 9.734 . . 1 . . . A 564 HIS HN . 19317 1 356 . 1 1 29 29 HIS HA H 1 4.628 . . 1 . . . A 564 HIS HA . 19317 1 357 . 1 1 29 29 HIS HB2 H 1 3.317 . . . . . . A 564 HIS HB2 . 19317 1 358 . 1 1 29 29 HIS HB3 H 1 3.499 . . 2 . . . A 564 HIS HB3 . 19317 1 359 . 1 1 29 29 HIS HD2 H 1 7.317 . . 1 . . . A 564 HIS HD2 . 19317 1 360 . 1 1 29 29 HIS HE1 H 1 7.166 . . . . . . A 564 HIS HE1 . 19317 1 361 . 1 1 29 29 HIS C C 13 176.976 . . . . . . A 564 HIS C . 19317 1 362 . 1 1 29 29 HIS CA C 13 56.812 . . 1 . . . A 564 HIS CA . 19317 1 363 . 1 1 29 29 HIS CB C 13 30.828 . . 1 . . . A 564 HIS CB . 19317 1 364 . 1 1 29 29 HIS CD2 C 13 131.953 . . 1 . . . A 564 HIS CD2 . 19317 1 365 . 1 1 29 29 HIS N N 15 121.497 . . 1 . . . A 564 HIS N . 19317 1 366 . 1 1 30 30 ASP H H 1 9.368 . . 1 . . . A 565 ASP HN . 19317 1 367 . 1 1 30 30 ASP HA H 1 4.349 . . 1 . . . A 565 ASP HA . 19317 1 368 . 1 1 30 30 ASP HB2 H 1 2.848 . . 2 . . . A 565 ASP HB2 . 19317 1 369 . 1 1 30 30 ASP HB3 H 1 2.848 . . 2 . . . A 565 ASP HB . 19317 1 370 . 1 1 30 30 ASP C C 13 178.440 . . . . . . A 565 ASP C . 19317 1 371 . 1 1 30 30 ASP CA C 13 59.058 . . 1 . . . A 565 ASP CA . 19317 1 372 . 1 1 30 30 ASP CB C 13 39.745 . . 1 . . . A 565 ASP CB . 19317 1 373 . 1 1 30 30 ASP N N 15 124.257 . . 1 . . . A 565 ASP N . 19317 1 374 . 1 1 31 31 ALA H H 1 9.527 . . 1 . . . A 566 ALA HN . 19317 1 375 . 1 1 31 31 ALA HA H 1 4.116 . . 1 . . . A 566 ALA HA . 19317 1 376 . 1 1 31 31 ALA HB1 H 1 1.466 . . 1 . . . A 566 ALA HB1 . 19317 1 377 . 1 1 31 31 ALA HB2 H 1 1.466 . . 1 . . . A 566 ALA HB2 . 19317 1 378 . 1 1 31 31 ALA HB3 H 1 1.466 . . 1 . . . A 566 ALA HB3 . 19317 1 379 . 1 1 31 31 ALA C C 13 180.729 . . . . . . A 566 ALA C . 19317 1 380 . 1 1 31 31 ALA CA C 13 55.520 . . 1 . . . A 566 ALA CA . 19317 1 381 . 1 1 31 31 ALA CB C 13 18.124 . . 1 . . . A 566 ALA CB . 19317 1 382 . 1 1 31 31 ALA N N 15 121.118 . . 1 . . . A 566 ALA N . 19317 1 383 . 1 1 32 32 THR H H 1 7.197 . . 1 . . . A 567 THR HN . 19317 1 384 . 1 1 32 32 THR HA H 1 4.018 . . 1 . . . A 567 THR HA . 19317 1 385 . 1 1 32 32 THR HB H 1 4.283 . . 1 . . . A 567 THR HB . 19317 1 386 . 1 1 32 32 THR HG21 H 1 1.039 . . 1 . . . A 567 THR HG21 . 19317 1 387 . 1 1 32 32 THR HG22 H 1 1.039 . . 1 . . . A 567 THR HG22 . 19317 1 388 . 1 1 32 32 THR HG23 H 1 1.039 . . 1 . . . A 567 THR HG23 . 19317 1 389 . 1 1 32 32 THR C C 13 176.107 . . . . . . A 567 THR C . 19317 1 390 . 1 1 32 32 THR CA C 13 65.948 . . 1 . . . A 567 THR CA . 19317 1 391 . 1 1 32 32 THR CB C 13 68.850 . . 1 . . . A 567 THR CB . 19317 1 392 . 1 1 32 32 THR CG2 C 13 22.833 . . . . . . A 567 THR CG2 . 19317 1 393 . 1 1 32 32 THR N N 15 115.054 . . 1 . . . A 567 THR N . 19317 1 394 . 1 1 33 33 LEU H H 1 7.674 . . 1 . . . A 568 LEU HN . 19317 1 395 . 1 1 33 33 LEU HA H 1 4.006 . . 1 . . . A 568 LEU HA . 19317 1 396 . 1 1 33 33 LEU HB2 H 1 2.376 . . . . . . A 568 LEU HB2 . 19317 1 397 . 1 1 33 33 LEU HB3 H 1 1.481 . . 2 . . . A 568 LEU HB3 . 19317 1 398 . 1 1 33 33 LEU HG H 1 1.879 . . 1 . . . A 568 LEU HG . 19317 1 399 . 1 1 33 33 LEU HD11 H 1 0.771 . . . . . . A 568 LEU HD11 . 19317 1 400 . 1 1 33 33 LEU HD12 H 1 0.771 . . . . . . A 568 LEU HD12 . 19317 1 401 . 1 1 33 33 LEU HD13 H 1 0.771 . . . . . . A 568 LEU HD13 . 19317 1 402 . 1 1 33 33 LEU HD21 H 1 0.771 . . . . . . A 568 LEU HD21 . 19317 1 403 . 1 1 33 33 LEU HD22 H 1 0.771 . . . . . . A 568 LEU HD22 . 19317 1 404 . 1 1 33 33 LEU HD23 H 1 0.771 . . . . . . A 568 LEU HD23 . 19317 1 405 . 1 1 33 33 LEU C C 13 178.263 . . . . . . A 568 LEU C . 19317 1 406 . 1 1 33 33 LEU CA C 13 58.014 . . 1 . . . A 568 LEU CA . 19317 1 407 . 1 1 33 33 LEU CB C 13 41.202 . . 1 . . . A 568 LEU CB . 19317 1 408 . 1 1 33 33 LEU CD1 C 13 26.091 . . . . . . A 568 LEU CD1 . 19317 1 409 . 1 1 33 33 LEU CD2 C 13 26.091 . . . . . . A 568 LEU CD2 . 19317 1 410 . 1 1 33 33 LEU N N 15 118.298 . . 1 . . . A 568 LEU N . 19317 1 411 . 1 1 34 34 LYS H H 1 8.564 . . 1 . . . A 569 LYS HN . 19317 1 412 . 1 1 34 34 LYS HA H 1 3.685 . . 1 . . . A 569 LYS HA . 19317 1 413 . 1 1 34 34 LYS HB2 H 1 1.609 . . . . . . A 569 LYS HB2 . 19317 1 414 . 1 1 34 34 LYS HB3 H 1 1.820 . . 2 . . . A 569 LYS HB3 . 19317 1 415 . 1 1 34 34 LYS HG2 H 1 0.988 . . . . . . A 569 LYS HG2 . 19317 1 416 . 1 1 34 34 LYS HG3 H 1 1.095 . . 2 . . . A 569 LYS HG3 . 19317 1 417 . 1 1 34 34 LYS HD2 H 1 1.852 . . 2 . . . A 569 LYS HD2 . 19317 1 418 . 1 1 34 34 LYS HD3 H 1 1.852 . . 2 . . . A 569 LYS HD . 19317 1 419 . 1 1 34 34 LYS HE2 H 1 2.525 . . . . . . A 569 LYS HE2 . 19317 1 420 . 1 1 34 34 LYS HE3 H 1 2.586 . . 2 . . . A 569 LYS HE3 . 19317 1 421 . 1 1 34 34 LYS C C 13 178.299 . . . . . . A 569 LYS C . 19317 1 422 . 1 1 34 34 LYS CA C 13 59.707 . . 1 . . . A 569 LYS CA . 19317 1 423 . 1 1 34 34 LYS CB C 13 31.758 . . 1 . . . A 569 LYS CB . 19317 1 424 . 1 1 34 34 LYS CG C 13 24.964 . . 1 . . . A 569 LYS CG . 19317 1 425 . 1 1 34 34 LYS CD C 13 24.889 . . . . . . A 569 LYS CD . 19317 1 426 . 1 1 34 34 LYS CE C 13 41.787 . . 1 . . . A 569 LYS CE . 19317 1 427 . 1 1 34 34 LYS N N 15 119.630 . . 1 . . . A 569 LYS N . 19317 1 428 . 1 1 35 35 THR H H 1 7.810 . . 1 . . . A 570 THR HN . 19317 1 429 . 1 1 35 35 THR HA H 1 3.960 . . 1 . . . A 570 THR HA . 19317 1 430 . 1 1 35 35 THR HB H 1 4.186 . . 1 . . . A 570 THR HB . 19317 1 431 . 1 1 35 35 THR HG21 H 1 1.314 . . 1 . . . A 570 THR HG21 . 19317 1 432 . 1 1 35 35 THR HG22 H 1 1.314 . . 1 . . . A 570 THR HG22 . 19317 1 433 . 1 1 35 35 THR HG23 H 1 1.314 . . 1 . . . A 570 THR HG23 . 19317 1 434 . 1 1 35 35 THR C C 13 176.752 . . . . . . A 570 THR C . 19317 1 435 . 1 1 35 35 THR CA C 13 66.674 . . 1 . . . A 570 THR CA . 19317 1 436 . 1 1 35 35 THR CB C 13 67.978 . . 1 . . . A 570 THR CB . 19317 1 437 . 1 1 35 35 THR CG2 C 13 23.522 . . . . . . A 570 THR CG2 . 19317 1 438 . 1 1 35 35 THR N N 15 116.903 . . 1 . . . A 570 THR N . 19317 1 439 . 1 1 36 36 ILE H H 1 8.224 . . 1 . . . A 571 ILE HN . 19317 1 440 . 1 1 36 36 ILE HA H 1 3.183 . . 1 . . . A 571 ILE HA . 19317 1 441 . 1 1 36 36 ILE HB H 1 1.711 . . 1 . . . A 571 ILE HB . 19317 1 442 . 1 1 36 36 ILE HG12 H 1 1.900 . . . . . . A 571 ILE HG12 . 19317 1 443 . 1 1 36 36 ILE HG13 H 1 0.390 . . 2 . . . A 571 ILE HG13 . 19317 1 444 . 1 1 36 36 ILE HG21 H 1 0.464 . . . . . . A 571 ILE HG21 . 19317 1 445 . 1 1 36 36 ILE HG22 H 1 0.464 . . . . . . A 571 ILE HG22 . 19317 1 446 . 1 1 36 36 ILE HG23 H 1 0.464 . . . . . . A 571 ILE HG23 . 19317 1 447 . 1 1 36 36 ILE HD11 H 1 0.190 . . 1 . . . A 571 ILE HD11 . 19317 1 448 . 1 1 36 36 ILE HD12 H 1 0.190 . . 1 . . . A 571 ILE HD12 . 19317 1 449 . 1 1 36 36 ILE HD13 H 1 0.190 . . 1 . . . A 571 ILE HD13 . 19317 1 450 . 1 1 36 36 ILE C C 13 177.015 . . . . . . A 571 ILE C . 19317 1 451 . 1 1 36 36 ILE CA C 13 66.716 . . 1 . . . A 571 ILE CA . 19317 1 452 . 1 1 36 36 ILE CB C 13 37.545 . . 1 . . . A 571 ILE CB . 19317 1 453 . 1 1 36 36 ILE CG1 C 13 29.815 . . 1 . . . A 571 ILE CG1 . 19317 1 454 . 1 1 36 36 ILE CG2 C 13 17.854 . . 1 . . . A 571 ILE CG2 . 19317 1 455 . 1 1 36 36 ILE CD1 C 13 13.456 . . 1 . . . A 571 ILE CD1 . 19317 1 456 . 1 1 36 36 ILE N N 15 121.329 . . 1 . . . A 571 ILE N . 19317 1 457 . 1 1 37 37 ALA H H 1 8.288 . . 1 . . . A 572 ALA HN . 19317 1 458 . 1 1 37 37 ALA HA H 1 3.936 . . 1 . . . A 572 ALA HA . 19317 1 459 . 1 1 37 37 ALA HB1 H 1 1.541 . . 1 . . . A 572 ALA HB1 . 19317 1 460 . 1 1 37 37 ALA HB2 H 1 1.541 . . 1 . . . A 572 ALA HB2 . 19317 1 461 . 1 1 37 37 ALA HB3 H 1 1.541 . . 1 . . . A 572 ALA HB3 . 19317 1 462 . 1 1 37 37 ALA C C 13 177.693 . . . . . . A 572 ALA C . 19317 1 463 . 1 1 37 37 ALA CA C 13 54.148 . . 1 . . . A 572 ALA CA . 19317 1 464 . 1 1 37 37 ALA CB C 13 17.831 . . 1 . . . A 572 ALA CB . 19317 1 465 . 1 1 37 37 ALA N N 15 120.820 . . 1 . . . A 572 ALA N . 19317 1 466 . 1 1 38 38 GLU H H 1 7.717 . . 1 . . . A 573 GLU HN . 19317 1 467 . 1 1 38 38 GLU HA H 1 4.027 . . 1 . . . A 573 GLU HA . 19317 1 468 . 1 1 38 38 GLU HB2 H 1 2.024 . . . . . . A 573 GLU HB2 . 19317 1 469 . 1 1 38 38 GLU HB3 H 1 2.186 . . 2 . . . A 573 GLU HB3 . 19317 1 470 . 1 1 38 38 GLU HG2 H 1 2.209 . . . . . . A 573 GLU HG2 . 19317 1 471 . 1 1 38 38 GLU HG3 H 1 2.441 . . 2 . . . A 573 GLU HG3 . 19317 1 472 . 1 1 38 38 GLU C C 13 178.618 . . . . . . A 573 GLU C . 19317 1 473 . 1 1 38 38 GLU CA C 13 58.404 . . 1 . . . A 573 GLU CA . 19317 1 474 . 1 1 38 38 GLU CB C 13 30.103 . . 1 . . . A 573 GLU CB . 19317 1 475 . 1 1 38 38 GLU CG C 13 36.074 . . 1 . . . A 573 GLU CG . 19317 1 476 . 1 1 38 38 GLU N N 15 115.552 . . 1 . . . A 573 GLU N . 19317 1 477 . 1 1 39 39 LEU H H 1 8.201 . . 1 . . . A 574 LEU HN . 19317 1 478 . 1 1 39 39 LEU HA H 1 4.073 . . 1 . . . A 574 LEU HA . 19317 1 479 . 1 1 39 39 LEU HB2 H 1 1.497 . . . . . . A 574 LEU HB2 . 19317 1 480 . 1 1 39 39 LEU HB3 H 1 1.565 . . 2 . . . A 574 LEU HB3 . 19317 1 481 . 1 1 39 39 LEU HD11 H 1 0.795 . . 2 . . . A 574 LEU HD11 . 19317 1 482 . 1 1 39 39 LEU HD12 H 1 0.795 . . 2 . . . A 574 LEU HD12 . 19317 1 483 . 1 1 39 39 LEU HD13 H 1 0.795 . . 2 . . . A 574 LEU HD13 . 19317 1 484 . 1 1 39 39 LEU HD21 H 1 0.695 . . 2 . . . A 574 LEU HD21 . 19317 1 485 . 1 1 39 39 LEU HD22 H 1 0.695 . . 2 . . . A 574 LEU HD22 . 19317 1 486 . 1 1 39 39 LEU HD23 H 1 0.695 . . 2 . . . A 574 LEU HD23 . 19317 1 487 . 1 1 39 39 LEU C C 13 177.167 . . . . . . A 574 LEU C . 19317 1 488 . 1 1 39 39 LEU CA C 13 56.348 . . 1 . . . A 574 LEU CA . 19317 1 489 . 1 1 39 39 LEU CB C 13 43.574 . . 1 . . . A 574 LEU CB . 19317 1 490 . 1 1 39 39 LEU CD1 C 13 24.958 . . . . . . A 574 LEU CD1 . 19317 1 491 . 1 1 39 39 LEU CD2 C 13 24.958 . . . . . . A 574 LEU CD2 . 19317 1 492 . 1 1 39 39 LEU N N 15 119.498 . . 1 . . . A 574 LEU N . 19317 1 493 . 1 1 40 40 ARG H H 1 8.418 . . 1 . . . A 575 ARG HN . 19317 1 494 . 1 1 40 40 ARG HA H 1 3.424 . . 1 . . . A 575 ARG HA . 19317 1 495 . 1 1 40 40 ARG HB2 H 1 1.913 . . . . . . A 575 ARG HB2 . 19317 1 496 . 1 1 40 40 ARG HB3 H 1 1.529 . . 2 . . . A 575 ARG HB3 . 19317 1 497 . 1 1 40 40 ARG HG2 H 1 1.919 . . . . . . A 575 ARG HG2 . 19317 1 498 . 1 1 40 40 ARG HG3 H 1 1.529 . . 2 . . . A 575 ARG HG3 . 19317 1 499 . 1 1 40 40 ARG HD2 H 1 3.178 . . . . . . A 575 ARG HD2 . 19317 1 500 . 1 1 40 40 ARG HD3 H 1 3.148 . . 2 . . . A 575 ARG HD3 . 19317 1 501 . 1 1 40 40 ARG CA C 13 56.700 . . 1 . . . A 575 ARG CA . 19317 1 502 . 1 1 40 40 ARG CB C 13 27.979 . . 1 . . . A 575 ARG CB . 19317 1 503 . 1 1 40 40 ARG N N 15 112.157 . . 1 . . . A 575 ARG N . 19317 1 504 . 1 1 41 41 PRO HA H 1 4.262 . . 1 . . . A 576 PRO HA . 19317 1 505 . 1 1 41 41 PRO HB2 H 1 2.123 . . 2 . . . A 576 PRO HB2 . 19317 1 506 . 1 1 41 41 PRO HB3 H 1 1.798 . . . . . . A 576 PRO HB3 . 19317 1 507 . 1 1 41 41 PRO HG2 H 1 1.807 . . . . . . A 576 PRO HG2 . 19317 1 508 . 1 1 41 41 PRO HG3 H 1 1.731 . . 2 . . . A 576 PRO HG3 . 19317 1 509 . 1 1 41 41 PRO HD2 H 1 3.743 . . . . . . A 576 PRO HD2 . 19317 1 510 . 1 1 41 41 PRO HD3 H 1 3.603 . . 2 . . . A 576 PRO HD3 . 19317 1 511 . 1 1 41 41 PRO C C 13 176.072 . . . . . . A 576 PRO C . 19317 1 512 . 1 1 41 41 PRO CA C 13 62.832 . . 1 . . . A 576 PRO CA . 19317 1 513 . 1 1 41 41 PRO CB C 13 31.712 . . 1 . . . A 576 PRO CB . 19317 1 514 . 1 1 42 42 GLY H H 1 8.520 . . 1 . . . A 577 GLY HN . 19317 1 515 . 1 1 42 42 GLY HA2 H 1 3.645 . . . . . . A 577 GLY HA2 . 19317 1 516 . 1 1 42 42 GLY HA3 H 1 4.338 . . 2 . . . A 577 GLY HA3 . 19317 1 517 . 1 1 42 42 GLY C C 13 173.596 . . . . . . A 577 GLY C . 19317 1 518 . 1 1 42 42 GLY CA C 13 44.302 . . 1 . . . A 577 GLY CA . 19317 1 519 . 1 1 42 42 GLY N N 15 105.613 . . 1 . . . A 577 GLY N . 19317 1 520 . 1 1 43 43 SER H H 1 7.371 . . 1 . . . A 578 SER HN . 19317 1 521 . 1 1 43 43 SER HA H 1 4.260 . . 1 . . . A 578 SER HA . 19317 1 522 . 1 1 43 43 SER HB2 H 1 4.317 . . 2 . . . A 578 SER HB2 . 19317 1 523 . 1 1 43 43 SER HB3 H 1 4.317 . . 2 . . . A 578 SER HB . 19317 1 524 . 1 1 43 43 SER CA C 13 55.926 . . 1 . . . A 578 SER CA . 19317 1 525 . 1 1 43 43 SER CB C 13 66.724 . . 1 . . . A 578 SER CB . 19317 1 526 . 1 1 43 43 SER N N 15 111.416 . . 1 . . . A 578 SER N . 19317 1 527 . 1 1 44 44 HIS HA H 1 3.898 . . 1 . . . A 579 HIS HA . 19317 1 528 . 1 1 44 44 HIS HB2 H 1 3.134 . . . . . . A 579 HIS HB2 . 19317 1 529 . 1 1 44 44 HIS HB3 H 1 3.265 . . 2 . . . A 579 HIS HB3 . 19317 1 530 . 1 1 44 44 HIS HD1 H 1 7.666 . . 1 . . . A 579 HIS HD1 . 19317 1 531 . 1 1 44 44 HIS HD2 H 1 6.870 . . 1 . . . A 579 HIS HD2 . 19317 1 532 . 1 1 44 44 HIS HE1 H 1 7.211 . . 1 . . . A 579 HIS HE1 . 19317 1 533 . 1 1 44 44 HIS C C 13 176.915 . . . . . . A 579 HIS C . 19317 1 534 . 1 1 44 44 HIS CA C 13 61.674 . . 1 . . . A 579 HIS CA . 19317 1 535 . 1 1 44 44 HIS CB C 13 29.831 . . 1 . . . A 579 HIS CB . 19317 1 536 . 1 1 44 44 HIS CD2 C 13 117.096 . . 1 . . . A 579 HIS CD2 . 19317 1 537 . 1 1 44 44 HIS CE1 C 13 130.944 . . 1 . . . A 579 HIS CE1 . 19317 1 538 . 1 1 45 45 ALA H H 1 8.614 . . 1 . . . A 580 ALA HN . 19317 1 539 . 1 1 45 45 ALA HA H 1 3.709 . . 1 . . . A 580 ALA HA . 19317 1 540 . 1 1 45 45 ALA HB1 H 1 1.424 . . 1 . . . A 580 ALA HB1 . 19317 1 541 . 1 1 45 45 ALA HB2 H 1 1.424 . . 1 . . . A 580 ALA HB2 . 19317 1 542 . 1 1 45 45 ALA HB3 H 1 1.424 . . 1 . . . A 580 ALA HB3 . 19317 1 543 . 1 1 45 45 ALA CA C 13 55.239 . . 1 . . . A 580 ALA CA . 19317 1 544 . 1 1 45 45 ALA CB C 13 17.936 . . 1 . . . A 580 ALA CB . 19317 1 545 . 1 1 45 45 ALA N N 15 120.561 . . 1 . . . A 580 ALA N . 19317 1 546 . 1 1 46 46 THR H H 1 7.764 . . 1 . . . A 581 THR HN . 19317 1 547 . 1 1 46 46 THR HA H 1 4.079 . . 1 . . . A 581 THR HA . 19317 1 548 . 1 1 46 46 THR HB H 1 4.009 . . 1 . . . A 581 THR HB . 19317 1 549 . 1 1 46 46 THR HG21 H 1 1.253 . . 1 . . . A 581 THR HG21 . 19317 1 550 . 1 1 46 46 THR HG22 H 1 1.253 . . 1 . . . A 581 THR HG22 . 19317 1 551 . 1 1 46 46 THR HG23 H 1 1.253 . . 1 . . . A 581 THR HG23 . 19317 1 552 . 1 1 46 46 THR C C 13 177.943 . . . . . . A 581 THR C . 19317 1 553 . 1 1 46 46 THR CA C 13 64.843 . . 1 . . . A 581 THR CA . 19317 1 554 . 1 1 46 46 THR CB C 13 68.572 . . 1 . . . A 581 THR CB . 19317 1 555 . 1 1 46 46 THR CG2 C 13 22.761 . . . . . . A 581 THR CG2 . 19317 1 556 . 1 1 46 46 THR N N 15 110.832 . . 1 . . . A 581 THR N . 19317 1 557 . 1 1 47 47 LEU H H 1 8.191 . . 1 . . . A 582 LEU HN . 19317 1 558 . 1 1 47 47 LEU HA H 1 3.944 . . 1 . . . A 582 LEU HA . 19317 1 559 . 1 1 47 47 LEU HB2 H 1 1.281 . . . . . . A 582 LEU HB2 . 19317 1 560 . 1 1 47 47 LEU HB3 H 1 1.907 . . 2 . . . A 582 LEU HB3 . 19317 1 561 . 1 1 47 47 LEU HG H 1 1.443 . . 1 . . . A 582 LEU HG . 19317 1 562 . 1 1 47 47 LEU HD11 H 1 0.757 . . 2 . . . A 582 LEU HD11 . 19317 1 563 . 1 1 47 47 LEU HD12 H 1 0.757 . . 2 . . . A 582 LEU HD12 . 19317 1 564 . 1 1 47 47 LEU HD13 H 1 0.757 . . 2 . . . A 582 LEU HD13 . 19317 1 565 . 1 1 47 47 LEU HD21 H 1 0.636 . . 2 . . . A 582 LEU HD21 . 19317 1 566 . 1 1 47 47 LEU HD22 H 1 0.636 . . 2 . . . A 582 LEU HD22 . 19317 1 567 . 1 1 47 47 LEU HD23 H 1 0.636 . . 2 . . . A 582 LEU HD23 . 19317 1 568 . 1 1 47 47 LEU C C 13 177.008 . . . . . . A 582 LEU C . 19317 1 569 . 1 1 47 47 LEU CA C 13 57.984 . . 1 . . . A 582 LEU CA . 19317 1 570 . 1 1 47 47 LEU CB C 13 41.064 . . 1 . . . A 582 LEU CB . 19317 1 571 . 1 1 47 47 LEU CD1 C 13 27.037 . . . . . . A 582 LEU CD1 . 19317 1 572 . 1 1 47 47 LEU CD2 C 13 27.037 . . . . . . A 582 LEU CD2 . 19317 1 573 . 1 1 47 47 LEU N N 15 125.277 . . 1 . . . A 582 LEU N . 19317 1 574 . 1 1 48 48 GLY H H 1 8.419 . . 1 . . . A 583 GLY HN . 19317 1 575 . 1 1 48 48 GLY HA2 H 1 3.964 . . 2 . . . A 583 GLY HA2 . 19317 1 576 . 1 1 48 48 GLY HA3 H 1 3.964 . . 2 . . . A 583 GLY HA . 19317 1 577 . 1 1 48 48 GLY C C 13 174.504 . . . . . . A 583 GLY C . 19317 1 578 . 1 1 48 48 GLY CA C 13 46.334 . . 1 . . . A 583 GLY CA . 19317 1 579 . 1 1 48 48 GLY N N 15 101.730 . . 1 . . . A 583 GLY N . 19317 1 580 . 1 1 49 49 THR H H 1 7.293 . . 1 . . . A 584 THR HN . 19317 1 581 . 1 1 49 49 THR HA H 1 4.360 . . 1 . . . A 584 THR HA . 19317 1 582 . 1 1 49 49 THR HB H 1 4.377 . . 1 . . . A 584 THR HB . 19317 1 583 . 1 1 49 49 THR HG21 H 1 1.370 . . . . . . A 584 THR HG21 . 19317 1 584 . 1 1 49 49 THR HG22 H 1 1.370 . . . . . . A 584 THR HG22 . 19317 1 585 . 1 1 49 49 THR HG23 H 1 1.370 . . . . . . A 584 THR HG23 . 19317 1 586 . 1 1 49 49 THR C C 13 174.927 . . . . . . A 584 THR C . 19317 1 587 . 1 1 49 49 THR CA C 13 62.244 . . 1 . . . A 584 THR CA . 19317 1 588 . 1 1 49 49 THR CB C 13 69.866 . . 1 . . . A 584 THR CB . 19317 1 589 . 1 1 49 49 THR CG2 C 13 21.169 . . 1 . . . A 584 THR CG2 . 19317 1 590 . 1 1 49 49 THR N N 15 108.629 . . 1 . . . A 584 THR N . 19317 1 591 . 1 1 50 50 VAL H H 1 7.495 . . 1 . . . A 585 VAL HN . 19317 1 592 . 1 1 50 50 VAL HA H 1 3.729 . . 1 . . . A 585 VAL HA . 19317 1 593 . 1 1 50 50 VAL HB H 1 2.176 . . 1 . . . A 585 VAL HB . 19317 1 594 . 1 1 50 50 VAL HG11 H 1 0.948 . . 2 . . . A 585 VAL HG11 . 19317 1 595 . 1 1 50 50 VAL HG12 H 1 0.948 . . 2 . . . A 585 VAL HG12 . 19317 1 596 . 1 1 50 50 VAL HG13 H 1 0.948 . . 2 . . . A 585 VAL HG13 . 19317 1 597 . 1 1 50 50 VAL HG21 H 1 0.905 . . 2 . . . A 585 VAL HG21 . 19317 1 598 . 1 1 50 50 VAL HG22 H 1 0.905 . . 2 . . . A 585 VAL HG22 . 19317 1 599 . 1 1 50 50 VAL HG23 H 1 0.905 . . 2 . . . A 585 VAL HG23 . 19317 1 600 . 1 1 50 50 VAL CA C 13 63.091 . . 1 . . . A 585 VAL CA . 19317 1 601 . 1 1 50 50 VAL CB C 13 31.245 . . 1 . . . A 585 VAL CB . 19317 1 602 . 1 1 50 50 VAL CG1 C 13 22.502 . . . . . . A 585 VAL CG1 . 19317 1 603 . 1 1 50 50 VAL N N 15 124.933 . . 1 . . . A 585 VAL N . 19317 1 604 . 1 1 51 51 SER H H 1 8.961 . . 1 . . . A 586 SER HN . 19317 1 605 . 1 1 51 51 SER HA H 1 4.462 . . 1 . . . A 586 SER HA . 19317 1 606 . 1 1 51 51 SER HB2 H 1 3.881 . . 2 . . . A 586 SER HB2 . 19317 1 607 . 1 1 51 51 SER HB3 H 1 3.881 . . 2 . . . A 586 SER HB . 19317 1 608 . 1 1 51 51 SER C C 13 175.570 . . . . . . A 586 SER C . 19317 1 609 . 1 1 51 51 SER CA C 13 60.384 . . 1 . . . A 586 SER CA . 19317 1 610 . 1 1 51 51 SER CB C 13 62.438 . . 1 . . . A 586 SER CB . 19317 1 611 . 1 1 51 51 SER N N 15 125.196 . . 1 . . . A 586 SER N . 19317 1 612 . 1 1 52 52 GLY H H 1 8.945 . . 1 . . . A 587 GLY HN . 19317 1 613 . 1 1 52 52 GLY HA2 H 1 3.869 . . . . . . A 587 GLY HA2 . 19317 1 614 . 1 1 52 52 GLY HA3 H 1 4.530 . . 2 . . . A 587 GLY HA3 . 19317 1 615 . 1 1 52 52 GLY C C 13 174.724 . . . . . . A 587 GLY C . 19317 1 616 . 1 1 52 52 GLY CA C 13 45.097 . . 1 . . . A 587 GLY CA . 19317 1 617 . 1 1 52 52 GLY N N 15 114.565 . . 1 . . . A 587 GLY N . 19317 1 618 . 1 1 53 53 VAL H H 1 8.126 . . 1 . . . A 588 VAL HN . 19317 1 619 . 1 1 53 53 VAL HA H 1 4.454 . . 1 . . . A 588 VAL HA . 19317 1 620 . 1 1 53 53 VAL HB H 1 2.519 . . 1 . . . A 588 VAL HB . 19317 1 621 . 1 1 53 53 VAL HG11 H 1 0.974 . . 2 . . . A 588 VAL HG11 . 19317 1 622 . 1 1 53 53 VAL HG12 H 1 0.974 . . 2 . . . A 588 VAL HG12 . 19317 1 623 . 1 1 53 53 VAL HG13 H 1 0.974 . . 2 . . . A 588 VAL HG13 . 19317 1 624 . 1 1 53 53 VAL HG21 H 1 0.605 . . 2 . . . A 588 VAL HG21 . 19317 1 625 . 1 1 53 53 VAL HG22 H 1 0.605 . . 2 . . . A 588 VAL HG22 . 19317 1 626 . 1 1 53 53 VAL HG23 H 1 0.605 . . 2 . . . A 588 VAL HG23 . 19317 1 627 . 1 1 53 53 VAL C C 13 174.941 . . . . . . A 588 VAL C . 19317 1 628 . 1 1 53 53 VAL CA C 13 62.313 . . 1 . . . A 588 VAL CA . 19317 1 629 . 1 1 53 53 VAL CB C 13 29.574 . . 1 . . . A 588 VAL CB . 19317 1 630 . 1 1 53 53 VAL CG1 C 13 22.284 . . 2 . . . A 588 VAL CG1 . 19317 1 631 . 1 1 53 53 VAL CG2 C 13 21.377 . . 2 . . . A 588 VAL CG2 . 19317 1 632 . 1 1 53 53 VAL N N 15 122.386 . . 1 . . . A 588 VAL N . 19317 1 633 . 1 1 54 54 GLY H H 1 7.730 . . 1 . . . A 589 GLY HN . 19317 1 634 . 1 1 54 54 GLY HA2 H 1 4.200 . . 2 . . . A 589 GLY HA2 . 19317 1 635 . 1 1 54 54 GLY HA3 H 1 4.200 . . 2 . . . A 589 GLY HA . 19317 1 636 . 1 1 54 54 GLY C C 13 174.401 . . . . . . A 589 GLY C . 19317 1 637 . 1 1 54 54 GLY CA C 13 44.745 . . 1 . . . A 589 GLY CA . 19317 1 638 . 1 1 54 54 GLY N N 15 108.127 . . 1 . . . A 589 GLY N . 19317 1 639 . 1 1 55 55 GLY H H 1 8.676 . . 1 . . . A 590 GLY HN . 19317 1 640 . 1 1 55 55 GLY HA2 H 1 3.744 . . . . . . A 590 GLY HA2 . 19317 1 641 . 1 1 55 55 GLY HA3 H 1 4.086 . . 2 . . . A 590 GLY HA3 . 19317 1 642 . 1 1 55 55 GLY C C 13 176.922 . . . . . . A 590 GLY C . 19317 1 643 . 1 1 55 55 GLY CA C 13 47.768 . . 1 . . . A 590 GLY CA . 19317 1 644 . 1 1 55 55 GLY N N 15 106.445 . . 1 . . . A 590 GLY N . 19317 1 645 . 1 1 56 56 ARG H H 1 8.703 . . 1 . . . A 591 ARG HN . 19317 1 646 . 1 1 56 56 ARG HA H 1 4.165 . . 1 . . . A 591 ARG HA . 19317 1 647 . 1 1 56 56 ARG HB2 H 1 1.936 . . . . . . A 591 ARG HB2 . 19317 1 648 . 1 1 56 56 ARG HB3 H 1 1.869 . . 2 . . . A 591 ARG HB3 . 19317 1 649 . 1 1 56 56 ARG HG2 H 1 1.738 . . . . . . A 591 ARG HG2 . 19317 1 650 . 1 1 56 56 ARG HG3 H 1 1.601 . . 2 . . . A 591 ARG HG3 . 19317 1 651 . 1 1 56 56 ARG HD2 H 1 3.202 . . 2 . . . A 591 ARG HD2 . 19317 1 652 . 1 1 56 56 ARG HD3 H 1 3.202 . . 2 . . . A 591 ARG HD . 19317 1 653 . 1 1 56 56 ARG C C 13 179.785 . . . . . . A 591 ARG C . 19317 1 654 . 1 1 56 56 ARG CA C 13 59.462 . . 1 . . . A 591 ARG CA . 19317 1 655 . 1 1 56 56 ARG CB C 13 29.708 . . 1 . . . A 591 ARG CB . 19317 1 656 . 1 1 56 56 ARG CG C 13 39.975 . . . . . . A 591 ARG CG . 19317 1 657 . 1 1 56 56 ARG CD C 13 40.041 . . 1 . . . A 591 ARG CD . 19317 1 658 . 1 1 56 56 ARG N N 15 123.309 . . 1 . . . A 591 ARG N . 19317 1 659 . 1 1 57 57 LYS H H 1 8.281 . . 1 . . . A 592 LYS HN . 19317 1 660 . 1 1 57 57 LYS HA H 1 3.964 . . 1 . . . A 592 LYS HA . 19317 1 661 . 1 1 57 57 LYS HB2 H 1 1.997 . . . . . . A 592 LYS HB2 . 19317 1 662 . 1 1 57 57 LYS HB3 H 1 2.262 . . 2 . . . A 592 LYS HB3 . 19317 1 663 . 1 1 57 57 LYS HG2 H 1 1.449 . . 2 . . . A 592 LYS HG2 . 19317 1 664 . 1 1 57 57 LYS HG3 H 1 1.449 . . 2 . . . A 592 LYS HG . 19317 1 665 . 1 1 57 57 LYS HD2 H 1 1.621 . . 2 . . . A 592 LYS HD2 . 19317 1 666 . 1 1 57 57 LYS HD3 H 1 1.621 . . 2 . . . A 592 LYS HD . 19317 1 667 . 1 1 57 57 LYS HE2 H 1 3.153 . . . . . . A 592 LYS HE2 . 19317 1 668 . 1 1 57 57 LYS HE3 H 1 3.272 . . 2 . . . A 592 LYS HE3 . 19317 1 669 . 1 1 57 57 LYS C C 13 178.739 . . . . . . A 592 LYS C . 19317 1 670 . 1 1 57 57 LYS CA C 13 59.643 . . 1 . . . A 592 LYS CA . 19317 1 671 . 1 1 57 57 LYS CB C 13 33.012 . . 1 . . . A 592 LYS CB . 19317 1 672 . 1 1 57 57 LYS CG C 13 27.284 . . 1 . . . A 592 LYS CG . 19317 1 673 . 1 1 57 57 LYS N N 15 119.834 . . 1 . . . A 592 LYS N . 19317 1 674 . 1 1 58 58 LEU H H 1 8.479 . . 1 . . . A 593 LEU HN . 19317 1 675 . 1 1 58 58 LEU HA H 1 3.825 . . 1 . . . A 593 LEU HA . 19317 1 676 . 1 1 58 58 LEU HB2 H 1 1.613 . . . . . . A 593 LEU HB2 . 19317 1 677 . 1 1 58 58 LEU HB3 H 1 1.970 . . 2 . . . A 593 LEU HB3 . 19317 1 678 . 1 1 58 58 LEU HG H 1 0.941 . . 1 . . . A 593 LEU HG . 19317 1 679 . 1 1 58 58 LEU HD11 H 1 0.629 . . . . . . A 593 LEU HD11 . 19317 1 680 . 1 1 58 58 LEU HD12 H 1 0.629 . . . . . . A 593 LEU HD12 . 19317 1 681 . 1 1 58 58 LEU HD13 H 1 0.629 . . . . . . A 593 LEU HD13 . 19317 1 682 . 1 1 58 58 LEU HD21 H 1 0.629 . . . . . . A 593 LEU HD21 . 19317 1 683 . 1 1 58 58 LEU HD22 H 1 0.629 . . . . . . A 593 LEU HD22 . 19317 1 684 . 1 1 58 58 LEU HD23 H 1 0.629 . . . . . . A 593 LEU HD23 . 19317 1 685 . 1 1 58 58 LEU C C 13 179.579 . . . . . . A 593 LEU C . 19317 1 686 . 1 1 58 58 LEU CA C 13 58.032 . . 1 . . . A 593 LEU CA . 19317 1 687 . 1 1 58 58 LEU CB C 13 42.119 . . 1 . . . A 593 LEU CB . 19317 1 688 . 1 1 58 58 LEU N N 15 121.057 . . 1 . . . A 593 LEU N . 19317 1 689 . 1 1 59 59 ALA H H 1 7.704 . . 1 . . . A 594 ALA HN . 19317 1 690 . 1 1 59 59 ALA HA H 1 4.148 . . 1 . . . A 594 ALA HA . 19317 1 691 . 1 1 59 59 ALA HB1 H 1 1.460 . . 1 . . . A 594 ALA HB1 . 19317 1 692 . 1 1 59 59 ALA HB2 H 1 1.460 . . 1 . . . A 594 ALA HB2 . 19317 1 693 . 1 1 59 59 ALA HB3 H 1 1.460 . . 1 . . . A 594 ALA HB3 . 19317 1 694 . 1 1 59 59 ALA C C 13 179.542 . . . . . . A 594 ALA C . 19317 1 695 . 1 1 59 59 ALA CA C 13 54.804 . . 1 . . . A 594 ALA CA . 19317 1 696 . 1 1 59 59 ALA CB C 13 18.081 . . 1 . . . A 594 ALA CB . 19317 1 697 . 1 1 59 59 ALA N N 15 120.701 . . 1 . . . A 594 ALA N . 19317 1 698 . 1 1 60 60 ALA H H 1 7.699 . . 1 . . . A 595 ALA HN . 19317 1 699 . 1 1 60 60 ALA HA H 1 4.030 . . 1 . . . A 595 ALA HA . 19317 1 700 . 1 1 60 60 ALA HB1 H 1 0.634 . . 1 . . . A 595 ALA HB1 . 19317 1 701 . 1 1 60 60 ALA HB2 H 1 0.634 . . 1 . . . A 595 ALA HB2 . 19317 1 702 . 1 1 60 60 ALA HB3 H 1 0.634 . . 1 . . . A 595 ALA HB3 . 19317 1 703 . 1 1 60 60 ALA C C 13 179.834 . . . . . . A 595 ALA C . 19317 1 704 . 1 1 60 60 ALA CA C 13 54.702 . . 1 . . . A 595 ALA CA . 19317 1 705 . 1 1 60 60 ALA CB C 13 17.878 . . 1 . . . A 595 ALA CB . 19317 1 706 . 1 1 60 60 ALA N N 15 118.593 . . 1 . . . A 595 ALA N . 19317 1 707 . 1 1 61 61 TYR H H 1 8.204 . . 1 . . . A 596 TYR HN . 19317 1 708 . 1 1 61 61 TYR HA H 1 5.361 . . 1 . . . A 596 TYR HA . 19317 1 709 . 1 1 61 61 TYR HB2 H 1 2.816 . . . . . . A 596 TYR HB2 . 19317 1 710 . 1 1 61 61 TYR HB3 H 1 3.843 . . 2 . . . A 596 TYR HB3 . 19317 1 711 . 1 1 61 61 TYR HD1 H 1 7.031 . . . . . . A 596 TYR HD1 . 19317 1 712 . 1 1 61 61 TYR HD2 H 1 7.031 . . . . . . A 596 TYR HD2 . 19317 1 713 . 1 1 61 61 TYR HE1 H 1 6.541 . . . . . . A 596 TYR HE1 . 19317 1 714 . 1 1 61 61 TYR HE2 H 1 6.541 . . . . . . A 596 TYR HE2 . 19317 1 715 . 1 1 61 61 TYR C C 13 176.882 . . . . . . A 596 TYR C . 19317 1 716 . 1 1 61 61 TYR CA C 13 56.021 . . 1 . . . A 596 TYR CA . 19317 1 717 . 1 1 61 61 TYR CB C 13 40.758 . . 1 . . . A 596 TYR CB . 19317 1 718 . 1 1 61 61 TYR CD1 C 13 132.714 . . . . . . A 596 TYR CD1 . 19317 1 719 . 1 1 61 61 TYR CD2 C 13 132.714 . . . . . . A 596 TYR CD2 . 19317 1 720 . 1 1 61 61 TYR CE1 C 13 117.892 . . . . . . A 596 TYR CE1 . 19317 1 721 . 1 1 61 61 TYR CE2 C 13 117.892 . . . . . . A 596 TYR CE2 . 19317 1 722 . 1 1 61 61 TYR N N 15 112.428 . . 1 . . . A 596 TYR N . 19317 1 723 . 1 1 62 62 GLY H H 1 8.212 . . 1 . . . A 597 GLY HN . 19317 1 724 . 1 1 62 62 GLY HA2 H 1 3.373 . . . . . . A 597 GLY HA2 . 19317 1 725 . 1 1 62 62 GLY HA3 H 1 3.978 . . 2 . . . A 597 GLY HA3 . 19317 1 726 . 1 1 62 62 GLY C C 13 174.011 . . . . . . A 597 GLY C . 19317 1 727 . 1 1 62 62 GLY CA C 13 48.807 . . 1 . . . A 597 GLY CA . 19317 1 728 . 1 1 62 62 GLY N N 15 108.007 . . 1 . . . A 597 GLY N . 19317 1 729 . 1 1 63 63 ASP H H 1 8.589 . . 1 . . . A 598 ASP HN . 19317 1 730 . 1 1 63 63 ASP HA H 1 4.307 . . 1 . . . A 598 ASP HA . 19317 1 731 . 1 1 63 63 ASP HB2 H 1 2.707 . . 2 . . . A 598 ASP HB2 . 19317 1 732 . 1 1 63 63 ASP HB3 H 1 2.707 . . 2 . . . A 598 ASP HB . 19317 1 733 . 1 1 63 63 ASP C C 13 179.400 . . . . . . A 598 ASP C . 19317 1 734 . 1 1 63 63 ASP CA C 13 58.150 . . 1 . . . A 598 ASP CA . 19317 1 735 . 1 1 63 63 ASP CB C 13 39.843 . . 1 . . . A 598 ASP CB . 19317 1 736 . 1 1 63 63 ASP N N 15 119.333 . . 1 . . . A 598 ASP N . 19317 1 737 . 1 1 64 64 GLU H H 1 8.033 . . 1 . . . A 599 GLU HN . 19317 1 738 . 1 1 64 64 GLU HA H 1 3.949 . . 1 . . . A 599 GLU HA . 19317 1 739 . 1 1 64 64 GLU HB2 H 1 2.161 . . 2 . . . A 599 GLU HB2 . 19317 1 740 . 1 1 64 64 GLU HB3 H 1 2.161 . . 2 . . . A 599 GLU HB . 19317 1 741 . 1 1 64 64 GLU HG2 H 1 2.422 . . . . . . A 599 GLU HG2 . 19317 1 742 . 1 1 64 64 GLU HG3 H 1 2.650 . . 2 . . . A 599 GLU HG3 . 19317 1 743 . 1 1 64 64 GLU C C 13 179.061 . . . . . . A 599 GLU C . 19317 1 744 . 1 1 64 64 GLU CA C 13 59.860 . . 1 . . . A 599 GLU CA . 19317 1 745 . 1 1 64 64 GLU CB C 13 29.949 . . 1 . . . A 599 GLU CB . 19317 1 746 . 1 1 64 64 GLU CG C 13 37.734 . . 1 . . . A 599 GLU CG . 19317 1 747 . 1 1 64 64 GLU N N 15 119.736 . . 1 . . . A 599 GLU N . 19317 1 748 . 1 1 65 65 VAL H H 1 7.943 . . 1 . . . A 600 VAL HN . 19317 1 749 . 1 1 65 65 VAL HA H 1 2.611 . . 1 . . . A 600 VAL HA . 19317 1 750 . 1 1 65 65 VAL HB H 1 1.710 . . 1 . . . A 600 VAL HB . 19317 1 751 . 1 1 65 65 VAL HG11 H 1 0.454 . . 2 . . . A 600 VAL HG11 . 19317 1 752 . 1 1 65 65 VAL HG12 H 1 0.454 . . 2 . . . A 600 VAL HG12 . 19317 1 753 . 1 1 65 65 VAL HG13 H 1 0.454 . . 2 . . . A 600 VAL HG13 . 19317 1 754 . 1 1 65 65 VAL HG21 H 1 0.254 . . 2 . . . A 600 VAL HG21 . 19317 1 755 . 1 1 65 65 VAL HG22 H 1 0.254 . . 2 . . . A 600 VAL HG22 . 19317 1 756 . 1 1 65 65 VAL HG23 H 1 0.254 . . 2 . . . A 600 VAL HG23 . 19317 1 757 . 1 1 65 65 VAL C C 13 177.589 . . . . . . A 600 VAL C . 19317 1 758 . 1 1 65 65 VAL CA C 13 66.557 . . 1 . . . A 600 VAL CA . 19317 1 759 . 1 1 65 65 VAL CB C 13 30.962 . . 1 . . . A 600 VAL CB . 19317 1 760 . 1 1 65 65 VAL CG1 C 13 21.678 . . 2 . . . A 600 VAL CG1 . 19317 1 761 . 1 1 65 65 VAL CG2 C 13 22.755 . . 2 . . . A 600 VAL CG2 . 19317 1 762 . 1 1 65 65 VAL N N 15 119.541 . . 1 . . . A 600 VAL N . 19317 1 763 . 1 1 66 66 LEU H H 1 8.236 . . 1 . . . A 601 LEU HN . 19317 1 764 . 1 1 66 66 LEU HA H 1 3.648 . . 1 . . . A 601 LEU HA . 19317 1 765 . 1 1 66 66 LEU HB2 H 1 1.164 . . . . . . A 601 LEU HB2 . 19317 1 766 . 1 1 66 66 LEU HB3 H 1 1.719 . . 2 . . . A 601 LEU HB3 . 19317 1 767 . 1 1 66 66 LEU HG H 1 1.514 . . 1 . . . A 601 LEU HG . 19317 1 768 . 1 1 66 66 LEU HD11 H 1 0.343 . . 2 . . . A 601 LEU HD11 . 19317 1 769 . 1 1 66 66 LEU HD12 H 1 0.343 . . 2 . . . A 601 LEU HD12 . 19317 1 770 . 1 1 66 66 LEU HD13 H 1 0.343 . . 2 . . . A 601 LEU HD13 . 19317 1 771 . 1 1 66 66 LEU HD21 H 1 0.152 . . 2 . . . A 601 LEU HD21 . 19317 1 772 . 1 1 66 66 LEU HD22 H 1 0.152 . . 2 . . . A 601 LEU HD22 . 19317 1 773 . 1 1 66 66 LEU HD23 H 1 0.152 . . 2 . . . A 601 LEU HD23 . 19317 1 774 . 1 1 66 66 LEU C C 13 179.595 . . . . . . A 601 LEU C . 19317 1 775 . 1 1 66 66 LEU CA C 13 57.688 . . 1 . . . A 601 LEU CA . 19317 1 776 . 1 1 66 66 LEU CB C 13 40.360 . . 1 . . . A 601 LEU CB . 19317 1 777 . 1 1 66 66 LEU CG C 13 25.918 . . 1 . . . A 601 LEU CG . 19317 1 778 . 1 1 66 66 LEU CD1 C 13 22.329 . . 2 . . . A 601 LEU CD1 . 19317 1 779 . 1 1 66 66 LEU CD2 C 13 24.568 . . 2 . . . A 601 LEU CD2 . 19317 1 780 . 1 1 66 66 LEU N N 15 117.080 . . 1 . . . A 601 LEU N . 19317 1 781 . 1 1 67 67 GLN H H 1 7.522 . . 1 . . . A 602 GLN HN . 19317 1 782 . 1 1 67 67 GLN HA H 1 3.814 . . 1 . . . A 602 GLN HA . 19317 1 783 . 1 1 67 67 GLN HB2 H 1 2.256 . . 2 . . . A 602 GLN HB2 . 19317 1 784 . 1 1 67 67 GLN HB3 H 1 2.256 . . 2 . . . A 602 GLN HB . 19317 1 785 . 1 1 67 67 GLN HG2 H 1 2.307 . . 2 . . . A 602 GLN HG2 . 19317 1 786 . 1 1 67 67 GLN HG3 H 1 2.307 . . 2 . . . A 602 GLN HG . 19317 1 787 . 1 1 67 67 GLN C C 13 176.797 . . . . . . A 602 GLN C . 19317 1 788 . 1 1 67 67 GLN CA C 13 58.616 . . 1 . . . A 602 GLN CA . 19317 1 789 . 1 1 67 67 GLN CB C 13 27.911 . . 1 . . . A 602 GLN CB . 19317 1 790 . 1 1 67 67 GLN N N 15 120.179 . . 1 . . . A 602 GLN N . 19317 1 791 . 1 1 68 68 VAL H H 1 7.555 . . 1 . . . A 603 VAL HN . 19317 1 792 . 1 1 68 68 VAL HA H 1 3.625 . . 1 . . . A 603 VAL HA . 19317 1 793 . 1 1 68 68 VAL HB H 1 1.948 . . 1 . . . A 603 VAL HB . 19317 1 794 . 1 1 68 68 VAL HG11 H 1 0.825 . . 2 . . . A 603 VAL HG11 . 19317 1 795 . 1 1 68 68 VAL HG12 H 1 0.825 . . 2 . . . A 603 VAL HG12 . 19317 1 796 . 1 1 68 68 VAL HG13 H 1 0.825 . . 2 . . . A 603 VAL HG13 . 19317 1 797 . 1 1 68 68 VAL HG21 H 1 0.727 . . 2 . . . A 603 VAL HG21 . 19317 1 798 . 1 1 68 68 VAL HG22 H 1 0.727 . . 2 . . . A 603 VAL HG22 . 19317 1 799 . 1 1 68 68 VAL HG23 H 1 0.727 . . 2 . . . A 603 VAL HG23 . 19317 1 800 . 1 1 68 68 VAL C C 13 179.235 . . . . . . A 603 VAL C . 19317 1 801 . 1 1 68 68 VAL CA C 13 66.216 . . 1 . . . A 603 VAL CA . 19317 1 802 . 1 1 68 68 VAL CB C 13 31.248 . . 1 . . . A 603 VAL CB . 19317 1 803 . 1 1 68 68 VAL CG1 C 13 22.383 . . . . . . A 603 VAL CG1 . 19317 1 804 . 1 1 68 68 VAL N N 15 120.566 . . 1 . . . A 603 VAL N . 19317 1 805 . 1 1 69 69 VAL H H 1 7.842 . . 1 . . . A 604 VAL HN . 19317 1 806 . 1 1 69 69 VAL HA H 1 3.514 . . 1 . . . A 604 VAL HA . 19317 1 807 . 1 1 69 69 VAL HB H 1 2.109 . . 1 . . . A 604 VAL HB . 19317 1 808 . 1 1 69 69 VAL HG11 H 1 0.851 . . 2 . . . A 604 VAL HG11 . 19317 1 809 . 1 1 69 69 VAL HG12 H 1 0.851 . . 2 . . . A 604 VAL HG12 . 19317 1 810 . 1 1 69 69 VAL HG13 H 1 0.851 . . 2 . . . A 604 VAL HG13 . 19317 1 811 . 1 1 69 69 VAL HG21 H 1 0.687 . . 2 . . . A 604 VAL HG21 . 19317 1 812 . 1 1 69 69 VAL HG22 H 1 0.687 . . 2 . . . A 604 VAL HG22 . 19317 1 813 . 1 1 69 69 VAL HG23 H 1 0.687 . . 2 . . . A 604 VAL HG23 . 19317 1 814 . 1 1 69 69 VAL C C 13 179.489 . . . . . . A 604 VAL C . 19317 1 815 . 1 1 69 69 VAL CA C 13 66.221 . . 1 . . . A 604 VAL CA . 19317 1 816 . 1 1 69 69 VAL CB C 13 31.501 . . 1 . . . A 604 VAL CB . 19317 1 817 . 1 1 69 69 VAL CG1 C 13 21.035 . . . . . . A 604 VAL CG1 . 19317 1 818 . 1 1 69 69 VAL N N 15 117.926 . . 1 . . . A 604 VAL N . 19317 1 819 . 1 1 70 70 ARG H H 1 8.170 . . 1 . . . A 605 ARG HN . 19317 1 820 . 1 1 70 70 ARG HA H 1 4.269 . . 1 . . . A 605 ARG HA . 19317 1 821 . 1 1 70 70 ARG HB2 H 1 2.101 . . . . . . A 605 ARG HB2 . 19317 1 822 . 1 1 70 70 ARG HB3 H 1 1.430 . . 2 . . . A 605 ARG HB3 . 19317 1 823 . 1 1 70 70 ARG HG2 H 1 1.997 . . . . . . A 605 ARG HG2 . 19317 1 824 . 1 1 70 70 ARG HD2 H 1 3.168 . . 2 . . . A 605 ARG HD2 . 19317 1 825 . 1 1 70 70 ARG HD3 H 1 3.168 . . 2 . . . A 605 ARG HD . 19317 1 826 . 1 1 70 70 ARG C C 13 179.042 . . . . . . A 605 ARG C . 19317 1 827 . 1 1 70 70 ARG CA C 13 60.040 . . 1 . . . A 605 ARG CA . 19317 1 828 . 1 1 70 70 ARG CB C 13 30.911 . . 1 . . . A 605 ARG CB . 19317 1 829 . 1 1 70 70 ARG N N 15 121.237 . . 1 . . . A 605 ARG N . 19317 1 830 . 1 1 71 71 ASP H H 1 8.507 . . 1 . . . A 606 ASP HN . 19317 1 831 . 1 1 71 71 ASP HA H 1 4.521 . . 1 . . . A 606 ASP HA . 19317 1 832 . 1 1 71 71 ASP HB2 H 1 2.739 . . 2 . . . A 606 ASP HB2 . 19317 1 833 . 1 1 71 71 ASP HB3 H 1 2.739 . . 2 . . . A 606 ASP HB . 19317 1 834 . 1 1 71 71 ASP C C 13 177.957 . . . . . . A 606 ASP C . 19317 1 835 . 1 1 71 71 ASP CA C 13 56.210 . . 1 . . . A 606 ASP CA . 19317 1 836 . 1 1 71 71 ASP CB C 13 40.419 . . 1 . . . A 606 ASP CB . 19317 1 837 . 1 1 71 71 ASP N N 15 119.059 . . 1 . . . A 606 ASP N . 19317 1 838 . 1 1 72 72 SER H H 1 7.738 . . 1 . . . A 607 SER HN . 19317 1 839 . 1 1 72 72 SER HA H 1 4.525 . . 1 . . . A 607 SER HA . 19317 1 840 . 1 1 72 72 SER HB2 H 1 3.926 . . 2 . . . A 607 SER HB2 . 19317 1 841 . 1 1 72 72 SER HB3 H 1 3.926 . . 2 . . . A 607 SER HB . 19317 1 842 . 1 1 72 72 SER C C 13 174.969 . . . . . . A 607 SER C . 19317 1 843 . 1 1 72 72 SER CA C 13 59.329 . . 1 . . . A 607 SER CA . 19317 1 844 . 1 1 72 72 SER CB C 13 64.121 . . 1 . . . A 607 SER CB . 19317 1 845 . 1 1 72 72 SER N N 15 114.635 . . 1 . . . A 607 SER N . 19317 1 846 . 1 1 73 73 SER H H 1 7.928 . . 1 . . . A 608 SER HN . 19317 1 847 . 1 1 73 73 SER HA H 1 4.511 . . 1 . . . A 608 SER HA . 19317 1 848 . 1 1 73 73 SER HB2 H 1 3.967 . . 2 . . . A 608 SER HB2 . 19317 1 849 . 1 1 73 73 SER HB3 H 1 3.967 . . 2 . . . A 608 SER HB . 19317 1 850 . 1 1 73 73 SER C C 13 174.899 . . . . . . A 608 SER C . 19317 1 851 . 1 1 73 73 SER CA C 13 59.111 . . 1 . . . A 608 SER CA . 19317 1 852 . 1 1 73 73 SER CB C 13 64.052 . . 1 . . . A 608 SER CB . 19317 1 853 . 1 1 73 73 SER N N 15 116.611 . . 1 . . . A 608 SER N . 19317 1 854 . 1 1 74 74 GLY H H 1 8.350 . . 1 . . . A 609 GLY HN . 19317 1 855 . 1 1 74 74 GLY HA2 H 1 4.006 . . . . . . A 609 GLY HA2 . 19317 1 856 . 1 1 74 74 GLY HA3 H 1 4.830 . . 2 . . . A 609 GLY HA3 . 19317 1 857 . 1 1 74 74 GLY C C 13 173.762 . . . . . . A 609 GLY C . 19317 1 858 . 1 1 74 74 GLY CA C 13 45.319 . . 1 . . . A 609 GLY CA . 19317 1 859 . 1 1 74 74 GLY N N 15 110.832 . . 1 . . . A 609 GLY N . 19317 1 860 . 1 1 75 75 GLY H H 1 8.037 . . 1 . . . A 610 GLY HN . 19317 1 861 . 1 1 75 75 GLY HA2 H 1 3.768 . . 2 . . . A 610 GLY HA2 . 19317 1 862 . 1 1 75 75 GLY HA3 H 1 3.768 . . 2 . . . A 610 GLY HA . 19317 1 863 . 1 1 75 75 GLY CA C 13 45.895 . . 1 . . . A 610 GLY CA . 19317 1 864 . 1 1 75 75 GLY N N 15 115.224 . . 1 . . . A 610 GLY N . 19317 1 stop_ save_