data_30135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30135 _Entry.Title ; Structure of the C-terminal Helical Repeat Domain of Elongation Factor 2 Kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-07 _Entry.Accession_date 2016-07-07 _Entry.Last_release_date 2016-09-09 _Entry.Original_release_date 2016-09-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Piserchio A. . . . 30135 2 N. Will N. . . . 30135 3 I. Snyder I. . . . 30135 4 S. Ferguson S. B. . . 30135 5 D. Giles D. H. . . 30135 6 K. Dalby K. N. . . 30135 7 R. Ghose R. . . . 30135 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SEL1 . 30135 TPR . 30135 TRANSFERASE . 30135 eEF2K . 30135 elongation . 30135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 30135 '15N chemical shifts' 109 30135 '1H chemical shifts' 613 30135 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-23 2016-07-07 update BMRB 'update entry citation' 30135 1 . . 2016-09-09 2016-07-07 original author 'original release' 30135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KS5 'BMRB Entry Tracking System' 30135 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30135 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.6b00711 _Citation.PubMed_ID 27571275 _Citation.Full_citation . _Citation.Title ; Structure of the C-terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 38 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 0006-2960 _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 5377 _Citation.Page_last 5386 _Citation.Year 2016 _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 N. Will N. . . . 30135 1 2 A. Piserchio A. . . . 30135 1 3 I. Snyder I. . . . 30135 1 4 S. Ferguson S. B. . . 30135 1 5 D. Giles D. H. . . 30135 1 6 K. Dalby K. N. . . 30135 1 7 R. Ghose R. . . . 30135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30135 _Assembly.ID 1 _Assembly.Name 'Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20)' _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 . . . . . . 30135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30135 _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 ; GSHMSPDRCQDWLEALHWYN TALEMTDCDEGGEYDGMQDE PRYMMLAREAEMLFTGGYGL EKDPQRSGDLYTQAAEAAME AMKGRLANQYYQKAEEAWAQ MEE ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 627-725' _Entity.Mutation . _Entity.EC_number 2.7.11.20 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11856.014 _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 'Calcium/calmodulin-dependent eukaryotic elongation factor 2 kinase' na 30135 1 eEF-2K na 30135 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 1 623 GLY . 30135 1 2 624 SER . 30135 1 3 625 HIS . 30135 1 4 626 MET . 30135 1 5 627 SER . 30135 1 6 628 PRO . 30135 1 7 629 ASP . 30135 1 8 630 ARG . 30135 1 9 631 CYS . 30135 1 10 632 GLN . 30135 1 11 633 ASP . 30135 1 12 634 TRP . 30135 1 13 635 LEU . 30135 1 14 636 GLU . 30135 1 15 637 ALA . 30135 1 16 638 LEU . 30135 1 17 639 HIS . 30135 1 18 640 TRP . 30135 1 19 641 TYR . 30135 1 20 642 ASN . 30135 1 21 643 THR . 30135 1 22 644 ALA . 30135 1 23 645 LEU . 30135 1 24 646 GLU . 30135 1 25 647 MET . 30135 1 26 648 THR . 30135 1 27 649 ASP . 30135 1 28 650 CYS . 30135 1 29 651 ASP . 30135 1 30 652 GLU . 30135 1 31 653 GLY . 30135 1 32 654 GLY . 30135 1 33 655 GLU . 30135 1 34 656 TYR . 30135 1 35 657 ASP . 30135 1 36 658 GLY . 30135 1 37 659 MET . 30135 1 38 660 GLN . 30135 1 39 661 ASP . 30135 1 40 662 GLU . 30135 1 41 663 PRO . 30135 1 42 664 ARG . 30135 1 43 665 TYR . 30135 1 44 666 MET . 30135 1 45 667 MET . 30135 1 46 668 LEU . 30135 1 47 669 ALA . 30135 1 48 670 ARG . 30135 1 49 671 GLU . 30135 1 50 672 ALA . 30135 1 51 673 GLU . 30135 1 52 674 MET . 30135 1 53 675 LEU . 30135 1 54 676 PHE . 30135 1 55 677 THR . 30135 1 56 678 GLY . 30135 1 57 679 GLY . 30135 1 58 680 TYR . 30135 1 59 681 GLY . 30135 1 60 682 LEU . 30135 1 61 683 GLU . 30135 1 62 684 LYS . 30135 1 63 685 ASP . 30135 1 64 686 PRO . 30135 1 65 687 GLN . 30135 1 66 688 ARG . 30135 1 67 689 SER . 30135 1 68 690 GLY . 30135 1 69 691 ASP . 30135 1 70 692 LEU . 30135 1 71 693 TYR . 30135 1 72 694 THR . 30135 1 73 695 GLN . 30135 1 74 696 ALA . 30135 1 75 697 ALA . 30135 1 76 698 GLU . 30135 1 77 699 ALA . 30135 1 78 700 ALA . 30135 1 79 701 MET . 30135 1 80 702 GLU . 30135 1 81 703 ALA . 30135 1 82 704 MET . 30135 1 83 705 LYS . 30135 1 84 706 GLY . 30135 1 85 707 ARG . 30135 1 86 708 LEU . 30135 1 87 709 ALA . 30135 1 88 710 ASN . 30135 1 89 711 GLN . 30135 1 90 712 TYR . 30135 1 91 713 TYR . 30135 1 92 714 GLN . 30135 1 93 715 LYS . 30135 1 94 716 ALA . 30135 1 95 717 GLU . 30135 1 96 718 GLU . 30135 1 97 719 ALA . 30135 1 98 720 TRP . 30135 1 99 721 ALA . 30135 1 100 722 GLN . 30135 1 101 723 MET . 30135 1 102 724 GLU . 30135 1 103 725 GLU . 30135 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 30135 1 . SER 2 2 30135 1 . HIS 3 3 30135 1 . MET 4 4 30135 1 . SER 5 5 30135 1 . PRO 6 6 30135 1 . ASP 7 7 30135 1 . ARG 8 8 30135 1 . CYS 9 9 30135 1 . GLN 10 10 30135 1 . ASP 11 11 30135 1 . TRP 12 12 30135 1 . LEU 13 13 30135 1 . GLU 14 14 30135 1 . ALA 15 15 30135 1 . LEU 16 16 30135 1 . HIS 17 17 30135 1 . TRP 18 18 30135 1 . TYR 19 19 30135 1 . ASN 20 20 30135 1 . THR 21 21 30135 1 . ALA 22 22 30135 1 . LEU 23 23 30135 1 . GLU 24 24 30135 1 . MET 25 25 30135 1 . THR 26 26 30135 1 . ASP 27 27 30135 1 . CYS 28 28 30135 1 . ASP 29 29 30135 1 . GLU 30 30 30135 1 . GLY 31 31 30135 1 . GLY 32 32 30135 1 . GLU 33 33 30135 1 . TYR 34 34 30135 1 . ASP 35 35 30135 1 . GLY 36 36 30135 1 . MET 37 37 30135 1 . GLN 38 38 30135 1 . ASP 39 39 30135 1 . GLU 40 40 30135 1 . PRO 41 41 30135 1 . ARG 42 42 30135 1 . TYR 43 43 30135 1 . MET 44 44 30135 1 . MET 45 45 30135 1 . LEU 46 46 30135 1 . ALA 47 47 30135 1 . ARG 48 48 30135 1 . GLU 49 49 30135 1 . ALA 50 50 30135 1 . GLU 51 51 30135 1 . MET 52 52 30135 1 . LEU 53 53 30135 1 . PHE 54 54 30135 1 . THR 55 55 30135 1 . GLY 56 56 30135 1 . GLY 57 57 30135 1 . TYR 58 58 30135 1 . GLY 59 59 30135 1 . LEU 60 60 30135 1 . GLU 61 61 30135 1 . LYS 62 62 30135 1 . ASP 63 63 30135 1 . PRO 64 64 30135 1 . GLN 65 65 30135 1 . ARG 66 66 30135 1 . SER 67 67 30135 1 . GLY 68 68 30135 1 . ASP 69 69 30135 1 . LEU 70 70 30135 1 . TYR 71 71 30135 1 . THR 72 72 30135 1 . GLN 73 73 30135 1 . ALA 74 74 30135 1 . ALA 75 75 30135 1 . GLU 76 76 30135 1 . ALA 77 77 30135 1 . ALA 78 78 30135 1 . MET 79 79 30135 1 . GLU 80 80 30135 1 . ALA 81 81 30135 1 . MET 82 82 30135 1 . LYS 83 83 30135 1 . GLY 84 84 30135 1 . ARG 85 85 30135 1 . LEU 86 86 30135 1 . ALA 87 87 30135 1 . ASN 88 88 30135 1 . GLN 89 89 30135 1 . TYR 90 90 30135 1 . TYR 91 91 30135 1 . GLN 92 92 30135 1 . LYS 93 93 30135 1 . ALA 94 94 30135 1 . GLU 95 95 30135 1 . GLU 96 96 30135 1 . ALA 97 97 30135 1 . TRP 98 98 30135 1 . ALA 99 99 30135 1 . GLN 100 100 30135 1 . MET 101 101 30135 1 . GLU 102 102 30135 1 . GLU 103 103 30135 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 30135 _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 . . . . . . . . . . . EEF2K . 30135 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 30135 _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' . . 469008 Escherichia coli . . . pET15b . . S3 . . . 30135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30135 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DTT 'natural abundance' . . . . . . 4 . . mM 0.1 . . . 30135 1 2 eEF2K_627-725 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 600 . . uM 30 . . . 30135 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 30135 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30135 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DTT 'natural abundance' . . . . . . 4 . . mM 0.1 . . . 30135 2 2 eEF2K_627-725 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM 25 . . . 30135 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 30135 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30135 _Sample.ID 3 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details '300 uM [U-99% 13C; U-99% 1 eEF2K_627-725, 15 mg/mL Pf1 phage (ASLA Ltd), 50 mM sodium phosphate, 4 mM DTT, 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 DTT 'natural abundance' . . . . . . 4 . . mM 0.1 . . . 30135 3 2 'Pf1 phage (ASLA Ltd)' 'natural abundance' . . . . . . 15 . . mg/mL 1 . . . 30135 3 3 eEF2K_627-725 '[U-99% 13C; U-99% 1' . . 1 $entity_1 . . 300 . . uM 30 . . . 30135 3 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 30135 3 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 30135 _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 30135 1 pH 6.5 . pH 30135 1 pressure 1 . atm 30135 1 temperature 298.15 0.2 K 30135 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30135 _Sample_condition_list.ID 2 _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 30135 2 pH 6.5 . pH* 30135 2 pressure 1 . atm 30135 2 temperature 298.15 0.2 K 30135 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30135 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30135 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30135 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30135 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30135 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30135 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30135 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30135 3 'data analysis' 30135 3 'peak picking' 30135 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30135 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 30135 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30135 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30135 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30135 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30135 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30135 _Software.ID 6 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 30135 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30135 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 30135 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30135 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30135 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30135 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 30135 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30135 _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 Varian INOVA . 600 . . . 30135 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 30135 1 3 NMR_spectrometer_3 Bruker AvanceIII . 700 . . . 30135 1 4 NMR_spectrometer_4 Bruker Avance . 800 . . . 30135 1 5 NMR_spectrometer_5 Bruker AvanceIII . 600 . . . 30135 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 30135 _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 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30135 1 2 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30135 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30135 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30135 1 5 H(CC)CONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30135 1 6 (H)CCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30135 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30135 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30135 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30135 1 10 '3D 1H-15N NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30135 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30135 1 12 '15N IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 30135 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 30135 _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 . . . . . 30135 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30135 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30135 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 30135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 HNCO . . . 30135 1 2 HNCACO . . . 30135 1 3 '3D HNCACB' . . . 30135 1 4 '3D CBCA(CO)NH' . . . 30135 1 5 H(CC)CONH . . . 30135 1 6 (H)CCCONH . . . 30135 1 7 '3D HCCH-TOCSY' . . . 30135 1 8 '3D 1H-15N NOESY' . . . 30135 1 9 '3D 1H-13C NOESY aliphatic' . . . 30135 1 10 '3D 1H-15N NOESY aromatic' . . . 30135 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30135 1 3 $software_3 . . 30135 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 3 3 HIS HA H 1 4.629 0.03 . 1 . . . A 625 HIS HA . 30135 1 2 . 1 1 3 3 HIS HB2 H 1 3.143 0.03 . 2 . . . A 625 HIS HB2 . 30135 1 3 . 1 1 3 3 HIS HB3 H 1 3.004 0.03 . 2 . . . A 625 HIS HB3 . 30135 1 4 . 1 1 3 3 HIS C C 13 174.685 0.30 . 1 . . . A 625 HIS C . 30135 1 5 . 1 1 3 3 HIS CA C 13 55.783 0.30 . 1 . . . A 625 HIS CA . 30135 1 6 . 1 1 3 3 HIS CB C 13 29.152 0.30 . 1 . . . A 625 HIS CB . 30135 1 7 . 1 1 4 4 MET H H 1 8.299 0.02 . 1 . . . A 626 MET H . 30135 1 8 . 1 1 4 4 MET HA H 1 4.439 0.03 . 1 . . . A 626 MET HA . 30135 1 9 . 1 1 4 4 MET HB3 H 1 1.963 0.03 . 2 . . . A 626 MET HB3 . 30135 1 10 . 1 1 4 4 MET HG2 H 1 2.414 0.03 . 1 . . . A 626 MET HG2 . 30135 1 11 . 1 1 4 4 MET HE1 H 1 2.005 0.03 . 1 . . . A 626 MET HE1 . 30135 1 12 . 1 1 4 4 MET HE2 H 1 2.005 0.03 . 1 . . . A 626 MET HE2 . 30135 1 13 . 1 1 4 4 MET HE3 H 1 2.005 0.03 . 1 . . . A 626 MET HE3 . 30135 1 14 . 1 1 4 4 MET C C 13 175.565 0.30 . 1 . . . A 626 MET C . 30135 1 15 . 1 1 4 4 MET CA C 13 55.198 0.30 . 1 . . . A 626 MET CA . 30135 1 16 . 1 1 4 4 MET CB C 13 32.962 0.30 . 1 . . . A 626 MET CB . 30135 1 17 . 1 1 4 4 MET CG C 13 31.608 0.30 . 1 . . . A 626 MET CG . 30135 1 18 . 1 1 4 4 MET CE C 13 17.001 0.30 . 1 . . . A 626 MET CE . 30135 1 19 . 1 1 4 4 MET N N 15 121.337 0.30 . 1 . . . A 626 MET N . 30135 1 20 . 1 1 5 5 SER H H 1 8.312 0.02 . 1 . . . A 627 SER H . 30135 1 21 . 1 1 5 5 SER HA H 1 4.702 0.03 . 1 . . . A 627 SER HA . 30135 1 22 . 1 1 5 5 SER HB2 H 1 3.891 0.03 . 2 . . . A 627 SER HB2 . 30135 1 23 . 1 1 5 5 SER HB3 H 1 3.865 0.03 . 2 . . . A 627 SER HB3 . 30135 1 24 . 1 1 5 5 SER C C 13 173.251 0.30 . 1 . . . A 627 SER C . 30135 1 25 . 1 1 5 5 SER CA C 13 56.345 0.30 . 1 . . . A 627 SER CA . 30135 1 26 . 1 1 5 5 SER CB C 13 63.371 0.30 . 1 . . . A 627 SER CB . 30135 1 27 . 1 1 5 5 SER N N 15 118.377 0.30 . 1 . . . A 627 SER N . 30135 1 28 . 1 1 6 6 PRO HA H 1 4.380 0.03 . 1 . . . A 628 PRO HA . 30135 1 29 . 1 1 6 6 PRO HB2 H 1 2.224 0.03 . 2 . . . A 628 PRO HB2 . 30135 1 30 . 1 1 6 6 PRO HB3 H 1 1.911 0.03 . 2 . . . A 628 PRO HB3 . 30135 1 31 . 1 1 6 6 PRO HG2 H 1 1.955 0.03 . 1 . . . A 628 PRO HG2 . 30135 1 32 . 1 1 6 6 PRO HD2 H 1 3.724 0.03 . 1 . . . A 628 PRO HD2 . 30135 1 33 . 1 1 6 6 PRO C C 13 176.772 0.30 . 1 . . . A 628 PRO C . 30135 1 34 . 1 1 6 6 PRO CA C 13 63.881 0.30 . 1 . . . A 628 PRO CA . 30135 1 35 . 1 1 6 6 PRO CB C 13 31.733 0.30 . 1 . . . A 628 PRO CB . 30135 1 36 . 1 1 6 6 PRO CG C 13 27.369 0.30 . 1 . . . A 628 PRO CG . 30135 1 37 . 1 1 6 6 PRO CD C 13 50.780 0.30 . 1 . . . A 628 PRO CD . 30135 1 38 . 1 1 7 7 ASP H H 1 8.275 0.02 . 1 . . . A 629 ASP H . 30135 1 39 . 1 1 7 7 ASP HA H 1 4.495 0.03 . 1 . . . A 629 ASP HA . 30135 1 40 . 1 1 7 7 ASP HB2 H 1 2.678 0.03 . 2 . . . A 629 ASP HB2 . 30135 1 41 . 1 1 7 7 ASP HB3 H 1 2.593 0.03 . 2 . . . A 629 ASP HB3 . 30135 1 42 . 1 1 7 7 ASP C C 13 176.280 0.30 . 1 . . . A 629 ASP C . 30135 1 43 . 1 1 7 7 ASP CA C 13 54.628 0.30 . 1 . . . A 629 ASP CA . 30135 1 44 . 1 1 7 7 ASP CB C 13 40.726 0.30 . 1 . . . A 629 ASP CB . 30135 1 45 . 1 1 7 7 ASP N N 15 118.420 0.30 . 1 . . . A 629 ASP N . 30135 1 46 . 1 1 8 8 ARG H H 1 7.992 0.02 . 1 . . . A 630 ARG H . 30135 1 47 . 1 1 8 8 ARG HA H 1 4.336 0.03 . 1 . . . A 630 ARG HA . 30135 1 48 . 1 1 8 8 ARG HB2 H 1 1.868 0.03 . 2 . . . A 630 ARG HB2 . 30135 1 49 . 1 1 8 8 ARG HB3 H 1 1.767 0.03 . 2 . . . A 630 ARG HB3 . 30135 1 50 . 1 1 8 8 ARG HG2 H 1 1.585 0.03 . 1 . . . A 630 ARG HG2 . 30135 1 51 . 1 1 8 8 ARG HD2 H 1 3.085 0.03 . 1 . . . A 630 ARG HD2 . 30135 1 52 . 1 1 8 8 ARG C C 13 176.274 0.30 . 1 . . . A 630 ARG C . 30135 1 53 . 1 1 8 8 ARG CA C 13 56.073 0.30 . 1 . . . A 630 ARG CA . 30135 1 54 . 1 1 8 8 ARG CB C 13 30.541 0.30 . 1 . . . A 630 ARG CB . 30135 1 55 . 1 1 8 8 ARG CG C 13 26.893 0.30 . 1 . . . A 630 ARG CG . 30135 1 56 . 1 1 8 8 ARG CD C 13 43.062 0.30 . 1 . . . A 630 ARG CD . 30135 1 57 . 1 1 8 8 ARG N N 15 120.200 0.30 . 1 . . . A 630 ARG N . 30135 1 58 . 1 1 9 9 CYS H H 1 8.264 0.02 . 1 . . . A 631 CYS H . 30135 1 59 . 1 1 9 9 CYS HA H 1 4.348 0.03 . 1 . . . A 631 CYS HA . 30135 1 60 . 1 1 9 9 CYS HB2 H 1 2.923 0.03 . 1 . . . A 631 CYS HB2 . 30135 1 61 . 1 1 9 9 CYS C C 13 174.984 0.30 . 1 . . . A 631 CYS C . 30135 1 62 . 1 1 9 9 CYS CA C 13 59.050 0.30 . 1 . . . A 631 CYS CA . 30135 1 63 . 1 1 9 9 CYS CB C 13 27.644 0.30 . 1 . . . A 631 CYS CB . 30135 1 64 . 1 1 9 9 CYS N N 15 119.559 0.30 . 1 . . . A 631 CYS N . 30135 1 65 . 1 1 10 10 GLN H H 1 8.468 0.02 . 1 . . . A 632 GLN H . 30135 1 66 . 1 1 10 10 GLN HA H 1 4.183 0.03 . 1 . . . A 632 GLN HA . 30135 1 67 . 1 1 10 10 GLN HB2 H 1 1.949 0.03 . 1 . . . A 632 GLN HB2 . 30135 1 68 . 1 1 10 10 GLN HG2 H 1 2.285 0.03 . 2 . . . A 632 GLN HG2 . 30135 1 69 . 1 1 10 10 GLN HG3 H 1 2.318 0.03 . 2 . . . A 632 GLN HG3 . 30135 1 70 . 1 1 10 10 GLN C C 13 176.383 0.30 . 1 . . . A 632 GLN C . 30135 1 71 . 1 1 10 10 GLN CA C 13 56.873 0.30 . 1 . . . A 632 GLN CA . 30135 1 72 . 1 1 10 10 GLN CB C 13 28.840 0.30 . 1 . . . A 632 GLN CB . 30135 1 73 . 1 1 10 10 GLN CG C 13 33.773 0.30 . 1 . . . A 632 GLN CG . 30135 1 74 . 1 1 10 10 GLN N N 15 121.927 0.30 . 1 . . . A 632 GLN N . 30135 1 75 . 1 1 11 11 ASP H H 1 8.248 0.02 . 1 . . . A 633 ASP H . 30135 1 76 . 1 1 11 11 ASP HA H 1 4.500 0.03 . 1 . . . A 633 ASP HA . 30135 1 77 . 1 1 11 11 ASP HB2 H 1 2.655 0.03 . 1 . . . A 633 ASP HB2 . 30135 1 78 . 1 1 11 11 ASP C C 13 177.046 0.30 . 1 . . . A 633 ASP C . 30135 1 79 . 1 1 11 11 ASP CA C 13 55.368 0.30 . 1 . . . A 633 ASP CA . 30135 1 80 . 1 1 11 11 ASP CB C 13 40.679 0.30 . 1 . . . A 633 ASP CB . 30135 1 81 . 1 1 11 11 ASP N N 15 120.738 0.30 . 1 . . . A 633 ASP N . 30135 1 82 . 1 1 12 12 TRP H H 1 7.997 0.02 . 1 . . . A 634 TRP H . 30135 1 83 . 1 1 12 12 TRP HA H 1 4.476 0.03 . 1 . . . A 634 TRP HA . 30135 1 84 . 1 1 12 12 TRP HB2 H 1 3.293 0.03 . 2 . . . A 634 TRP HB2 . 30135 1 85 . 1 1 12 12 TRP HB3 H 1 3.291 0.03 . 2 . . . A 634 TRP HB3 . 30135 1 86 . 1 1 12 12 TRP HD1 H 1 7.211 0.03 . 1 . . . A 634 TRP HD1 . 30135 1 87 . 1 1 12 12 TRP HE1 H 1 10.066 0.03 . 1 . . . A 634 TRP HE1 . 30135 1 88 . 1 1 12 12 TRP HE3 H 1 7.400 0.03 . 1 . . . A 634 TRP HE3 . 30135 1 89 . 1 1 12 12 TRP HZ2 H 1 7.369 0.03 . 1 . . . A 634 TRP HZ2 . 30135 1 90 . 1 1 12 12 TRP HZ3 H 1 6.950 0.03 . 1 . . . A 634 TRP HZ3 . 30135 1 91 . 1 1 12 12 TRP HH2 H 1 7.095 0.03 . 1 . . . A 634 TRP HH2 . 30135 1 92 . 1 1 12 12 TRP C C 13 176.754 0.30 . 1 . . . A 634 TRP C . 30135 1 93 . 1 1 12 12 TRP CA C 13 58.437 0.30 . 1 . . . A 634 TRP CA . 30135 1 94 . 1 1 12 12 TRP CB C 13 28.674 0.30 . 1 . . . A 634 TRP CB . 30135 1 95 . 1 1 12 12 TRP CD1 C 13 126.858 0.30 . 1 . . . A 634 TRP CD1 . 30135 1 96 . 1 1 12 12 TRP CE3 C 13 120.022 0.30 . 1 . . . A 634 TRP CE3 . 30135 1 97 . 1 1 12 12 TRP CZ2 C 13 114.334 0.30 . 1 . . . A 634 TRP CZ2 . 30135 1 98 . 1 1 12 12 TRP CZ3 C 13 121.289 0.30 . 1 . . . A 634 TRP CZ3 . 30135 1 99 . 1 1 12 12 TRP CH2 C 13 124.483 0.30 . 1 . . . A 634 TRP CH2 . 30135 1 100 . 1 1 12 12 TRP N N 15 121.295 0.30 . 1 . . . A 634 TRP N . 30135 1 101 . 1 1 12 12 TRP NE1 N 15 129.206 0.30 . 1 . . . A 634 TRP NE1 . 30135 1 102 . 1 1 13 13 LEU H H 1 7.604 0.02 . 1 . . . A 635 LEU H . 30135 1 103 . 1 1 13 13 LEU HA H 1 3.802 0.03 . 1 . . . A 635 LEU HA . 30135 1 104 . 1 1 13 13 LEU HB2 H 1 1.357 0.03 . 1 . . . A 635 LEU HB2 . 30135 1 105 . 1 1 13 13 LEU HG H 1 1.200 0.03 . 1 . . . A 635 LEU HG . 30135 1 106 . 1 1 13 13 LEU HD11 H 1 0.740 0.03 . 1 . . . A 635 LEU HD11 . 30135 1 107 . 1 1 13 13 LEU HD12 H 1 0.740 0.03 . 2 . . . A 635 LEU HD12 . 30135 1 108 . 1 1 13 13 LEU HD13 H 1 0.740 0.03 . 2 . . . A 635 LEU HD13 . 30135 1 109 . 1 1 13 13 LEU HD21 H 1 0.622 0.03 . 2 . . . A 635 LEU HD21 . 30135 1 110 . 1 1 13 13 LEU HD22 H 1 0.622 0.03 . 2 . . . A 635 LEU HD22 . 30135 1 111 . 1 1 13 13 LEU HD23 H 1 0.622 0.03 . 2 . . . A 635 LEU HD23 . 30135 1 112 . 1 1 13 13 LEU C C 13 178.581 0.30 . 1 . . . A 635 LEU C . 30135 1 113 . 1 1 13 13 LEU CA C 13 56.589 0.30 . 1 . . . A 635 LEU CA . 30135 1 114 . 1 1 13 13 LEU CB C 13 41.689 0.30 . 1 . . . A 635 LEU CB . 30135 1 115 . 1 1 13 13 LEU CG C 13 26.810 0.30 . 1 . . . A 635 LEU CG . 30135 1 116 . 1 1 13 13 LEU CD1 C 13 25.001 0.30 . 2 . . . A 635 LEU CD1 . 30135 1 117 . 1 1 13 13 LEU CD2 C 13 23.720 0.30 . 2 . . . A 635 LEU CD2 . 30135 1 118 . 1 1 13 13 LEU N N 15 121.584 0.30 . 1 . . . A 635 LEU N . 30135 1 119 . 1 1 14 14 GLU H H 1 7.930 0.02 . 1 . . . A 636 GLU H . 30135 1 120 . 1 1 14 14 GLU HA H 1 4.022 0.03 . 1 . . . A 636 GLU HA . 30135 1 121 . 1 1 14 14 GLU HB2 H 1 2.039 0.03 . 1 . . . A 636 GLU HB2 . 30135 1 122 . 1 1 14 14 GLU HG2 H 1 2.261 0.03 . 1 . . . A 636 GLU HG2 . 30135 1 123 . 1 1 14 14 GLU C C 13 177.633 0.30 . 1 . . . A 636 GLU C . 30135 1 124 . 1 1 14 14 GLU CA C 13 57.922 0.30 . 1 . . . A 636 GLU CA . 30135 1 125 . 1 1 14 14 GLU CB C 13 29.472 0.30 . 1 . . . A 636 GLU CB . 30135 1 126 . 1 1 14 14 GLU CG C 13 36.229 0.30 . 1 . . . A 636 GLU CG . 30135 1 127 . 1 1 14 14 GLU N N 15 119.743 0.30 . 1 . . . A 636 GLU N . 30135 1 128 . 1 1 15 15 ALA H H 1 7.835 0.02 . 1 . . . A 637 ALA H . 30135 1 129 . 1 1 15 15 ALA HA H 1 4.109 0.03 . 1 . . . A 637 ALA HA . 30135 1 130 . 1 1 15 15 ALA HB1 H 1 1.410 0.03 . 1 . . . A 637 ALA HB1 . 30135 1 131 . 1 1 15 15 ALA HB2 H 1 1.410 0.03 . 1 . . . A 637 ALA HB2 . 30135 1 132 . 1 1 15 15 ALA HB3 H 1 1.410 0.03 . 1 . . . A 637 ALA HB3 . 30135 1 133 . 1 1 15 15 ALA C C 13 178.594 0.30 . 1 . . . A 637 ALA C . 30135 1 134 . 1 1 15 15 ALA CA C 13 53.654 0.30 . 1 . . . A 637 ALA CA . 30135 1 135 . 1 1 15 15 ALA CB C 13 18.373 0.30 . 1 . . . A 637 ALA CB . 30135 1 136 . 1 1 15 15 ALA N N 15 122.166 0.30 . 1 . . . A 637 ALA N . 30135 1 137 . 1 1 16 16 LEU H H 1 7.818 0.02 . 1 . . . A 638 LEU H . 30135 1 138 . 1 1 16 16 LEU HA H 1 4.112 0.03 . 1 . . . A 638 LEU HA . 30135 1 139 . 1 1 16 16 LEU HB2 H 1 1.478 0.03 . 1 . . . A 638 LEU HB2 . 30135 1 140 . 1 1 16 16 LEU HG H 1 1.522 0.03 . 1 . . . A 638 LEU HG . 30135 1 141 . 1 1 16 16 LEU HD11 H 1 0.764 0.03 . 2 . . . A 638 LEU HD11 . 30135 1 142 . 1 1 16 16 LEU HD12 H 1 0.764 0.03 . 2 . . . A 638 LEU HD12 . 30135 1 143 . 1 1 16 16 LEU HD13 H 1 0.764 0.03 . 2 . . . A 638 LEU HD13 . 30135 1 144 . 1 1 16 16 LEU HD21 H 1 0.744 0.03 . 2 . . . A 638 LEU HD21 . 30135 1 145 . 1 1 16 16 LEU HD22 H 1 0.744 0.03 . 2 . . . A 638 LEU HD22 . 30135 1 146 . 1 1 16 16 LEU HD23 H 1 0.744 0.03 . 2 . . . A 638 LEU HD23 . 30135 1 147 . 1 1 16 16 LEU C C 13 177.851 0.30 . 1 . . . A 638 LEU C . 30135 1 148 . 1 1 16 16 LEU CA C 13 56.129 0.30 . 1 . . . A 638 LEU CA . 30135 1 149 . 1 1 16 16 LEU CB C 13 41.689 0.30 . 1 . . . A 638 LEU CB . 30135 1 150 . 1 1 16 16 LEU CG C 13 26.851 0.30 . 1 . . . A 638 LEU CG . 30135 1 151 . 1 1 16 16 LEU CD1 C 13 24.682 0.30 . 2 . . . A 638 LEU CD1 . 30135 1 152 . 1 1 16 16 LEU CD2 C 13 23.577 0.30 . 2 . . . A 638 LEU CD2 . 30135 1 153 . 1 1 16 16 LEU N N 15 118.957 0.30 . 1 . . . A 638 LEU N . 30135 1 154 . 1 1 17 17 HIS H H 1 7.986 0.02 . 1 . . . A 639 HIS H . 30135 1 155 . 1 1 17 17 HIS HA H 1 4.467 0.03 . 1 . . . A 639 HIS HA . 30135 1 156 . 1 1 17 17 HIS HB2 H 1 3.147 0.03 . 2 . . . A 639 HIS HB2 . 30135 1 157 . 1 1 17 17 HIS HB3 H 1 3.079 0.03 . 2 . . . A 639 HIS HB3 . 30135 1 158 . 1 1 17 17 HIS HD2 H 1 6.986 0.03 . 1 . . . A 639 HIS HD2 . 30135 1 159 . 1 1 17 17 HIS C C 13 175.764 0.30 . 1 . . . A 639 HIS C . 30135 1 160 . 1 1 17 17 HIS CA C 13 56.678 0.30 . 1 . . . A 639 HIS CA . 30135 1 161 . 1 1 17 17 HIS CB C 13 29.082 0.30 . 1 . . . A 639 HIS CB . 30135 1 162 . 1 1 17 17 HIS CD2 C 13 120.195 0.30 . 1 . . . A 639 HIS CD2 . 30135 1 163 . 1 1 17 17 HIS N N 15 117.561 0.30 . 1 . . . A 639 HIS N . 30135 1 164 . 1 1 18 18 TRP H H 1 7.920 0.02 . 1 . . . A 640 TRP H . 30135 1 165 . 1 1 18 18 TRP HA H 1 4.459 0.03 . 1 . . . A 640 TRP HA . 30135 1 166 . 1 1 18 18 TRP HB2 H 1 3.214 0.03 . 2 . . . A 640 TRP HB2 . 30135 1 167 . 1 1 18 18 TRP HB3 H 1 3.203 0.03 . 2 . . . A 640 TRP HB3 . 30135 1 168 . 1 1 18 18 TRP HD1 H 1 7.097 0.03 . 1 . . . A 640 TRP HD1 . 30135 1 169 . 1 1 18 18 TRP HE1 H 1 10.135 0.03 . 1 . . . A 640 TRP HE1 . 30135 1 170 . 1 1 18 18 TRP HE3 H 1 7.417 0.03 . 1 . . . A 640 TRP HE3 . 30135 1 171 . 1 1 18 18 TRP HZ2 H 1 7.411 0.03 . 1 . . . A 640 TRP HZ2 . 30135 1 172 . 1 1 18 18 TRP HZ3 H 1 7.035 0.03 . 1 . . . A 640 TRP HZ3 . 30135 1 173 . 1 1 18 18 TRP HH2 H 1 7.136 0.03 . 1 . . . A 640 TRP HH2 . 30135 1 174 . 1 1 18 18 TRP C C 13 176.480 0.30 . 1 . . . A 640 TRP C . 30135 1 175 . 1 1 18 18 TRP CA C 13 58.025 0.30 . 1 . . . A 640 TRP CA . 30135 1 176 . 1 1 18 18 TRP CB C 13 29.129 0.30 . 1 . . . A 640 TRP CB . 30135 1 177 . 1 1 18 18 TRP CD1 C 13 127.254 0.30 . 1 . . . A 640 TRP CD1 . 30135 1 178 . 1 1 18 18 TRP CE3 C 13 120.699 0.30 . 1 . . . A 640 TRP CE3 . 30135 1 179 . 1 1 18 18 TRP CZ2 C 13 114.637 0.30 . 1 . . . A 640 TRP CZ2 . 30135 1 180 . 1 1 18 18 TRP CZ3 C 13 120.507 0.30 . 1 . . . A 640 TRP CZ3 . 30135 1 181 . 1 1 18 18 TRP CH2 C 13 124.548 0.30 . 1 . . . A 640 TRP CH2 . 30135 1 182 . 1 1 18 18 TRP N N 15 120.491 0.30 . 1 . . . A 640 TRP N . 30135 1 183 . 1 1 18 18 TRP NE1 N 15 129.169 0.30 . 1 . . . A 640 TRP NE1 . 30135 1 184 . 1 1 19 19 TYR H H 1 7.827 0.02 . 1 . . . A 641 TYR H . 30135 1 185 . 1 1 19 19 TYR HA H 1 4.252 0.03 . 1 . . . A 641 TYR HA . 30135 1 186 . 1 1 19 19 TYR HB2 H 1 2.915 0.03 . 2 . . . A 641 TYR HB2 . 30135 1 187 . 1 1 19 19 TYR HB3 H 1 2.817 0.03 . 2 . . . A 641 TYR HB3 . 30135 1 188 . 1 1 19 19 TYR HD2 H 1 6.940 0.03 . 3 . . . A 641 TYR HD2 . 30135 1 189 . 1 1 19 19 TYR HE2 H 1 6.737 0.03 . 3 . . . A 641 TYR HE2 . 30135 1 190 . 1 1 19 19 TYR C C 13 175.643 0.30 . 1 . . . A 641 TYR C . 30135 1 191 . 1 1 19 19 TYR CA C 13 58.676 0.30 . 1 . . . A 641 TYR CA . 30135 1 192 . 1 1 19 19 TYR CB C 13 38.297 0.30 . 1 . . . A 641 TYR CB . 30135 1 193 . 1 1 19 19 TYR CD2 C 13 133.263 0.30 . 3 . . . A 641 TYR CD2 . 30135 1 194 . 1 1 19 19 TYR CE2 C 13 118.205 0.30 . 3 . . . A 641 TYR CE2 . 30135 1 195 . 1 1 19 19 TYR N N 15 120.205 0.30 . 1 . . . A 641 TYR N . 30135 1 196 . 1 1 20 20 ASN H H 1 8.110 0.02 . 1 . . . A 642 ASN H . 30135 1 197 . 1 1 20 20 ASN HA H 1 4.571 0.03 . 1 . . . A 642 ASN HA . 30135 1 198 . 1 1 20 20 ASN HB2 H 1 2.818 0.03 . 2 . . . A 642 ASN HB2 . 30135 1 199 . 1 1 20 20 ASN HB3 H 1 2.719 0.03 . 2 . . . A 642 ASN HB3 . 30135 1 200 . 1 1 20 20 ASN HD21 H 1 7.568 0.03 . 1 . . . A 642 ASN HD21 . 30135 1 201 . 1 1 20 20 ASN HD22 H 1 6.906 0.03 . 1 . . . A 642 ASN HD22 . 30135 1 202 . 1 1 20 20 ASN C C 13 175.810 0.30 . 1 . . . A 642 ASN C . 30135 1 203 . 1 1 20 20 ASN CA C 13 53.720 0.30 . 1 . . . A 642 ASN CA . 30135 1 204 . 1 1 20 20 ASN CB C 13 38.709 0.30 . 1 . . . A 642 ASN CB . 30135 1 205 . 1 1 20 20 ASN N N 15 118.858 0.30 . 1 . . . A 642 ASN N . 30135 1 206 . 1 1 20 20 ASN ND2 N 15 111.711 0.30 . 1 . . . A 642 ASN ND2 . 30135 1 207 . 1 1 21 21 THR H H 1 7.930 0.02 . 1 . . . A 643 THR H . 30135 1 208 . 1 1 21 21 THR HA H 1 4.177 0.03 . 1 . . . A 643 THR HA . 30135 1 209 . 1 1 21 21 THR HB H 1 4.214 0.03 . 1 . . . A 643 THR HB . 30135 1 210 . 1 1 21 21 THR HG21 H 1 1.165 0.03 . 1 . . . A 643 THR HG21 . 30135 1 211 . 1 1 21 21 THR HG22 H 1 1.165 0.03 . 1 . . . A 643 THR HG22 . 30135 1 212 . 1 1 21 21 THR HG23 H 1 1.165 0.03 . 1 . . . A 643 THR HG23 . 30135 1 213 . 1 1 21 21 THR C C 13 174.607 0.30 . 1 . . . A 643 THR C . 30135 1 214 . 1 1 21 21 THR CA C 13 62.726 0.30 . 1 . . . A 643 THR CA . 30135 1 215 . 1 1 21 21 THR CB C 13 69.547 0.30 . 1 . . . A 643 THR CB . 30135 1 216 . 1 1 21 21 THR CG2 C 13 21.460 0.30 . 1 . . . A 643 THR CG2 . 30135 1 217 . 1 1 21 21 THR N N 15 113.817 0.30 . 1 . . . A 643 THR N . 30135 1 218 . 1 1 22 22 ALA H H 1 8.065 0.02 . 1 . . . A 644 ALA H . 30135 1 219 . 1 1 22 22 ALA HA H 1 4.217 0.03 . 1 . . . A 644 ALA HA . 30135 1 220 . 1 1 22 22 ALA HB1 H 1 1.249 0.03 . 1 . . . A 644 ALA HB1 . 30135 1 221 . 1 1 22 22 ALA HB2 H 1 1.249 0.03 . 1 . . . A 644 ALA HB2 . 30135 1 222 . 1 1 22 22 ALA HB3 H 1 1.249 0.03 . 1 . . . A 644 ALA HB3 . 30135 1 223 . 1 1 22 22 ALA C C 13 177.882 0.30 . 1 . . . A 644 ALA C . 30135 1 224 . 1 1 22 22 ALA CA C 13 52.903 0.30 . 1 . . . A 644 ALA CA . 30135 1 225 . 1 1 22 22 ALA CB C 13 18.516 0.30 . 1 . . . A 644 ALA CB . 30135 1 226 . 1 1 22 22 ALA N N 15 125.092 0.30 . 1 . . . A 644 ALA N . 30135 1 227 . 1 1 23 23 LEU H H 1 7.867 0.02 . 1 . . . A 645 LEU H . 30135 1 228 . 1 1 23 23 LEU HA H 1 4.219 0.03 . 1 . . . A 645 LEU HA . 30135 1 229 . 1 1 23 23 LEU HB2 H 1 1.592 0.03 . 2 . . . A 645 LEU HB2 . 30135 1 230 . 1 1 23 23 LEU HB3 H 1 1.577 0.03 . 2 . . . A 645 LEU HB3 . 30135 1 231 . 1 1 23 23 LEU HG H 1 1.552 0.03 . 1 . . . A 645 LEU HG . 30135 1 232 . 1 1 23 23 LEU HD11 H 1 0.868 0.03 . 2 . . . A 645 LEU HD11 . 30135 1 233 . 1 1 23 23 LEU HD12 H 1 0.868 0.03 . 2 . . . A 645 LEU HD12 . 30135 1 234 . 1 1 23 23 LEU HD13 H 1 0.868 0.03 . 2 . . . A 645 LEU HD13 . 30135 1 235 . 1 1 23 23 LEU HD21 H 1 0.821 0.03 . 2 . . . A 645 LEU HD21 . 30135 1 236 . 1 1 23 23 LEU HD22 H 1 0.821 0.03 . 2 . . . A 645 LEU HD22 . 30135 1 237 . 1 1 23 23 LEU HD23 H 1 0.821 0.03 . 2 . . . A 645 LEU HD23 . 30135 1 238 . 1 1 23 23 LEU C C 13 177.385 0.30 . 1 . . . A 645 LEU C . 30135 1 239 . 1 1 23 23 LEU CA C 13 55.456 0.30 . 1 . . . A 645 LEU CA . 30135 1 240 . 1 1 23 23 LEU CB C 13 42.259 0.30 . 1 . . . A 645 LEU CB . 30135 1 241 . 1 1 23 23 LEU CG C 13 27.027 0.30 . 1 . . . A 645 LEU CG . 30135 1 242 . 1 1 23 23 LEU CD1 C 13 25.049 0.30 . 2 . . . A 645 LEU CD1 . 30135 1 243 . 1 1 23 23 LEU CD2 C 13 23.646 0.30 . 2 . . . A 645 LEU CD2 . 30135 1 244 . 1 1 23 23 LEU N N 15 119.912 0.30 . 1 . . . A 645 LEU N . 30135 1 245 . 1 1 24 24 GLU H H 1 8.184 0.02 . 1 . . . A 646 GLU H . 30135 1 246 . 1 1 24 24 GLU HA H 1 4.240 0.03 . 1 . . . A 646 GLU HA . 30135 1 247 . 1 1 24 24 GLU HB2 H 1 2.063 0.03 . 2 . . . A 646 GLU HB2 . 30135 1 248 . 1 1 24 24 GLU HB3 H 1 1.958 0.03 . 2 . . . A 646 GLU HB3 . 30135 1 249 . 1 1 24 24 GLU HG2 H 1 2.267 0.03 . 1 . . . A 646 GLU HG2 . 30135 1 250 . 1 1 24 24 GLU C C 13 176.381 0.30 . 1 . . . A 646 GLU C . 30135 1 251 . 1 1 24 24 GLU CA C 13 56.597 0.30 . 1 . . . A 646 GLU CA . 30135 1 252 . 1 1 24 24 GLU CB C 13 30.097 0.30 . 1 . . . A 646 GLU CB . 30135 1 253 . 1 1 24 24 GLU CG C 13 35.948 0.30 . 1 . . . A 646 GLU CG . 30135 1 254 . 1 1 24 24 GLU N N 15 120.268 0.30 . 1 . . . A 646 GLU N . 30135 1 255 . 1 1 25 25 MET H H 1 8.240 0.02 . 1 . . . A 647 MET H . 30135 1 256 . 1 1 25 25 MET HA H 1 4.528 0.03 . 1 . . . A 647 MET HA . 30135 1 257 . 1 1 25 25 MET HB2 H 1 2.050 0.03 . 1 . . . A 647 MET HB2 . 30135 1 258 . 1 1 25 25 MET HG2 H 1 2.574 0.03 . 2 . . . A 647 MET HG2 . 30135 1 259 . 1 1 25 25 MET HG3 H 1 2.483 0.03 . 2 . . . A 647 MET HG3 . 30135 1 260 . 1 1 25 25 MET HE1 H 1 2.078 0.03 . 1 . . . A 647 MET HE1 . 30135 1 261 . 1 1 25 25 MET HE2 H 1 2.078 0.03 . 1 . . . A 647 MET HE2 . 30135 1 262 . 1 1 25 25 MET HE3 H 1 2.078 0.03 . 1 . . . A 647 MET HE3 . 30135 1 263 . 1 1 25 25 MET C C 13 176.220 0.30 . 1 . . . A 647 MET C . 30135 1 264 . 1 1 25 25 MET CA C 13 55.487 0.30 . 1 . . . A 647 MET CA . 30135 1 265 . 1 1 25 25 MET CB C 13 32.790 0.30 . 1 . . . A 647 MET CB . 30135 1 266 . 1 1 25 25 MET CG C 13 31.834 0.30 . 1 . . . A 647 MET CG . 30135 1 267 . 1 1 25 25 MET CE C 13 17.184 0.30 . 1 . . . A 647 MET CE . 30135 1 268 . 1 1 25 25 MET N N 15 120.621 0.30 . 1 . . . A 647 MET N . 30135 1 269 . 1 1 26 26 THR H H 1 8.116 0.02 . 1 . . . A 648 THR H . 30135 1 270 . 1 1 26 26 THR HA H 1 4.387 0.03 . 1 . . . A 648 THR HA . 30135 1 271 . 1 1 26 26 THR HB H 1 4.255 0.03 . 1 . . . A 648 THR HB . 30135 1 272 . 1 1 26 26 THR HG21 H 1 1.204 0.03 . 1 . . . A 648 THR HG21 . 30135 1 273 . 1 1 26 26 THR HG22 H 1 1.204 0.03 . 1 . . . A 648 THR HG22 . 30135 1 274 . 1 1 26 26 THR HG23 H 1 1.204 0.03 . 1 . . . A 648 THR HG23 . 30135 1 275 . 1 1 26 26 THR C C 13 174.165 0.30 . 1 . . . A 648 THR C . 30135 1 276 . 1 1 26 26 THR CA C 13 61.810 0.30 . 1 . . . A 648 THR CA . 30135 1 277 . 1 1 26 26 THR CB C 13 69.971 0.30 . 1 . . . A 648 THR CB . 30135 1 278 . 1 1 26 26 THR CG2 C 13 21.261 0.30 . 1 . . . A 648 THR CG2 . 30135 1 279 . 1 1 26 26 THR N N 15 114.479 0.30 . 1 . . . A 648 THR N . 30135 1 280 . 1 1 27 27 ASP H H 1 8.412 0.02 . 1 . . . A 649 ASP H . 30135 1 281 . 1 1 27 27 ASP HA H 1 4.663 0.03 . 1 . . . A 649 ASP HA . 30135 1 282 . 1 1 27 27 ASP HB2 H 1 2.747 0.03 . 2 . . . A 649 ASP HB2 . 30135 1 283 . 1 1 27 27 ASP HB3 H 1 2.655 0.03 . 2 . . . A 649 ASP HB3 . 30135 1 284 . 1 1 27 27 ASP C C 13 175.960 0.30 . 1 . . . A 649 ASP C . 30135 1 285 . 1 1 27 27 ASP CA C 13 54.410 0.30 . 1 . . . A 649 ASP CA . 30135 1 286 . 1 1 27 27 ASP CB C 13 41.090 0.30 . 1 . . . A 649 ASP CB . 30135 1 287 . 1 1 27 27 ASP N N 15 122.344 0.30 . 1 . . . A 649 ASP N . 30135 1 288 . 1 1 28 28 CYS H H 1 8.278 0.02 . 1 . . . A 650 CYS H . 30135 1 289 . 1 1 28 28 CYS HA H 1 4.531 0.03 . 1 . . . A 650 CYS HA . 30135 1 290 . 1 1 28 28 CYS HB2 H 1 2.925 0.03 . 2 . . . A 650 CYS HB2 . 30135 1 291 . 1 1 28 28 CYS HB3 H 1 2.932 0.03 . 2 . . . A 650 CYS HB3 . 30135 1 292 . 1 1 28 28 CYS C C 13 174.126 0.30 . 1 . . . A 650 CYS C . 30135 1 293 . 1 1 28 28 CYS CA C 13 58.204 0.30 . 1 . . . A 650 CYS CA . 30135 1 294 . 1 1 28 28 CYS CB C 13 28.286 0.30 . 1 . . . A 650 CYS CB . 30135 1 295 . 1 1 28 28 CYS N N 15 118.958 0.30 . 1 . . . A 650 CYS N . 30135 1 296 . 1 1 29 29 ASP H H 1 8.493 0.02 . 1 . . . A 651 ASP H . 30135 1 297 . 1 1 29 29 ASP HA H 1 4.673 0.03 . 1 . . . A 651 ASP HA . 30135 1 298 . 1 1 29 29 ASP HB2 H 1 2.691 0.03 . 2 . . . A 651 ASP HB2 . 30135 1 299 . 1 1 29 29 ASP HB3 H 1 2.751 0.03 . 2 . . . A 651 ASP HB3 . 30135 1 300 . 1 1 29 29 ASP C C 13 176.239 0.30 . 1 . . . A 651 ASP C . 30135 1 301 . 1 1 29 29 ASP CA C 13 54.442 0.30 . 1 . . . A 651 ASP CA . 30135 1 302 . 1 1 29 29 ASP CB C 13 41.284 0.30 . 1 . . . A 651 ASP CB . 30135 1 303 . 1 1 29 29 ASP N N 15 123.101 0.30 . 1 . . . A 651 ASP N . 30135 1 304 . 1 1 30 30 GLU H H 1 8.455 0.02 . 1 . . . A 652 GLU H . 30135 1 305 . 1 1 30 30 GLU HA H 1 4.332 0.03 . 1 . . . A 652 GLU HA . 30135 1 306 . 1 1 30 30 GLU HB2 H 1 2.147 0.03 . 2 . . . A 652 GLU HB2 . 30135 1 307 . 1 1 30 30 GLU HB3 H 1 1.972 0.03 . 2 . . . A 652 GLU HB3 . 30135 1 308 . 1 1 30 30 GLU HG2 H 1 2.300 0.03 . 2 . . . A 652 GLU HG2 . 30135 1 309 . 1 1 30 30 GLU HG3 H 1 2.293 0.03 . 2 . . . A 652 GLU HG3 . 30135 1 310 . 1 1 30 30 GLU C C 13 177.053 0.30 . 1 . . . A 652 GLU C . 30135 1 311 . 1 1 30 30 GLU CA C 13 56.824 0.30 . 1 . . . A 652 GLU CA . 30135 1 312 . 1 1 30 30 GLU CB C 13 30.186 0.30 . 1 . . . A 652 GLU CB . 30135 1 313 . 1 1 30 30 GLU CG C 13 36.249 0.30 . 1 . . . A 652 GLU CG . 30135 1 314 . 1 1 30 30 GLU N N 15 121.805 0.30 . 1 . . . A 652 GLU N . 30135 1 315 . 1 1 31 31 GLY H H 1 8.563 0.02 . 1 . . . A 653 GLY H . 30135 1 316 . 1 1 31 31 GLY HA2 H 1 4.010 0.03 . 1 . . . A 653 GLY HA2 . 30135 1 317 . 1 1 31 31 GLY C C 13 174.697 0.30 . 1 . . . A 653 GLY C . 30135 1 318 . 1 1 31 31 GLY CA C 13 45.482 0.30 . 1 . . . A 653 GLY CA . 30135 1 319 . 1 1 31 31 GLY N N 15 109.831 0.30 . 1 . . . A 653 GLY N . 30135 1 320 . 1 1 32 32 GLY H H 1 8.264 0.02 . 1 . . . A 654 GLY H . 30135 1 321 . 1 1 32 32 GLY HA2 H 1 4.018 0.03 . 2 . . . A 654 GLY HA2 . 30135 1 322 . 1 1 32 32 GLY HA3 H 1 3.923 0.03 . 2 . . . A 654 GLY HA3 . 30135 1 323 . 1 1 32 32 GLY C C 13 174.099 0.30 . 1 . . . A 654 GLY C . 30135 1 324 . 1 1 32 32 GLY CA C 13 45.212 0.30 . 1 . . . A 654 GLY CA . 30135 1 325 . 1 1 32 32 GLY N N 15 108.690 0.30 . 1 . . . A 654 GLY N . 30135 1 326 . 1 1 33 33 GLU H H 1 8.388 0.02 . 1 . . . A 655 GLU H . 30135 1 327 . 1 1 33 33 GLU HA H 1 4.269 0.03 . 1 . . . A 655 GLU HA . 30135 1 328 . 1 1 33 33 GLU HB2 H 1 1.875 0.03 . 1 . . . A 655 GLU HB2 . 30135 1 329 . 1 1 33 33 GLU HG2 H 1 2.164 0.03 . 1 . . . A 655 GLU HG2 . 30135 1 330 . 1 1 33 33 GLU C C 13 176.215 0.30 . 1 . . . A 655 GLU C . 30135 1 331 . 1 1 33 33 GLU CA C 13 56.550 0.30 . 1 . . . A 655 GLU CA . 30135 1 332 . 1 1 33 33 GLU CB C 13 30.178 0.30 . 1 . . . A 655 GLU CB . 30135 1 333 . 1 1 33 33 GLU CG C 13 36.005 0.30 . 1 . . . A 655 GLU CG . 30135 1 334 . 1 1 33 33 GLU N N 15 120.413 0.30 . 1 . . . A 655 GLU N . 30135 1 335 . 1 1 34 34 TYR H H 1 8.286 0.02 . 1 . . . A 656 TYR H . 30135 1 336 . 1 1 34 34 TYR HA H 1 4.642 0.03 . 1 . . . A 656 TYR HA . 30135 1 337 . 1 1 34 34 TYR HB2 H 1 3.072 0.03 . 2 . . . A 656 TYR HB2 . 30135 1 338 . 1 1 34 34 TYR HB3 H 1 2.959 0.03 . 2 . . . A 656 TYR HB3 . 30135 1 339 . 1 1 34 34 TYR HD2 H 1 7.077 0.03 . 3 . . . A 656 TYR HD2 . 30135 1 340 . 1 1 34 34 TYR HE2 H 1 6.789 0.03 . 3 . . . A 656 TYR HE2 . 30135 1 341 . 1 1 34 34 TYR C C 13 175.526 0.30 . 1 . . . A 656 TYR C . 30135 1 342 . 1 1 34 34 TYR CA C 13 57.445 0.30 . 1 . . . A 656 TYR CA . 30135 1 343 . 1 1 34 34 TYR CB C 13 38.594 0.30 . 1 . . . A 656 TYR CB . 30135 1 344 . 1 1 34 34 TYR CD2 C 13 133.175 0.30 . 3 . . . A 656 TYR CD2 . 30135 1 345 . 1 1 34 34 TYR CE2 C 13 118.053 0.30 . 3 . . . A 656 TYR CE2 . 30135 1 346 . 1 1 34 34 TYR N N 15 120.896 0.30 . 1 . . . A 656 TYR N . 30135 1 347 . 1 1 35 35 ASP H H 1 8.250 0.02 . 1 . . . A 657 ASP H . 30135 1 348 . 1 1 35 35 ASP HA H 1 4.524 0.03 . 1 . . . A 657 ASP HA . 30135 1 349 . 1 1 35 35 ASP HB2 H 1 2.667 0.03 . 1 . . . A 657 ASP HB2 . 30135 1 350 . 1 1 35 35 ASP C C 13 176.599 0.30 . 1 . . . A 657 ASP C . 30135 1 351 . 1 1 35 35 ASP CA C 13 54.261 0.30 . 1 . . . A 657 ASP CA . 30135 1 352 . 1 1 35 35 ASP CB C 13 41.131 0.30 . 1 . . . A 657 ASP CB . 30135 1 353 . 1 1 35 35 ASP N N 15 123.213 0.30 . 1 . . . A 657 ASP N . 30135 1 354 . 1 1 36 36 GLY H H 1 7.790 0.02 . 1 . . . A 658 GLY H . 30135 1 355 . 1 1 36 36 GLY HA2 H 1 3.943 0.03 . 2 . . . A 658 GLY HA2 . 30135 1 356 . 1 1 36 36 GLY HA3 H 1 3.853 0.03 . 2 . . . A 658 GLY HA3 . 30135 1 357 . 1 1 36 36 GLY C C 13 174.391 0.30 . 1 . . . A 658 GLY C . 30135 1 358 . 1 1 36 36 GLY CA C 13 45.619 0.30 . 1 . . . A 658 GLY CA . 30135 1 359 . 1 1 36 36 GLY N N 15 108.813 0.30 . 1 . . . A 658 GLY N . 30135 1 360 . 1 1 37 37 MET H H 1 8.156 0.02 . 1 . . . A 659 MET H . 30135 1 361 . 1 1 37 37 MET HA H 1 4.440 0.03 . 1 . . . A 659 MET HA . 30135 1 362 . 1 1 37 37 MET HB2 H 1 2.046 0.03 . 1 . . . A 659 MET HB2 . 30135 1 363 . 1 1 37 37 MET HG2 H 1 2.588 0.03 . 2 . . . A 659 MET HG2 . 30135 1 364 . 1 1 37 37 MET HG3 H 1 2.508 0.03 . 2 . . . A 659 MET HG3 . 30135 1 365 . 1 1 37 37 MET HE1 H 1 2.055 0.03 . 1 . . . A 659 MET HE1 . 30135 1 366 . 1 1 37 37 MET HE2 H 1 2.055 0.03 . 1 . . . A 659 MET HE2 . 30135 1 367 . 1 1 37 37 MET HE3 H 1 2.055 0.03 . 1 . . . A 659 MET HE3 . 30135 1 368 . 1 1 37 37 MET C C 13 176.315 0.30 . 1 . . . A 659 MET C . 30135 1 369 . 1 1 37 37 MET CA C 13 55.718 0.30 . 1 . . . A 659 MET CA . 30135 1 370 . 1 1 37 37 MET CB C 13 32.583 0.30 . 1 . . . A 659 MET CB . 30135 1 371 . 1 1 37 37 MET CG C 13 31.818 0.30 . 1 . . . A 659 MET CG . 30135 1 372 . 1 1 37 37 MET CE C 13 17.251 0.30 . 1 . . . A 659 MET CE . 30135 1 373 . 1 1 37 37 MET N N 15 119.187 0.30 . 1 . . . A 659 MET N . 30135 1 374 . 1 1 38 38 GLN H H 1 8.327 0.02 . 1 . . . A 660 GLN H . 30135 1 375 . 1 1 38 38 GLN HA H 1 4.320 0.03 . 1 . . . A 660 GLN HA . 30135 1 376 . 1 1 38 38 GLN HB2 H 1 2.106 0.03 . 2 . . . A 660 GLN HB2 . 30135 1 377 . 1 1 38 38 GLN HB3 H 1 1.989 0.03 . 2 . . . A 660 GLN HB3 . 30135 1 378 . 1 1 38 38 GLN HG2 H 1 2.315 0.03 . 1 . . . A 660 GLN HG2 . 30135 1 379 . 1 1 38 38 GLN HE21 H 1 7.547 0.03 . 1 . . . A 660 GLN HE21 . 30135 1 380 . 1 1 38 38 GLN HE22 H 1 6.790 0.03 . 1 . . . A 660 GLN HE22 . 30135 1 381 . 1 1 38 38 GLN C C 13 175.351 0.30 . 1 . . . A 660 GLN C . 30135 1 382 . 1 1 38 38 GLN CA C 13 55.888 0.30 . 1 . . . A 660 GLN CA . 30135 1 383 . 1 1 38 38 GLN CB C 13 29.652 0.30 . 1 . . . A 660 GLN CB . 30135 1 384 . 1 1 38 38 GLN CG C 13 33.421 0.30 . 1 . . . A 660 GLN CG . 30135 1 385 . 1 1 38 38 GLN N N 15 120.120 0.30 . 1 . . . A 660 GLN N . 30135 1 386 . 1 1 38 38 GLN NE2 N 15 112.137 0.30 . 1 . . . A 660 GLN NE2 . 30135 1 387 . 1 1 39 39 ASP H H 1 8.207 0.02 . 1 . . . A 661 ASP H . 30135 1 388 . 1 1 39 39 ASP HA H 1 4.562 0.03 . 1 . . . A 661 ASP HA . 30135 1 389 . 1 1 39 39 ASP HB2 H 1 2.648 0.03 . 2 . . . A 661 ASP HB2 . 30135 1 390 . 1 1 39 39 ASP HB3 H 1 2.510 0.03 . 2 . . . A 661 ASP HB3 . 30135 1 391 . 1 1 39 39 ASP C C 13 175.370 0.30 . 1 . . . A 661 ASP C . 30135 1 392 . 1 1 39 39 ASP CA C 13 53.984 0.30 . 1 . . . A 661 ASP CA . 30135 1 393 . 1 1 39 39 ASP CB C 13 41.210 0.30 . 1 . . . A 661 ASP CB . 30135 1 394 . 1 1 39 39 ASP N N 15 120.359 0.30 . 1 . . . A 661 ASP N . 30135 1 395 . 1 1 40 40 GLU H H 1 8.288 0.02 . 1 . . . A 662 GLU H . 30135 1 396 . 1 1 40 40 GLU HA H 1 4.225 0.03 . 1 . . . A 662 GLU HA . 30135 1 397 . 1 1 40 40 GLU HB2 H 1 1.852 0.03 . 2 . . . A 662 GLU HB2 . 30135 1 398 . 1 1 40 40 GLU HB3 H 1 1.822 0.03 . 2 . . . A 662 GLU HB3 . 30135 1 399 . 1 1 40 40 GLU HG2 H 1 2.129 0.03 . 2 . . . A 662 GLU HG2 . 30135 1 400 . 1 1 40 40 GLU HG3 H 1 2.091 0.03 . 2 . . . A 662 GLU HG3 . 30135 1 401 . 1 1 40 40 GLU C C 13 173.988 0.30 . 1 . . . A 662 GLU C . 30135 1 402 . 1 1 40 40 GLU CA C 13 54.303 0.30 . 1 . . . A 662 GLU CA . 30135 1 403 . 1 1 40 40 GLU CB C 13 30.354 0.30 . 1 . . . A 662 GLU CB . 30135 1 404 . 1 1 40 40 GLU CG C 13 36.001 0.30 . 1 . . . A 662 GLU CG . 30135 1 405 . 1 1 40 40 GLU N N 15 122.999 0.30 . 1 . . . A 662 GLU N . 30135 1 406 . 1 1 41 41 PRO HA H 1 4.291 0.03 . 1 . . . A 663 PRO HA . 30135 1 407 . 1 1 41 41 PRO HB2 H 1 2.034 0.03 . 2 . . . A 663 PRO HB2 . 30135 1 408 . 1 1 41 41 PRO HB3 H 1 0.755 0.03 . 2 . . . A 663 PRO HB3 . 30135 1 409 . 1 1 41 41 PRO HG2 H 1 1.901 0.03 . 2 . . . A 663 PRO HG2 . 30135 1 410 . 1 1 41 41 PRO HG3 H 1 1.528 0.03 . 2 . . . A 663 PRO HG3 . 30135 1 411 . 1 1 41 41 PRO HD2 H 1 3.737 0.03 . 2 . . . A 663 PRO HD2 . 30135 1 412 . 1 1 41 41 PRO HD3 H 1 3.408 0.03 . 2 . . . A 663 PRO HD3 . 30135 1 413 . 1 1 41 41 PRO C C 13 178.171 0.30 . 1 . . . A 663 PRO C . 30135 1 414 . 1 1 41 41 PRO CA C 13 62.099 0.30 . 1 . . . A 663 PRO CA . 30135 1 415 . 1 1 41 41 PRO CB C 13 32.568 0.30 . 1 . . . A 663 PRO CB . 30135 1 416 . 1 1 41 41 PRO CG C 13 27.681 0.30 . 1 . . . A 663 PRO CG . 30135 1 417 . 1 1 41 41 PRO CD C 13 50.741 0.30 . 1 . . . A 663 PRO CD . 30135 1 418 . 1 1 41 41 PRO N N 15 123.675 0.30 . 1 . . . A 663 PRO N . 30135 1 419 . 1 1 42 42 ARG H H 1 8.824 0.02 . 1 . . . A 664 ARG H . 30135 1 420 . 1 1 42 42 ARG HA H 1 3.951 0.03 . 1 . . . A 664 ARG HA . 30135 1 421 . 1 1 42 42 ARG HB2 H 1 1.888 0.03 . 1 . . . A 664 ARG HB2 . 30135 1 422 . 1 1 42 42 ARG HG2 H 1 1.655 0.03 . 2 . . . A 664 ARG HG2 . 30135 1 423 . 1 1 42 42 ARG HG3 H 1 1.495 0.03 . 2 . . . A 664 ARG HG3 . 30135 1 424 . 1 1 42 42 ARG HD2 H 1 3.272 0.03 . 2 . . . A 664 ARG HD2 . 30135 1 425 . 1 1 42 42 ARG HD3 H 1 3.197 0.03 . 2 . . . A 664 ARG HD3 . 30135 1 426 . 1 1 42 42 ARG C C 13 177.870 0.30 . 1 . . . A 664 ARG C . 30135 1 427 . 1 1 42 42 ARG CA C 13 59.609 0.30 . 1 . . . A 664 ARG CA . 30135 1 428 . 1 1 42 42 ARG CB C 13 29.732 0.30 . 1 . . . A 664 ARG CB . 30135 1 429 . 1 1 42 42 ARG CG C 13 27.711 0.30 . 1 . . . A 664 ARG CG . 30135 1 430 . 1 1 42 42 ARG CD C 13 42.965 0.30 . 1 . . . A 664 ARG CD . 30135 1 431 . 1 1 42 42 ARG N N 15 123.680 0.30 . 1 . . . A 664 ARG N . 30135 1 432 . 1 1 43 43 TYR H H 1 7.010 0.02 . 1 . . . A 665 TYR H . 30135 1 433 . 1 1 43 43 TYR HA H 1 4.173 0.03 . 1 . . . A 665 TYR HA . 30135 1 434 . 1 1 43 43 TYR HB2 H 1 3.346 0.03 . 2 . . . A 665 TYR HB2 . 30135 1 435 . 1 1 43 43 TYR HB3 H 1 3.090 0.03 . 2 . . . A 665 TYR HB3 . 30135 1 436 . 1 1 43 43 TYR HD2 H 1 7.153 0.03 . 3 . . . A 665 TYR HD2 . 30135 1 437 . 1 1 43 43 TYR HE2 H 1 6.790 0.03 . 3 . . . A 665 TYR HE2 . 30135 1 438 . 1 1 43 43 TYR C C 13 175.623 0.30 . 1 . . . A 665 TYR C . 30135 1 439 . 1 1 43 43 TYR CA C 13 58.957 0.30 . 1 . . . A 665 TYR CA . 30135 1 440 . 1 1 43 43 TYR CB C 13 37.029 0.30 . 1 . . . A 665 TYR CB . 30135 1 441 . 1 1 43 43 TYR CD2 C 13 134.281 0.30 . 3 . . . A 665 TYR CD2 . 30135 1 442 . 1 1 43 43 TYR CE2 C 13 118.928 0.30 . 3 . . . A 665 TYR CE2 . 30135 1 443 . 1 1 43 43 TYR N N 15 109.645 0.30 . 1 . . . A 665 TYR N . 30135 1 444 . 1 1 44 44 MET H H 1 6.324 0.02 . 1 . . . A 666 MET H . 30135 1 445 . 1 1 44 44 MET HA H 1 4.308 0.03 . 1 . . . A 666 MET HA . 30135 1 446 . 1 1 44 44 MET HB2 H 1 2.040 0.03 . 2 . . . A 666 MET HB2 . 30135 1 447 . 1 1 44 44 MET HB3 H 1 1.812 0.03 . 2 . . . A 666 MET HB3 . 30135 1 448 . 1 1 44 44 MET HG2 H 1 2.482 0.03 . 2 . . . A 666 MET HG2 . 30135 1 449 . 1 1 44 44 MET HG3 H 1 2.485 0.03 . 2 . . . A 666 MET HG3 . 30135 1 450 . 1 1 44 44 MET HE1 H 1 2.155 0.03 . 1 . . . A 666 MET HE1 . 30135 1 451 . 1 1 44 44 MET HE2 H 1 2.155 0.03 . 1 . . . A 666 MET HE2 . 30135 1 452 . 1 1 44 44 MET HE3 H 1 2.155 0.03 . 1 . . . A 666 MET HE3 . 30135 1 453 . 1 1 44 44 MET C C 13 178.352 0.30 . 1 . . . A 666 MET C . 30135 1 454 . 1 1 44 44 MET CA C 13 58.034 0.30 . 1 . . . A 666 MET CA . 30135 1 455 . 1 1 44 44 MET CB C 13 32.418 0.30 . 1 . . . A 666 MET CB . 30135 1 456 . 1 1 44 44 MET CG C 13 32.654 0.30 . 1 . . . A 666 MET CG . 30135 1 457 . 1 1 44 44 MET CE C 13 17.251 0.30 . 1 . . . A 666 MET CE . 30135 1 458 . 1 1 44 44 MET N N 15 119.736 0.30 . 1 . . . A 666 MET N . 30135 1 459 . 1 1 45 45 MET H H 1 7.311 0.02 . 1 . . . A 667 MET H . 30135 1 460 . 1 1 45 45 MET HA H 1 3.952 0.03 . 1 . . . A 667 MET HA . 30135 1 461 . 1 1 45 45 MET HB2 H 1 2.059 0.03 . 1 . . . A 667 MET HB2 . 30135 1 462 . 1 1 45 45 MET HG2 H 1 2.515 0.03 . 2 . . . A 667 MET HG2 . 30135 1 463 . 1 1 45 45 MET HG3 H 1 2.393 0.03 . 2 . . . A 667 MET HG3 . 30135 1 464 . 1 1 45 45 MET HE1 H 1 2.022 0.03 . 1 . . . A 667 MET HE1 . 30135 1 465 . 1 1 45 45 MET HE2 H 1 2.022 0.03 . 1 . . . A 667 MET HE2 . 30135 1 466 . 1 1 45 45 MET HE3 H 1 2.022 0.03 . 1 . . . A 667 MET HE3 . 30135 1 467 . 1 1 45 45 MET C C 13 179.016 0.30 . 1 . . . A 667 MET C . 30135 1 468 . 1 1 45 45 MET CA C 13 58.918 0.30 . 1 . . . A 667 MET CA . 30135 1 469 . 1 1 45 45 MET CB C 13 32.124 0.30 . 1 . . . A 667 MET CB . 30135 1 470 . 1 1 45 45 MET CG C 13 31.213 0.30 . 1 . . . A 667 MET CG . 30135 1 471 . 1 1 45 45 MET CE C 13 17.001 0.30 . 1 . . . A 667 MET CE . 30135 1 472 . 1 1 45 45 MET N N 15 120.433 0.30 . 1 . . . A 667 MET N . 30135 1 473 . 1 1 46 46 LEU H H 1 7.975 0.02 . 1 . . . A 668 LEU H . 30135 1 474 . 1 1 46 46 LEU HA H 1 3.935 0.03 . 1 . . . A 668 LEU HA . 30135 1 475 . 1 1 46 46 LEU HB2 H 1 1.575 0.03 . 2 . . . A 668 LEU HB2 . 30135 1 476 . 1 1 46 46 LEU HB3 H 1 1.211 0.03 . 2 . . . A 668 LEU HB3 . 30135 1 477 . 1 1 46 46 LEU HG H 1 1.658 0.03 . 1 . . . A 668 LEU HG . 30135 1 478 . 1 1 46 46 LEU HD11 H 1 0.794 0.03 . 2 . . . A 668 LEU HD11 . 30135 1 479 . 1 1 46 46 LEU HD12 H 1 0.794 0.03 . 2 . . . A 668 LEU HD12 . 30135 1 480 . 1 1 46 46 LEU HD13 H 1 0.794 0.03 . 2 . . . A 668 LEU HD13 . 30135 1 481 . 1 1 46 46 LEU HD21 H 1 0.669 0.03 . 2 . . . A 668 LEU HD21 . 30135 1 482 . 1 1 46 46 LEU HD22 H 1 0.669 0.03 . 2 . . . A 668 LEU HD22 . 30135 1 483 . 1 1 46 46 LEU HD23 H 1 0.669 0.03 . 2 . . . A 668 LEU HD23 . 30135 1 484 . 1 1 46 46 LEU C C 13 177.769 0.30 . 1 . . . A 668 LEU C . 30135 1 485 . 1 1 46 46 LEU CA C 13 57.504 0.30 . 1 . . . A 668 LEU CA . 30135 1 486 . 1 1 46 46 LEU CB C 13 42.759 0.30 . 1 . . . A 668 LEU CB . 30135 1 487 . 1 1 46 46 LEU CG C 13 25.436 0.30 . 1 . . . A 668 LEU CG . 30135 1 488 . 1 1 46 46 LEU CD1 C 13 22.300 0.30 . 2 . . . A 668 LEU CD1 . 30135 1 489 . 1 1 46 46 LEU CD2 C 13 25.897 0.30 . 2 . . . A 668 LEU CD2 . 30135 1 490 . 1 1 46 46 LEU N N 15 119.973 0.30 . 1 . . . A 668 LEU N . 30135 1 491 . 1 1 47 47 ALA H H 1 7.538 0.02 . 1 . . . A 669 ALA H . 30135 1 492 . 1 1 47 47 ALA HA H 1 3.363 0.03 . 1 . . . A 669 ALA HA . 30135 1 493 . 1 1 47 47 ALA HB1 H 1 1.164 0.03 . 1 . . . A 669 ALA HB1 . 30135 1 494 . 1 1 47 47 ALA HB2 H 1 1.164 0.03 . 1 . . . A 669 ALA HB2 . 30135 1 495 . 1 1 47 47 ALA HB3 H 1 1.164 0.03 . 1 . . . A 669 ALA HB3 . 30135 1 496 . 1 1 47 47 ALA C C 13 179.172 0.30 . 1 . . . A 669 ALA C . 30135 1 497 . 1 1 47 47 ALA CA C 13 54.442 0.30 . 1 . . . A 669 ALA CA . 30135 1 498 . 1 1 47 47 ALA CB C 13 18.542 0.30 . 1 . . . A 669 ALA CB . 30135 1 499 . 1 1 47 47 ALA N N 15 119.534 0.30 . 1 . . . A 669 ALA N . 30135 1 500 . 1 1 48 48 ARG H H 1 7.754 0.02 . 1 . . . A 670 ARG H . 30135 1 501 . 1 1 48 48 ARG HA H 1 4.023 0.03 . 1 . . . A 670 ARG HA . 30135 1 502 . 1 1 48 48 ARG HB2 H 1 1.841 0.03 . 1 . . . A 670 ARG HB2 . 30135 1 503 . 1 1 48 48 ARG HG2 H 1 1.677 0.03 . 2 . . . A 670 ARG HG2 . 30135 1 504 . 1 1 48 48 ARG HG3 H 1 1.510 0.03 . 2 . . . A 670 ARG HG3 . 30135 1 505 . 1 1 48 48 ARG HD2 H 1 3.162 0.03 . 1 . . . A 670 ARG HD2 . 30135 1 506 . 1 1 48 48 ARG C C 13 178.988 0.30 . 1 . . . A 670 ARG C . 30135 1 507 . 1 1 48 48 ARG CA C 13 59.416 0.30 . 1 . . . A 670 ARG CA . 30135 1 508 . 1 1 48 48 ARG CB C 13 29.858 0.30 . 1 . . . A 670 ARG CB . 30135 1 509 . 1 1 48 48 ARG CG C 13 27.534 0.30 . 1 . . . A 670 ARG CG . 30135 1 510 . 1 1 48 48 ARG CD C 13 43.171 0.30 . 1 . . . A 670 ARG CD . 30135 1 511 . 1 1 48 48 ARG N N 15 118.727 0.30 . 1 . . . A 670 ARG N . 30135 1 512 . 1 1 49 49 GLU H H 1 7.450 0.02 . 1 . . . A 671 GLU H . 30135 1 513 . 1 1 49 49 GLU HA H 1 3.902 0.03 . 1 . . . A 671 GLU HA . 30135 1 514 . 1 1 49 49 GLU HB2 H 1 2.001 0.03 . 1 . . . A 671 GLU HB2 . 30135 1 515 . 1 1 49 49 GLU HG2 H 1 2.289 0.03 . 2 . . . A 671 GLU HG2 . 30135 1 516 . 1 1 49 49 GLU HG3 H 1 2.088 0.03 . 2 . . . A 671 GLU HG3 . 30135 1 517 . 1 1 49 49 GLU C C 13 178.494 0.30 . 1 . . . A 671 GLU C . 30135 1 518 . 1 1 49 49 GLU CA C 13 59.229 0.30 . 1 . . . A 671 GLU CA . 30135 1 519 . 1 1 49 49 GLU CB C 13 29.336 0.30 . 1 . . . A 671 GLU CB . 30135 1 520 . 1 1 49 49 GLU CG C 13 35.496 0.30 . 1 . . . A 671 GLU CG . 30135 1 521 . 1 1 49 49 GLU N N 15 120.432 0.30 . 1 . . . A 671 GLU N . 30135 1 522 . 1 1 50 50 ALA H H 1 8.237 0.02 . 1 . . . A 672 ALA H . 30135 1 523 . 1 1 50 50 ALA HA H 1 3.562 0.03 . 1 . . . A 672 ALA HA . 30135 1 524 . 1 1 50 50 ALA HB1 H 1 0.398 0.03 . 1 . . . A 672 ALA HB1 . 30135 1 525 . 1 1 50 50 ALA HB2 H 1 0.398 0.03 . 1 . . . A 672 ALA HB2 . 30135 1 526 . 1 1 50 50 ALA HB3 H 1 0.398 0.03 . 1 . . . A 672 ALA HB3 . 30135 1 527 . 1 1 50 50 ALA C C 13 180.996 0.30 . 1 . . . A 672 ALA C . 30135 1 528 . 1 1 50 50 ALA CA C 13 55.375 0.30 . 1 . . . A 672 ALA CA . 30135 1 529 . 1 1 50 50 ALA CB C 13 16.086 0.30 . 1 . . . A 672 ALA CB . 30135 1 530 . 1 1 50 50 ALA N N 15 121.578 0.30 . 1 . . . A 672 ALA N . 30135 1 531 . 1 1 51 51 GLU H H 1 8.225 0.02 . 1 . . . A 673 GLU H . 30135 1 532 . 1 1 51 51 GLU HA H 1 4.166 0.03 . 1 . . . A 673 GLU HA . 30135 1 533 . 1 1 51 51 GLU HB2 H 1 1.987 0.03 . 2 . . . A 673 GLU HB2 . 30135 1 534 . 1 1 51 51 GLU HB3 H 1 2.145 0.03 . 2 . . . A 673 GLU HB3 . 30135 1 535 . 1 1 51 51 GLU HG2 H 1 2.363 0.03 . 2 . . . A 673 GLU HG2 . 30135 1 536 . 1 1 51 51 GLU HG3 H 1 2.350 0.03 . 2 . . . A 673 GLU HG3 . 30135 1 537 . 1 1 51 51 GLU C C 13 179.215 0.30 . 1 . . . A 673 GLU C . 30135 1 538 . 1 1 51 51 GLU CA C 13 59.323 0.30 . 1 . . . A 673 GLU CA . 30135 1 539 . 1 1 51 51 GLU CB C 13 29.287 0.30 . 1 . . . A 673 GLU CB . 30135 1 540 . 1 1 51 51 GLU CG C 13 35.748 0.30 . 1 . . . A 673 GLU CG . 30135 1 541 . 1 1 51 51 GLU N N 15 121.350 0.30 . 1 . . . A 673 GLU N . 30135 1 542 . 1 1 52 52 MET H H 1 7.635 0.02 . 1 . . . A 674 MET H . 30135 1 543 . 1 1 52 52 MET HA H 1 4.177 0.03 . 1 . . . A 674 MET HA . 30135 1 544 . 1 1 52 52 MET HB2 H 1 2.180 0.03 . 2 . . . A 674 MET HB2 . 30135 1 545 . 1 1 52 52 MET HB3 H 1 2.016 0.03 . 2 . . . A 674 MET HB3 . 30135 1 546 . 1 1 52 52 MET HG2 H 1 2.670 0.03 . 2 . . . A 674 MET HG2 . 30135 1 547 . 1 1 52 52 MET HG3 H 1 2.329 0.03 . 2 . . . A 674 MET HG3 . 30135 1 548 . 1 1 52 52 MET HE1 H 1 1.934 0.03 . 1 . . . A 674 MET HE1 . 30135 1 549 . 1 1 52 52 MET HE2 H 1 1.934 0.03 . 1 . . . A 674 MET HE2 . 30135 1 550 . 1 1 52 52 MET HE3 H 1 1.934 0.03 . 1 . . . A 674 MET HE3 . 30135 1 551 . 1 1 52 52 MET C C 13 178.987 0.30 . 1 . . . A 674 MET C . 30135 1 552 . 1 1 52 52 MET CA C 13 58.798 0.30 . 1 . . . A 674 MET CA . 30135 1 553 . 1 1 52 52 MET CB C 13 32.411 0.30 . 1 . . . A 674 MET CB . 30135 1 554 . 1 1 52 52 MET CG C 13 31.657 0.30 . 1 . . . A 674 MET CG . 30135 1 555 . 1 1 52 52 MET CE C 13 17.001 0.30 . 1 . . . A 674 MET CE . 30135 1 556 . 1 1 52 52 MET N N 15 118.572 0.30 . 1 . . . A 674 MET N . 30135 1 557 . 1 1 53 53 LEU H H 1 7.667 0.02 . 1 . . . A 675 LEU H . 30135 1 558 . 1 1 53 53 LEU HA H 1 4.225 0.03 . 1 . . . A 675 LEU HA . 30135 1 559 . 1 1 53 53 LEU HB2 H 1 1.766 0.03 . 2 . . . A 675 LEU HB2 . 30135 1 560 . 1 1 53 53 LEU HB3 H 1 1.635 0.03 . 2 . . . A 675 LEU HB3 . 30135 1 561 . 1 1 53 53 LEU HG H 1 1.805 0.03 . 1 . . . A 675 LEU HG . 30135 1 562 . 1 1 53 53 LEU HD11 H 1 0.969 0.03 . 2 . . . A 675 LEU HD11 . 30135 1 563 . 1 1 53 53 LEU HD12 H 1 0.969 0.03 . 2 . . . A 675 LEU HD12 . 30135 1 564 . 1 1 53 53 LEU HD13 H 1 0.969 0.03 . 2 . . . A 675 LEU HD13 . 30135 1 565 . 1 1 53 53 LEU HD21 H 1 0.820 0.03 . 2 . . . A 675 LEU HD21 . 30135 1 566 . 1 1 53 53 LEU HD22 H 1 0.820 0.03 . 2 . . . A 675 LEU HD22 . 30135 1 567 . 1 1 53 53 LEU HD23 H 1 0.820 0.03 . 2 . . . A 675 LEU HD23 . 30135 1 568 . 1 1 53 53 LEU C C 13 177.204 0.30 . 1 . . . A 675 LEU C . 30135 1 569 . 1 1 53 53 LEU CA C 13 56.244 0.30 . 1 . . . A 675 LEU CA . 30135 1 570 . 1 1 53 53 LEU CB C 13 42.414 0.30 . 1 . . . A 675 LEU CB . 30135 1 571 . 1 1 53 53 LEU CG C 13 26.911 0.30 . 1 . . . A 675 LEU CG . 30135 1 572 . 1 1 53 53 LEU CD1 C 13 23.586 0.30 . 2 . . . A 675 LEU CD1 . 30135 1 573 . 1 1 53 53 LEU CD2 C 13 26.835 0.30 . 2 . . . A 675 LEU CD2 . 30135 1 574 . 1 1 53 53 LEU N N 15 118.184 0.30 . 1 . . . A 675 LEU N . 30135 1 575 . 1 1 54 54 PHE H H 1 7.985 0.02 . 1 . . . A 676 PHE H . 30135 1 576 . 1 1 54 54 PHE HA H 1 4.261 0.03 . 1 . . . A 676 PHE HA . 30135 1 577 . 1 1 54 54 PHE HB2 H 1 3.725 0.03 . 2 . . . A 676 PHE HB2 . 30135 1 578 . 1 1 54 54 PHE HB3 H 1 3.417 0.03 . 2 . . . A 676 PHE HB3 . 30135 1 579 . 1 1 54 54 PHE HD2 H 1 7.266 0.03 . 3 . . . A 676 PHE HD2 . 30135 1 580 . 1 1 54 54 PHE HE2 H 1 7.261 0.03 . 3 . . . A 676 PHE HE2 . 30135 1 581 . 1 1 54 54 PHE HZ H 1 7.247 0.03 . 1 . . . A 676 PHE HZ . 30135 1 582 . 1 1 54 54 PHE C C 13 176.870 0.30 . 1 . . . A 676 PHE C . 30135 1 583 . 1 1 54 54 PHE CA C 13 60.595 0.30 . 1 . . . A 676 PHE CA . 30135 1 584 . 1 1 54 54 PHE CB C 13 39.568 0.30 . 1 . . . A 676 PHE CB . 30135 1 585 . 1 1 54 54 PHE CD2 C 13 131.632 0.30 . 3 . . . A 676 PHE CD2 . 30135 1 586 . 1 1 54 54 PHE CE2 C 13 131.369 0.30 . 3 . . . A 676 PHE CE2 . 30135 1 587 . 1 1 54 54 PHE CZ C 13 129.631 0.30 . 1 . . . A 676 PHE CZ . 30135 1 588 . 1 1 54 54 PHE N N 15 120.234 0.30 . 1 . . . A 676 PHE N . 30135 1 589 . 1 1 55 55 THR H H 1 7.996 0.02 . 1 . . . A 677 THR H . 30135 1 590 . 1 1 55 55 THR HA H 1 4.186 0.03 . 1 . . . A 677 THR HA . 30135 1 591 . 1 1 55 55 THR HB H 1 4.346 0.03 . 1 . . . A 677 THR HB . 30135 1 592 . 1 1 55 55 THR HG21 H 1 1.473 0.03 . 1 . . . A 677 THR HG21 . 30135 1 593 . 1 1 55 55 THR HG22 H 1 1.473 0.03 . 1 . . . A 677 THR HG22 . 30135 1 594 . 1 1 55 55 THR HG23 H 1 1.473 0.03 . 1 . . . A 677 THR HG23 . 30135 1 595 . 1 1 55 55 THR C C 13 177.596 0.30 . 1 . . . A 677 THR C . 30135 1 596 . 1 1 55 55 THR CA C 13 62.911 0.30 . 1 . . . A 677 THR CA . 30135 1 597 . 1 1 55 55 THR CB C 13 70.747 0.30 . 1 . . . A 677 THR CB . 30135 1 598 . 1 1 55 55 THR CG2 C 13 21.663 0.30 . 1 . . . A 677 THR CG2 . 30135 1 599 . 1 1 55 55 THR N N 15 105.642 0.30 . 1 . . . A 677 THR N . 30135 1 600 . 1 1 56 56 GLY H H 1 8.099 0.02 . 1 . . . A 678 GLY H . 30135 1 601 . 1 1 56 56 GLY HA2 H 1 4.174 0.03 . 2 . . . A 678 GLY HA2 . 30135 1 602 . 1 1 56 56 GLY HA3 H 1 3.749 0.03 . 2 . . . A 678 GLY HA3 . 30135 1 603 . 1 1 56 56 GLY C C 13 173.647 0.30 . 1 . . . A 678 GLY C . 30135 1 604 . 1 1 56 56 GLY CA C 13 45.295 0.30 . 1 . . . A 678 GLY CA . 30135 1 605 . 1 1 56 56 GLY N N 15 110.612 0.30 . 1 . . . A 678 GLY N . 30135 1 606 . 1 1 57 57 GLY H H 1 8.411 0.02 . 1 . . . A 679 GLY H . 30135 1 607 . 1 1 57 57 GLY HA2 H 1 3.957 0.03 . 1 . . . A 679 GLY HA2 . 30135 1 608 . 1 1 57 57 GLY C C 13 173.709 0.30 . 1 . . . A 679 GLY C . 30135 1 609 . 1 1 57 57 GLY CA C 13 45.103 0.30 . 1 . . . A 679 GLY CA . 30135 1 610 . 1 1 57 57 GLY N N 15 106.836 0.30 . 1 . . . A 679 GLY N . 30135 1 611 . 1 1 58 58 TYR H H 1 8.657 0.02 . 1 . . . A 680 TYR H . 30135 1 612 . 1 1 58 58 TYR HA H 1 4.318 0.03 . 1 . . . A 680 TYR HA . 30135 1 613 . 1 1 58 58 TYR HB2 H 1 3.151 0.03 . 2 . . . A 680 TYR HB2 . 30135 1 614 . 1 1 58 58 TYR HB3 H 1 2.952 0.03 . 2 . . . A 680 TYR HB3 . 30135 1 615 . 1 1 58 58 TYR HD2 H 1 7.028 0.03 . 3 . . . A 680 TYR HD2 . 30135 1 616 . 1 1 58 58 TYR HE2 H 1 6.793 0.03 . 3 . . . A 680 TYR HE2 . 30135 1 617 . 1 1 58 58 TYR C C 13 176.495 0.30 . 1 . . . A 680 TYR C . 30135 1 618 . 1 1 58 58 TYR CA C 13 58.901 0.30 . 1 . . . A 680 TYR CA . 30135 1 619 . 1 1 58 58 TYR CB C 13 36.879 0.30 . 1 . . . A 680 TYR CB . 30135 1 620 . 1 1 58 58 TYR CD2 C 13 133.341 0.30 . 3 . . . A 680 TYR CD2 . 30135 1 621 . 1 1 58 58 TYR CE2 C 13 118.159 0.30 . 3 . . . A 680 TYR CE2 . 30135 1 622 . 1 1 58 58 TYR N N 15 119.280 0.30 . 1 . . . A 680 TYR N . 30135 1 623 . 1 1 59 59 GLY H H 1 8.531 0.02 . 1 . . . A 681 GLY H . 30135 1 624 . 1 1 59 59 GLY HA2 H 1 4.096 0.03 . 2 . . . A 681 GLY HA2 . 30135 1 625 . 1 1 59 59 GLY HA3 H 1 3.576 0.03 . 2 . . . A 681 GLY HA3 . 30135 1 626 . 1 1 59 59 GLY C C 13 173.669 0.30 . 1 . . . A 681 GLY C . 30135 1 627 . 1 1 59 59 GLY CA C 13 45.384 0.30 . 1 . . . A 681 GLY CA . 30135 1 628 . 1 1 59 59 GLY N N 15 110.396 0.30 . 1 . . . A 681 GLY N . 30135 1 629 . 1 1 60 60 LEU H H 1 7.628 0.02 . 1 . . . A 682 LEU H . 30135 1 630 . 1 1 60 60 LEU HA H 1 4.589 0.03 . 1 . . . A 682 LEU HA . 30135 1 631 . 1 1 60 60 LEU HB2 H 1 1.530 0.03 . 2 . . . A 682 LEU HB2 . 30135 1 632 . 1 1 60 60 LEU HB3 H 1 1.518 0.03 . 2 . . . A 682 LEU HB3 . 30135 1 633 . 1 1 60 60 LEU HG H 1 1.552 0.03 . 1 . . . A 682 LEU HG . 30135 1 634 . 1 1 60 60 LEU HD11 H 1 0.871 0.03 . 2 . . . A 682 LEU HD11 . 30135 1 635 . 1 1 60 60 LEU HD12 H 1 0.871 0.03 . 2 . . . A 682 LEU HD12 . 30135 1 636 . 1 1 60 60 LEU HD13 H 1 0.871 0.03 . 2 . . . A 682 LEU HD13 . 30135 1 637 . 1 1 60 60 LEU HD21 H 1 0.833 0.03 . 2 . . . A 682 LEU HD21 . 30135 1 638 . 1 1 60 60 LEU HD22 H 1 0.833 0.03 . 2 . . . A 682 LEU HD22 . 30135 1 639 . 1 1 60 60 LEU HD23 H 1 0.833 0.03 . 2 . . . A 682 LEU HD23 . 30135 1 640 . 1 1 60 60 LEU C C 13 176.440 0.30 . 1 . . . A 682 LEU C . 30135 1 641 . 1 1 60 60 LEU CA C 13 53.844 0.30 . 1 . . . A 682 LEU CA . 30135 1 642 . 1 1 60 60 LEU CB C 13 43.576 0.30 . 1 . . . A 682 LEU CB . 30135 1 643 . 1 1 60 60 LEU CG C 13 26.951 0.30 . 1 . . . A 682 LEU CG . 30135 1 644 . 1 1 60 60 LEU CD1 C 13 25.037 0.30 . 2 . . . A 682 LEU CD1 . 30135 1 645 . 1 1 60 60 LEU CD2 C 13 23.812 0.30 . 2 . . . A 682 LEU CD2 . 30135 1 646 . 1 1 60 60 LEU N N 15 121.377 0.30 . 1 . . . A 682 LEU N . 30135 1 647 . 1 1 61 61 GLU H H 1 8.416 0.02 . 1 . . . A 683 GLU H . 30135 1 648 . 1 1 61 61 GLU HA H 1 4.294 0.03 . 1 . . . A 683 GLU HA . 30135 1 649 . 1 1 61 61 GLU HB2 H 1 2.065 0.03 . 2 . . . A 683 GLU HB2 . 30135 1 650 . 1 1 61 61 GLU HB3 H 1 1.926 0.03 . 2 . . . A 683 GLU HB3 . 30135 1 651 . 1 1 61 61 GLU HG2 H 1 2.340 0.03 . 2 . . . A 683 GLU HG2 . 30135 1 652 . 1 1 61 61 GLU HG3 H 1 2.370 0.03 . 2 . . . A 683 GLU HG3 . 30135 1 653 . 1 1 61 61 GLU C C 13 176.088 0.30 . 1 . . . A 683 GLU C . 30135 1 654 . 1 1 61 61 GLU CA C 13 55.928 0.30 . 1 . . . A 683 GLU CA . 30135 1 655 . 1 1 61 61 GLU CB C 13 30.081 0.30 . 1 . . . A 683 GLU CB . 30135 1 656 . 1 1 61 61 GLU CG C 13 35.900 0.30 . 1 . . . A 683 GLU CG . 30135 1 657 . 1 1 61 61 GLU N N 15 123.557 0.30 . 1 . . . A 683 GLU N . 30135 1 658 . 1 1 62 62 LYS H H 1 8.426 0.02 . 1 . . . A 684 LYS H . 30135 1 659 . 1 1 62 62 LYS HA H 1 4.155 0.03 . 1 . . . A 684 LYS HA . 30135 1 660 . 1 1 62 62 LYS HB2 H 1 1.634 0.03 . 2 . . . A 684 LYS HB2 . 30135 1 661 . 1 1 62 62 LYS HB3 H 1 1.637 0.03 . 2 . . . A 684 LYS HB3 . 30135 1 662 . 1 1 62 62 LYS HG2 H 1 1.354 0.03 . 2 . . . A 684 LYS HG2 . 30135 1 663 . 1 1 62 62 LYS HG3 H 1 1.177 0.03 . 2 . . . A 684 LYS HG3 . 30135 1 664 . 1 1 62 62 LYS HD2 H 1 1.589 0.03 . 2 . . . A 684 LYS HD2 . 30135 1 665 . 1 1 62 62 LYS HD3 H 1 1.352 0.03 . 2 . . . A 684 LYS HD3 . 30135 1 666 . 1 1 62 62 LYS HE2 H 1 2.897 0.03 . 2 . . . A 684 LYS HE2 . 30135 1 667 . 1 1 62 62 LYS HE3 H 1 2.897 0.03 . 2 . . . A 684 LYS HE3 . 30135 1 668 . 1 1 62 62 LYS C C 13 176.796 0.30 . 1 . . . A 684 LYS C . 30135 1 669 . 1 1 62 62 LYS CA C 13 57.094 0.30 . 1 . . . A 684 LYS CA . 30135 1 670 . 1 1 62 62 LYS CB C 13 33.177 0.30 . 1 . . . A 684 LYS CB . 30135 1 671 . 1 1 62 62 LYS CG C 13 24.802 0.30 . 1 . . . A 684 LYS CG . 30135 1 672 . 1 1 62 62 LYS CD C 13 29.584 0.30 . 1 . . . A 684 LYS CD . 30135 1 673 . 1 1 62 62 LYS CE C 13 41.823 0.30 . 1 . . . A 684 LYS CE . 30135 1 674 . 1 1 62 62 LYS N N 15 121.985 0.30 . 1 . . . A 684 LYS N . 30135 1 675 . 1 1 63 63 ASP H H 1 8.753 0.02 . 1 . . . A 685 ASP H . 30135 1 676 . 1 1 63 63 ASP HA H 1 4.952 0.03 . 1 . . . A 685 ASP HA . 30135 1 677 . 1 1 63 63 ASP HB2 H 1 3.007 0.03 . 2 . . . A 685 ASP HB2 . 30135 1 678 . 1 1 63 63 ASP HB3 H 1 2.535 0.03 . 2 . . . A 685 ASP HB3 . 30135 1 679 . 1 1 63 63 ASP C C 13 172.677 0.30 . 1 . . . A 685 ASP C . 30135 1 680 . 1 1 63 63 ASP CA C 13 51.366 0.30 . 1 . . . A 685 ASP CA . 30135 1 681 . 1 1 63 63 ASP CB C 13 42.163 0.30 . 1 . . . A 685 ASP CB . 30135 1 682 . 1 1 63 63 ASP N N 15 120.620 0.30 . 1 . . . A 685 ASP N . 30135 1 683 . 1 1 64 64 PRO HA H 1 4.234 0.03 . 1 . . . A 686 PRO HA . 30135 1 684 . 1 1 64 64 PRO HB2 H 1 2.704 0.03 . 2 . . . A 686 PRO HB2 . 30135 1 685 . 1 1 64 64 PRO HB3 H 1 2.197 0.03 . 2 . . . A 686 PRO HB3 . 30135 1 686 . 1 1 64 64 PRO HG2 H 1 2.222 0.03 . 2 . . . A 686 PRO HG2 . 30135 1 687 . 1 1 64 64 PRO HG3 H 1 1.996 0.03 . 2 . . . A 686 PRO HG3 . 30135 1 688 . 1 1 64 64 PRO HD2 H 1 4.074 0.03 . 2 . . . A 686 PRO HD2 . 30135 1 689 . 1 1 64 64 PRO HD3 H 1 3.527 0.03 . 2 . . . A 686 PRO HD3 . 30135 1 690 . 1 1 64 64 PRO C C 13 177.811 0.30 . 1 . . . A 686 PRO C . 30135 1 691 . 1 1 64 64 PRO CA C 13 65.286 0.30 . 1 . . . A 686 PRO CA . 30135 1 692 . 1 1 64 64 PRO CB C 13 32.426 0.30 . 1 . . . A 686 PRO CB . 30135 1 693 . 1 1 64 64 PRO CG C 13 27.614 0.30 . 1 . . . A 686 PRO CG . 30135 1 694 . 1 1 64 64 PRO CD C 13 50.632 0.30 . 1 . . . A 686 PRO CD . 30135 1 695 . 1 1 65 65 GLN H H 1 8.163 0.02 . 1 . . . A 687 GLN H . 30135 1 696 . 1 1 65 65 GLN HA H 1 4.230 0.03 . 1 . . . A 687 GLN HA . 30135 1 697 . 1 1 65 65 GLN HB2 H 1 2.242 0.03 . 1 . . . A 687 GLN HB2 . 30135 1 698 . 1 1 65 65 GLN HG2 H 1 2.433 0.03 . 1 . . . A 687 GLN HG2 . 30135 1 699 . 1 1 65 65 GLN HE21 H 1 7.874 0.03 . 1 . . . A 687 GLN HE21 . 30135 1 700 . 1 1 65 65 GLN HE22 H 1 6.721 0.03 . 1 . . . A 687 GLN HE22 . 30135 1 701 . 1 1 65 65 GLN C C 13 178.264 0.30 . 1 . . . A 687 GLN C . 30135 1 702 . 1 1 65 65 GLN CA C 13 59.634 0.30 . 1 . . . A 687 GLN CA . 30135 1 703 . 1 1 65 65 GLN CB C 13 28.646 0.30 . 1 . . . A 687 GLN CB . 30135 1 704 . 1 1 65 65 GLN CG C 13 33.675 0.30 . 1 . . . A 687 GLN CG . 30135 1 705 . 1 1 65 65 GLN N N 15 116.507 0.30 . 1 . . . A 687 GLN N . 30135 1 706 . 1 1 65 65 GLN NE2 N 15 114.145 0.30 . 1 . . . A 687 GLN NE2 . 30135 1 707 . 1 1 66 66 ARG H H 1 7.722 0.02 . 1 . . . A 688 ARG H . 30135 1 708 . 1 1 66 66 ARG HA H 1 4.245 0.03 . 1 . . . A 688 ARG HA . 30135 1 709 . 1 1 66 66 ARG HB2 H 1 1.749 0.03 . 2 . . . A 688 ARG HB2 . 30135 1 710 . 1 1 66 66 ARG HB3 H 1 1.707 0.03 . 2 . . . A 688 ARG HB3 . 30135 1 711 . 1 1 66 66 ARG HG2 H 1 1.853 0.03 . 2 . . . A 688 ARG HG2 . 30135 1 712 . 1 1 66 66 ARG HG3 H 1 1.614 0.03 . 2 . . . A 688 ARG HG3 . 30135 1 713 . 1 1 66 66 ARG HD2 H 1 3.286 0.03 . 2 . . . A 688 ARG HD2 . 30135 1 714 . 1 1 66 66 ARG HD3 H 1 3.174 0.03 . 2 . . . A 688 ARG HD3 . 30135 1 715 . 1 1 66 66 ARG C C 13 178.500 0.30 . 1 . . . A 688 ARG C . 30135 1 716 . 1 1 66 66 ARG CA C 13 58.441 0.30 . 1 . . . A 688 ARG CA . 30135 1 717 . 1 1 66 66 ARG CB C 13 30.513 0.30 . 1 . . . A 688 ARG CB . 30135 1 718 . 1 1 66 66 ARG CG C 13 28.049 0.30 . 1 . . . A 688 ARG CG . 30135 1 719 . 1 1 66 66 ARG CD C 13 43.474 0.30 . 1 . . . A 688 ARG CD . 30135 1 720 . 1 1 66 66 ARG N N 15 119.400 0.30 . 1 . . . A 688 ARG N . 30135 1 721 . 1 1 67 67 SER H H 1 8.565 0.02 . 1 . . . A 689 SER H . 30135 1 722 . 1 1 67 67 SER HA H 1 3.843 0.03 . 1 . . . A 689 SER HA . 30135 1 723 . 1 1 67 67 SER HB2 H 1 4.001 0.03 . 2 . . . A 689 SER HB2 . 30135 1 724 . 1 1 67 67 SER HB3 H 1 3.915 0.03 . 2 . . . A 689 SER HB3 . 30135 1 725 . 1 1 67 67 SER C C 13 176.900 0.30 . 1 . . . A 689 SER C . 30135 1 726 . 1 1 67 67 SER CA C 13 63.054 0.30 . 1 . . . A 689 SER CA . 30135 1 727 . 1 1 67 67 SER CB C 13 63.193 0.30 . 1 . . . A 689 SER CB . 30135 1 728 . 1 1 67 67 SER N N 15 112.670 0.30 . 1 . . . A 689 SER N . 30135 1 729 . 1 1 68 68 GLY H H 1 8.260 0.02 . 1 . . . A 690 GLY H . 30135 1 730 . 1 1 68 68 GLY HA2 H 1 3.362 0.03 . 2 . . . A 690 GLY HA2 . 30135 1 731 . 1 1 68 68 GLY HA3 H 1 2.633 0.03 . 2 . . . A 690 GLY HA3 . 30135 1 732 . 1 1 68 68 GLY C C 13 176.292 0.30 . 1 . . . A 690 GLY C . 30135 1 733 . 1 1 68 68 GLY CA C 13 47.621 0.30 . 1 . . . A 690 GLY CA . 30135 1 734 . 1 1 68 68 GLY N N 15 104.756 0.30 . 1 . . . A 690 GLY N . 30135 1 735 . 1 1 69 69 ASP H H 1 8.242 0.02 . 1 . . . A 691 ASP H . 30135 1 736 . 1 1 69 69 ASP HA H 1 4.703 0.03 . 1 . . . A 691 ASP HA . 30135 1 737 . 1 1 69 69 ASP HB2 H 1 3.083 0.03 . 2 . . . A 691 ASP HB2 . 30135 1 738 . 1 1 69 69 ASP HB3 H 1 2.899 0.03 . 2 . . . A 691 ASP HB3 . 30135 1 739 . 1 1 69 69 ASP C C 13 179.225 0.30 . 1 . . . A 691 ASP C . 30135 1 740 . 1 1 69 69 ASP CA C 13 57.954 0.30 . 1 . . . A 691 ASP CA . 30135 1 741 . 1 1 69 69 ASP CB C 13 40.577 0.30 . 1 . . . A 691 ASP CB . 30135 1 742 . 1 1 69 69 ASP N N 15 124.202 0.30 . 1 . . . A 691 ASP N . 30135 1 743 . 1 1 70 70 LEU H H 1 8.590 0.02 . 1 . . . A 692 LEU H . 30135 1 744 . 1 1 70 70 LEU HA H 1 4.002 0.03 . 1 . . . A 692 LEU HA . 30135 1 745 . 1 1 70 70 LEU HB2 H 1 1.676 0.03 . 2 . . . A 692 LEU HB2 . 30135 1 746 . 1 1 70 70 LEU HB3 H 1 1.686 0.03 . 2 . . . A 692 LEU HB3 . 30135 1 747 . 1 1 70 70 LEU HG H 1 1.202 0.03 . 1 . . . A 692 LEU HG . 30135 1 748 . 1 1 70 70 LEU HD11 H 1 0.693 0.03 . 2 . . . A 692 LEU HD11 . 30135 1 749 . 1 1 70 70 LEU HD12 H 1 0.693 0.03 . 2 . . . A 692 LEU HD12 . 30135 1 750 . 1 1 70 70 LEU HD13 H 1 0.693 0.03 . 2 . . . A 692 LEU HD13 . 30135 1 751 . 1 1 70 70 LEU HD21 H 1 0.758 0.03 . 2 . . . A 692 LEU HD21 . 30135 1 752 . 1 1 70 70 LEU HD22 H 1 0.758 0.03 . 2 . . . A 692 LEU HD22 . 30135 1 753 . 1 1 70 70 LEU HD23 H 1 0.758 0.03 . 2 . . . A 692 LEU HD23 . 30135 1 754 . 1 1 70 70 LEU C C 13 179.614 0.30 . 1 . . . A 692 LEU C . 30135 1 755 . 1 1 70 70 LEU CA C 13 58.132 0.30 . 1 . . . A 692 LEU CA . 30135 1 756 . 1 1 70 70 LEU CB C 13 42.275 0.30 . 1 . . . A 692 LEU CB . 30135 1 757 . 1 1 70 70 LEU CG C 13 27.147 0.30 . 1 . . . A 692 LEU CG . 30135 1 758 . 1 1 70 70 LEU CD1 C 13 26.192 0.30 . 2 . . . A 692 LEU CD1 . 30135 1 759 . 1 1 70 70 LEU CD2 C 13 22.838 0.30 . 2 . . . A 692 LEU CD2 . 30135 1 760 . 1 1 70 70 LEU N N 15 122.301 0.30 . 1 . . . A 692 LEU N . 30135 1 761 . 1 1 71 71 TYR H H 1 8.912 0.02 . 1 . . . A 693 TYR H . 30135 1 762 . 1 1 71 71 TYR HA H 1 3.963 0.03 . 1 . . . A 693 TYR HA . 30135 1 763 . 1 1 71 71 TYR HB2 H 1 3.239 0.03 . 2 . . . A 693 TYR HB2 . 30135 1 764 . 1 1 71 71 TYR HB3 H 1 2.517 0.03 . 2 . . . A 693 TYR HB3 . 30135 1 765 . 1 1 71 71 TYR HD2 H 1 6.561 0.03 . 3 . . . A 693 TYR HD2 . 30135 1 766 . 1 1 71 71 TYR C C 13 178.757 0.30 . 1 . . . A 693 TYR C . 30135 1 767 . 1 1 71 71 TYR CA C 13 63.075 0.30 . 1 . . . A 693 TYR CA . 30135 1 768 . 1 1 71 71 TYR CB C 13 37.420 0.30 . 1 . . . A 693 TYR CB . 30135 1 769 . 1 1 71 71 TYR N N 15 120.456 0.30 . 1 . . . A 693 TYR N . 30135 1 770 . 1 1 72 72 THR H H 1 8.069 0.02 . 1 . . . A 694 THR H . 30135 1 771 . 1 1 72 72 THR HA H 1 3.819 0.03 . 1 . . . A 694 THR HA . 30135 1 772 . 1 1 72 72 THR HB H 1 4.689 0.03 . 1 . . . A 694 THR HB . 30135 1 773 . 1 1 72 72 THR HG21 H 1 1.509 0.03 . 1 . . . A 694 THR HG21 . 30135 1 774 . 1 1 72 72 THR HG22 H 1 1.509 0.03 . 1 . . . A 694 THR HG22 . 30135 1 775 . 1 1 72 72 THR HG23 H 1 1.509 0.03 . 1 . . . A 694 THR HG23 . 30135 1 776 . 1 1 72 72 THR C C 13 176.084 0.30 . 1 . . . A 694 THR C . 30135 1 777 . 1 1 72 72 THR CA C 13 68.066 0.30 . 1 . . . A 694 THR CA . 30135 1 778 . 1 1 72 72 THR CB C 13 68.291 0.30 . 1 . . . A 694 THR CB . 30135 1 779 . 1 1 72 72 THR CG2 C 13 21.831 0.30 . 1 . . . A 694 THR CG2 . 30135 1 780 . 1 1 72 72 THR N N 15 117.014 0.30 . 1 . . . A 694 THR N . 30135 1 781 . 1 1 73 73 GLN H H 1 7.976 0.02 . 1 . . . A 695 GLN H . 30135 1 782 . 1 1 73 73 GLN HA H 1 4.078 0.03 . 1 . . . A 695 GLN HA . 30135 1 783 . 1 1 73 73 GLN HB2 H 1 2.155 0.03 . 1 . . . A 695 GLN HB2 . 30135 1 784 . 1 1 73 73 GLN HG2 H 1 2.656 0.03 . 2 . . . A 695 GLN HG2 . 30135 1 785 . 1 1 73 73 GLN HG3 H 1 2.383 0.03 . 2 . . . A 695 GLN HG3 . 30135 1 786 . 1 1 73 73 GLN HE21 H 1 7.323 0.03 . 1 . . . A 695 GLN HE21 . 30135 1 787 . 1 1 73 73 GLN HE22 H 1 6.653 0.03 . 1 . . . A 695 GLN HE22 . 30135 1 788 . 1 1 73 73 GLN C C 13 179.844 0.30 . 1 . . . A 695 GLN C . 30135 1 789 . 1 1 73 73 GLN CA C 13 59.287 0.30 . 1 . . . A 695 GLN CA . 30135 1 790 . 1 1 73 73 GLN CB C 13 29.077 0.30 . 1 . . . A 695 GLN CB . 30135 1 791 . 1 1 73 73 GLN CG C 13 34.142 0.30 . 1 . . . A 695 GLN CG . 30135 1 792 . 1 1 73 73 GLN N N 15 121.559 0.30 . 1 . . . A 695 GLN N . 30135 1 793 . 1 1 73 73 GLN NE2 N 15 110.706 0.30 . 1 . . . A 695 GLN NE2 . 30135 1 794 . 1 1 74 74 ALA H H 1 8.905 0.02 . 1 . . . A 696 ALA H . 30135 1 795 . 1 1 74 74 ALA HA H 1 3.845 0.03 . 1 . . . A 696 ALA HA . 30135 1 796 . 1 1 74 74 ALA HB1 H 1 1.153 0.03 . 1 . . . A 696 ALA HB1 . 30135 1 797 . 1 1 74 74 ALA HB2 H 1 1.153 0.03 . 1 . . . A 696 ALA HB2 . 30135 1 798 . 1 1 74 74 ALA HB3 H 1 1.153 0.03 . 1 . . . A 696 ALA HB3 . 30135 1 799 . 1 1 74 74 ALA C C 13 178.599 0.30 . 1 . . . A 696 ALA C . 30135 1 800 . 1 1 74 74 ALA CA C 13 55.598 0.30 . 1 . . . A 696 ALA CA . 30135 1 801 . 1 1 74 74 ALA CB C 13 17.053 0.30 . 1 . . . A 696 ALA CB . 30135 1 802 . 1 1 74 74 ALA N N 15 125.056 0.30 . 1 . . . A 696 ALA N . 30135 1 803 . 1 1 75 75 ALA H H 1 8.558 0.02 . 1 . . . A 697 ALA H . 30135 1 804 . 1 1 75 75 ALA HA H 1 3.973 0.03 . 1 . . . A 697 ALA HA . 30135 1 805 . 1 1 75 75 ALA HB1 H 1 1.013 0.03 . 1 . . . A 697 ALA HB1 . 30135 1 806 . 1 1 75 75 ALA HB2 H 1 1.013 0.03 . 1 . . . A 697 ALA HB2 . 30135 1 807 . 1 1 75 75 ALA HB3 H 1 1.013 0.03 . 1 . . . A 697 ALA HB3 . 30135 1 808 . 1 1 75 75 ALA C C 13 179.339 0.30 . 1 . . . A 697 ALA C . 30135 1 809 . 1 1 75 75 ALA CA C 13 56.061 0.30 . 1 . . . A 697 ALA CA . 30135 1 810 . 1 1 75 75 ALA CB C 13 16.847 0.30 . 1 . . . A 697 ALA CB . 30135 1 811 . 1 1 75 75 ALA N N 15 122.102 0.30 . 1 . . . A 697 ALA N . 30135 1 812 . 1 1 76 76 GLU H H 1 8.147 0.02 . 1 . . . A 698 GLU H . 30135 1 813 . 1 1 76 76 GLU HA H 1 3.803 0.03 . 1 . . . A 698 GLU HA . 30135 1 814 . 1 1 76 76 GLU HB2 H 1 2.030 0.03 . 1 . . . A 698 GLU HB2 . 30135 1 815 . 1 1 76 76 GLU HG2 H 1 2.523 0.03 . 2 . . . A 698 GLU HG2 . 30135 1 816 . 1 1 76 76 GLU HG3 H 1 2.249 0.03 . 2 . . . A 698 GLU HG3 . 30135 1 817 . 1 1 76 76 GLU C C 13 179.548 0.30 . 1 . . . A 698 GLU C . 30135 1 818 . 1 1 76 76 GLU CA C 13 59.606 0.30 . 1 . . . A 698 GLU CA . 30135 1 819 . 1 1 76 76 GLU CB C 13 29.306 0.30 . 1 . . . A 698 GLU CB . 30135 1 820 . 1 1 76 76 GLU CG C 13 36.211 0.30 . 1 . . . A 698 GLU CG . 30135 1 821 . 1 1 76 76 GLU N N 15 117.646 0.30 . 1 . . . A 698 GLU N . 30135 1 822 . 1 1 77 77 ALA H H 1 8.147 0.02 . 1 . . . A 699 ALA H . 30135 1 823 . 1 1 77 77 ALA HA H 1 4.322 0.03 . 1 . . . A 699 ALA HA . 30135 1 824 . 1 1 77 77 ALA HB1 H 1 1.596 0.03 . 1 . . . A 699 ALA HB1 . 30135 1 825 . 1 1 77 77 ALA HB2 H 1 1.596 0.03 . 1 . . . A 699 ALA HB2 . 30135 1 826 . 1 1 77 77 ALA HB3 H 1 1.596 0.03 . 1 . . . A 699 ALA HB3 . 30135 1 827 . 1 1 77 77 ALA C C 13 180.489 0.30 . 1 . . . A 699 ALA C . 30135 1 828 . 1 1 77 77 ALA CA C 13 54.582 0.30 . 1 . . . A 699 ALA CA . 30135 1 829 . 1 1 77 77 ALA CB C 13 17.680 0.30 . 1 . . . A 699 ALA CB . 30135 1 830 . 1 1 77 77 ALA N N 15 121.881 0.30 . 1 . . . A 699 ALA N . 30135 1 831 . 1 1 78 78 ALA H H 1 9.067 0.02 . 1 . . . A 700 ALA H . 30135 1 832 . 1 1 78 78 ALA HA H 1 3.572 0.03 . 1 . . . A 700 ALA HA . 30135 1 833 . 1 1 78 78 ALA HB1 H 1 1.209 0.03 . 1 . . . A 700 ALA HB1 . 30135 1 834 . 1 1 78 78 ALA HB2 H 1 1.209 0.03 . 1 . . . A 700 ALA HB2 . 30135 1 835 . 1 1 78 78 ALA HB3 H 1 1.209 0.03 . 1 . . . A 700 ALA HB3 . 30135 1 836 . 1 1 78 78 ALA C C 13 179.371 0.30 . 1 . . . A 700 ALA C . 30135 1 837 . 1 1 78 78 ALA CA C 13 55.170 0.30 . 1 . . . A 700 ALA CA . 30135 1 838 . 1 1 78 78 ALA CB C 13 16.143 0.30 . 1 . . . A 700 ALA CB . 30135 1 839 . 1 1 78 78 ALA N N 15 124.626 0.30 . 1 . . . A 700 ALA N . 30135 1 840 . 1 1 79 79 MET H H 1 8.537 0.02 . 1 . . . A 701 MET H . 30135 1 841 . 1 1 79 79 MET HA H 1 4.067 0.03 . 1 . . . A 701 MET HA . 30135 1 842 . 1 1 79 79 MET HB2 H 1 2.196 0.03 . 1 . . . A 701 MET HB2 . 30135 1 843 . 1 1 79 79 MET HG2 H 1 2.678 0.03 . 1 . . . A 701 MET HG2 . 30135 1 844 . 1 1 79 79 MET HE1 H 1 2.086 0.03 . 1 . . . A 701 MET HE1 . 30135 1 845 . 1 1 79 79 MET HE2 H 1 2.086 0.03 . 1 . . . A 701 MET HE2 . 30135 1 846 . 1 1 79 79 MET HE3 H 1 2.086 0.03 . 1 . . . A 701 MET HE3 . 30135 1 847 . 1 1 79 79 MET C C 13 180.993 0.30 . 1 . . . A 701 MET C . 30135 1 848 . 1 1 79 79 MET CA C 13 57.787 0.30 . 1 . . . A 701 MET CA . 30135 1 849 . 1 1 79 79 MET CB C 13 31.551 0.30 . 1 . . . A 701 MET CB . 30135 1 850 . 1 1 79 79 MET CG C 13 32.189 0.30 . 1 . . . A 701 MET CG . 30135 1 851 . 1 1 79 79 MET CE C 13 17.145 0.30 . 1 . . . A 701 MET CE . 30135 1 852 . 1 1 79 79 MET N N 15 119.278 0.30 . 1 . . . A 701 MET N . 30135 1 853 . 1 1 80 80 GLU H H 1 8.044 0.02 . 1 . . . A 702 GLU H . 30135 1 854 . 1 1 80 80 GLU HA H 1 4.066 0.03 . 1 . . . A 702 GLU HA . 30135 1 855 . 1 1 80 80 GLU HB2 H 1 2.211 0.03 . 1 . . . A 702 GLU HB2 . 30135 1 856 . 1 1 80 80 GLU HG2 H 1 2.526 0.03 . 2 . . . A 702 GLU HG2 . 30135 1 857 . 1 1 80 80 GLU HG3 H 1 2.357 0.03 . 2 . . . A 702 GLU HG3 . 30135 1 858 . 1 1 80 80 GLU C C 13 177.178 0.30 . 1 . . . A 702 GLU C . 30135 1 859 . 1 1 80 80 GLU CA C 13 59.231 0.30 . 1 . . . A 702 GLU CA . 30135 1 860 . 1 1 80 80 GLU CB C 13 29.351 0.30 . 1 . . . A 702 GLU CB . 30135 1 861 . 1 1 80 80 GLU CG C 13 36.411 0.30 . 1 . . . A 702 GLU CG . 30135 1 862 . 1 1 80 80 GLU N N 15 122.022 0.30 . 1 . . . A 702 GLU N . 30135 1 863 . 1 1 81 81 ALA H H 1 7.295 0.02 . 1 . . . A 703 ALA H . 30135 1 864 . 1 1 81 81 ALA HA H 1 4.525 0.03 . 1 . . . A 703 ALA HA . 30135 1 865 . 1 1 81 81 ALA HB1 H 1 1.640 0.03 . 1 . . . A 703 ALA HB1 . 30135 1 866 . 1 1 81 81 ALA HB2 H 1 1.640 0.03 . 1 . . . A 703 ALA HB2 . 30135 1 867 . 1 1 81 81 ALA HB3 H 1 1.640 0.03 . 1 . . . A 703 ALA HB3 . 30135 1 868 . 1 1 81 81 ALA C C 13 175.483 0.30 . 1 . . . A 703 ALA C . 30135 1 869 . 1 1 81 81 ALA CA C 13 51.578 0.30 . 1 . . . A 703 ALA CA . 30135 1 870 . 1 1 81 81 ALA CB C 13 18.974 0.30 . 1 . . . A 703 ALA CB . 30135 1 871 . 1 1 81 81 ALA N N 15 119.562 0.30 . 1 . . . A 703 ALA N . 30135 1 872 . 1 1 82 82 MET H H 1 7.991 0.02 . 1 . . . A 704 MET H . 30135 1 873 . 1 1 82 82 MET HA H 1 4.057 0.03 . 1 . . . A 704 MET HA . 30135 1 874 . 1 1 82 82 MET HB2 H 1 2.459 0.03 . 2 . . . A 704 MET HB2 . 30135 1 875 . 1 1 82 82 MET HB3 H 1 2.324 0.03 . 2 . . . A 704 MET HB3 . 30135 1 876 . 1 1 82 82 MET HG2 H 1 2.615 0.03 . 2 . . . A 704 MET HG2 . 30135 1 877 . 1 1 82 82 MET HG3 H 1 2.478 0.03 . 2 . . . A 704 MET HG3 . 30135 1 878 . 1 1 82 82 MET HE1 H 1 2.118 0.03 . 1 . . . A 704 MET HE1 . 30135 1 879 . 1 1 82 82 MET HE2 H 1 2.118 0.03 . 1 . . . A 704 MET HE2 . 30135 1 880 . 1 1 82 82 MET HE3 H 1 2.118 0.03 . 1 . . . A 704 MET HE3 . 30135 1 881 . 1 1 82 82 MET C C 13 175.674 0.30 . 1 . . . A 704 MET C . 30135 1 882 . 1 1 82 82 MET CA C 13 56.101 0.30 . 1 . . . A 704 MET CA . 30135 1 883 . 1 1 82 82 MET CB C 13 28.466 0.30 . 1 . . . A 704 MET CB . 30135 1 884 . 1 1 82 82 MET CG C 13 32.358 0.30 . 1 . . . A 704 MET CG . 30135 1 885 . 1 1 82 82 MET CE C 13 17.059 0.30 . 1 . . . A 704 MET CE . 30135 1 886 . 1 1 82 82 MET N N 15 112.828 0.30 . 1 . . . A 704 MET N . 30135 1 887 . 1 1 83 83 LYS H H 1 8.207 0.02 . 1 . . . A 705 LYS H . 30135 1 888 . 1 1 83 83 LYS HA H 1 4.717 0.03 . 1 . . . A 705 LYS HA . 30135 1 889 . 1 1 83 83 LYS HB2 H 1 1.678 0.03 . 2 . . . A 705 LYS HB2 . 30135 1 890 . 1 1 83 83 LYS HB3 H 1 1.528 0.03 . 2 . . . A 705 LYS HB3 . 30135 1 891 . 1 1 83 83 LYS HG2 H 1 1.301 0.03 . 1 . . . A 705 LYS HG2 . 30135 1 892 . 1 1 83 83 LYS HD2 H 1 1.628 0.03 . 2 . . . A 705 LYS HD2 . 30135 1 893 . 1 1 83 83 LYS HD3 H 1 1.527 0.03 . 2 . . . A 705 LYS HD3 . 30135 1 894 . 1 1 83 83 LYS HE2 H 1 3.107 0.03 . 2 . . . A 705 LYS HE2 . 30135 1 895 . 1 1 83 83 LYS HE3 H 1 3.021 0.03 . 2 . . . A 705 LYS HE3 . 30135 1 896 . 1 1 83 83 LYS C C 13 176.733 0.30 . 1 . . . A 705 LYS C . 30135 1 897 . 1 1 83 83 LYS CA C 13 52.462 0.30 . 1 . . . A 705 LYS CA . 30135 1 898 . 1 1 83 83 LYS CB C 13 29.536 0.30 . 1 . . . A 705 LYS CB . 30135 1 899 . 1 1 83 83 LYS CG C 13 23.364 0.30 . 1 . . . A 705 LYS CG . 30135 1 900 . 1 1 83 83 LYS CD C 13 28.238 0.30 . 1 . . . A 705 LYS CD . 30135 1 901 . 1 1 83 83 LYS CE C 13 42.451 0.30 . 1 . . . A 705 LYS CE . 30135 1 902 . 1 1 83 83 LYS N N 15 120.549 0.30 . 1 . . . A 705 LYS N . 30135 1 903 . 1 1 84 84 GLY H H 1 7.818 0.02 . 1 . . . A 706 GLY H . 30135 1 904 . 1 1 84 84 GLY HA2 H 1 3.627 0.03 . 2 . . . A 706 GLY HA2 . 30135 1 905 . 1 1 84 84 GLY HA3 H 1 3.564 0.03 . 2 . . . A 706 GLY HA3 . 30135 1 906 . 1 1 84 84 GLY C C 13 175.847 0.30 . 1 . . . A 706 GLY C . 30135 1 907 . 1 1 84 84 GLY CA C 13 47.814 0.30 . 1 . . . A 706 GLY CA . 30135 1 908 . 1 1 84 84 GLY N N 15 108.464 0.30 . 1 . . . A 706 GLY N . 30135 1 909 . 1 1 85 85 ARG H H 1 8.504 0.02 . 1 . . . A 707 ARG H . 30135 1 910 . 1 1 85 85 ARG HA H 1 4.024 0.03 . 1 . . . A 707 ARG HA . 30135 1 911 . 1 1 85 85 ARG HB2 H 1 1.808 0.03 . 1 . . . A 707 ARG HB2 . 30135 1 912 . 1 1 85 85 ARG HG2 H 1 1.682 0.03 . 2 . . . A 707 ARG HG2 . 30135 1 913 . 1 1 85 85 ARG HG3 H 1 1.508 0.03 . 2 . . . A 707 ARG HG3 . 30135 1 914 . 1 1 85 85 ARG HD2 H 1 3.156 0.03 . 2 . . . A 707 ARG HD2 . 30135 1 915 . 1 1 85 85 ARG HD3 H 1 3.162 0.03 . 2 . . . A 707 ARG HD3 . 30135 1 916 . 1 1 85 85 ARG C C 13 179.655 0.30 . 1 . . . A 707 ARG C . 30135 1 917 . 1 1 85 85 ARG CA C 13 59.461 0.30 . 1 . . . A 707 ARG CA . 30135 1 918 . 1 1 85 85 ARG CB C 13 28.964 0.30 . 1 . . . A 707 ARG CB . 30135 1 919 . 1 1 85 85 ARG CG C 13 27.622 0.30 . 1 . . . A 707 ARG CG . 30135 1 920 . 1 1 85 85 ARG CD C 13 43.003 0.30 . 1 . . . A 707 ARG CD . 30135 1 921 . 1 1 85 85 ARG N N 15 122.015 0.30 . 1 . . . A 707 ARG N . 30135 1 922 . 1 1 86 86 LEU H H 1 7.601 0.02 . 1 . . . A 708 LEU H . 30135 1 923 . 1 1 86 86 LEU HA H 1 3.685 0.03 . 1 . . . A 708 LEU HA . 30135 1 924 . 1 1 86 86 LEU HB2 H 1 1.304 0.03 . 2 . . . A 708 LEU HB2 . 30135 1 925 . 1 1 86 86 LEU HB3 H 1 1.144 0.03 . 2 . . . A 708 LEU HB3 . 30135 1 926 . 1 1 86 86 LEU HG H 1 1.126 0.03 . 1 . . . A 708 LEU HG . 30135 1 927 . 1 1 86 86 LEU HD11 H 1 0.702 0.03 . 1 . . . A 708 LEU HD11 . 30135 1 928 . 1 1 86 86 LEU HD12 H 1 0.702 0.03 . 1 . . . A 708 LEU HD12 . 30135 1 929 . 1 1 86 86 LEU HD13 H 1 0.702 0.03 . 1 . . . A 708 LEU HD13 . 30135 1 930 . 1 1 86 86 LEU C C 13 177.552 0.30 . 1 . . . A 708 LEU C . 30135 1 931 . 1 1 86 86 LEU CA C 13 56.864 0.30 . 1 . . . A 708 LEU CA . 30135 1 932 . 1 1 86 86 LEU CB C 13 41.126 0.30 . 1 . . . A 708 LEU CB . 30135 1 933 . 1 1 86 86 LEU CG C 13 26.605 0.30 . 1 . . . A 708 LEU CG . 30135 1 934 . 1 1 86 86 LEU CD1 C 13 24.109 0.30 . 1 . . . A 708 LEU CD1 . 30135 1 935 . 1 1 86 86 LEU N N 15 121.188 0.30 . 1 . . . A 708 LEU N . 30135 1 936 . 1 1 87 87 ALA H H 1 8.122 0.02 . 1 . . . A 709 ALA H . 30135 1 937 . 1 1 87 87 ALA HA H 1 3.754 0.03 . 1 . . . A 709 ALA HA . 30135 1 938 . 1 1 87 87 ALA HB1 H 1 1.451 0.03 . 1 . . . A 709 ALA HB1 . 30135 1 939 . 1 1 87 87 ALA HB2 H 1 1.451 0.03 . 1 . . . A 709 ALA HB2 . 30135 1 940 . 1 1 87 87 ALA HB3 H 1 1.451 0.03 . 1 . . . A 709 ALA HB3 . 30135 1 941 . 1 1 87 87 ALA C C 13 178.554 0.30 . 1 . . . A 709 ALA C . 30135 1 942 . 1 1 87 87 ALA CA C 13 55.993 0.30 . 1 . . . A 709 ALA CA . 30135 1 943 . 1 1 87 87 ALA CB C 13 18.675 0.30 . 1 . . . A 709 ALA CB . 30135 1 944 . 1 1 87 87 ALA N N 15 119.037 0.30 . 1 . . . A 709 ALA N . 30135 1 945 . 1 1 88 88 ASN H H 1 7.810 0.02 . 1 . . . A 710 ASN H . 30135 1 946 . 1 1 88 88 ASN HA H 1 4.560 0.03 . 1 . . . A 710 ASN HA . 30135 1 947 . 1 1 88 88 ASN HB2 H 1 2.838 0.03 . 2 . . . A 710 ASN HB2 . 30135 1 948 . 1 1 88 88 ASN HB3 H 1 2.817 0.03 . 2 . . . A 710 ASN HB3 . 30135 1 949 . 1 1 88 88 ASN HD21 H 1 7.535 0.03 . 1 . . . A 710 ASN HD21 . 30135 1 950 . 1 1 88 88 ASN HD22 H 1 6.948 0.03 . 1 . . . A 710 ASN HD22 . 30135 1 951 . 1 1 88 88 ASN C C 13 177.786 0.30 . 1 . . . A 710 ASN C . 30135 1 952 . 1 1 88 88 ASN CA C 13 56.820 0.30 . 1 . . . A 710 ASN CA . 30135 1 953 . 1 1 88 88 ASN CB C 13 38.747 0.30 . 1 . . . A 710 ASN CB . 30135 1 954 . 1 1 88 88 ASN N N 15 113.774 0.30 . 1 . . . A 710 ASN N . 30135 1 955 . 1 1 88 88 ASN ND2 N 15 112.150 0.30 . 1 . . . A 710 ASN ND2 . 30135 1 956 . 1 1 89 89 GLN H H 1 7.538 0.02 . 1 . . . A 711 GLN H . 30135 1 957 . 1 1 89 89 GLN HA H 1 3.978 0.03 . 1 . . . A 711 GLN HA . 30135 1 958 . 1 1 89 89 GLN HB2 H 1 2.037 0.03 . 2 . . . A 711 GLN HB2 . 30135 1 959 . 1 1 89 89 GLN HB3 H 1 1.913 0.03 . 2 . . . A 711 GLN HB3 . 30135 1 960 . 1 1 89 89 GLN HG2 H 1 2.359 0.03 . 2 . . . A 711 GLN HG2 . 30135 1 961 . 1 1 89 89 GLN HG3 H 1 2.108 0.03 . 2 . . . A 711 GLN HG3 . 30135 1 962 . 1 1 89 89 GLN HE21 H 1 7.107 0.03 . 1 . . . A 711 GLN HE21 . 30135 1 963 . 1 1 89 89 GLN HE22 H 1 6.746 0.03 . 1 . . . A 711 GLN HE22 . 30135 1 964 . 1 1 89 89 GLN C C 13 178.935 0.30 . 1 . . . A 711 GLN C . 30135 1 965 . 1 1 89 89 GLN CA C 13 58.927 0.30 . 1 . . . A 711 GLN CA . 30135 1 966 . 1 1 89 89 GLN CB C 13 28.035 0.30 . 1 . . . A 711 GLN CB . 30135 1 967 . 1 1 89 89 GLN CG C 13 34.117 0.30 . 1 . . . A 711 GLN CG . 30135 1 968 . 1 1 89 89 GLN N N 15 120.124 0.30 . 1 . . . A 711 GLN N . 30135 1 969 . 1 1 89 89 GLN NE2 N 15 110.267 0.30 . 1 . . . A 711 GLN NE2 . 30135 1 970 . 1 1 90 90 TYR H H 1 8.345 0.02 . 1 . . . A 712 TYR H . 30135 1 971 . 1 1 90 90 TYR HA H 1 4.370 0.03 . 1 . . . A 712 TYR HA . 30135 1 972 . 1 1 90 90 TYR HB2 H 1 3.560 0.03 . 2 . . . A 712 TYR HB2 . 30135 1 973 . 1 1 90 90 TYR HB3 H 1 2.845 0.03 . 2 . . . A 712 TYR HB3 . 30135 1 974 . 1 1 90 90 TYR HD2 H 1 6.592 0.03 . 3 . . . A 712 TYR HD2 . 30135 1 975 . 1 1 90 90 TYR HE2 H 1 6.584 0.03 . 3 . . . A 712 TYR HE2 . 30135 1 976 . 1 1 90 90 TYR C C 13 178.233 0.30 . 1 . . . A 712 TYR C . 30135 1 977 . 1 1 90 90 TYR CA C 13 57.925 0.30 . 1 . . . A 712 TYR CA . 30135 1 978 . 1 1 90 90 TYR CB C 13 35.772 0.30 . 1 . . . A 712 TYR CB . 30135 1 979 . 1 1 90 90 TYR CD2 C 13 130.351 0.30 . 3 . . . A 712 TYR CD2 . 30135 1 980 . 1 1 90 90 TYR CE2 C 13 118.184 0.30 . 3 . . . A 712 TYR CE2 . 30135 1 981 . 1 1 90 90 TYR N N 15 120.575 0.30 . 1 . . . A 712 TYR N . 30135 1 982 . 1 1 91 91 TYR H H 1 8.870 0.02 . 1 . . . A 713 TYR H . 30135 1 983 . 1 1 91 91 TYR HA H 1 4.210 0.03 . 1 . . . A 713 TYR HA . 30135 1 984 . 1 1 91 91 TYR HB2 H 1 3.066 0.03 . 2 . . . A 713 TYR HB2 . 30135 1 985 . 1 1 91 91 TYR HB3 H 1 2.967 0.03 . 2 . . . A 713 TYR HB3 . 30135 1 986 . 1 1 91 91 TYR HD2 H 1 7.078 0.03 . 3 . . . A 713 TYR HD2 . 30135 1 987 . 1 1 91 91 TYR HE2 H 1 6.793 0.03 . 3 . . . A 713 TYR HE2 . 30135 1 988 . 1 1 91 91 TYR C C 13 178.956 0.30 . 1 . . . A 713 TYR C . 30135 1 989 . 1 1 91 91 TYR CA C 13 62.129 0.30 . 1 . . . A 713 TYR CA . 30135 1 990 . 1 1 91 91 TYR CB C 13 37.542 0.30 . 1 . . . A 713 TYR CB . 30135 1 991 . 1 1 91 91 TYR CD2 C 13 133.005 0.30 . 3 . . . A 713 TYR CD2 . 30135 1 992 . 1 1 91 91 TYR CE2 C 13 118.000 0.30 . 3 . . . A 713 TYR CE2 . 30135 1 993 . 1 1 91 91 TYR N N 15 120.363 0.30 . 1 . . . A 713 TYR N . 30135 1 994 . 1 1 92 92 GLN H H 1 7.862 0.02 . 1 . . . A 714 GLN H . 30135 1 995 . 1 1 92 92 GLN HA H 1 4.014 0.03 . 1 . . . A 714 GLN HA . 30135 1 996 . 1 1 92 92 GLN HB2 H 1 2.143 0.03 . 2 . . . A 714 GLN HB2 . 30135 1 997 . 1 1 92 92 GLN HB3 H 1 2.071 0.03 . 2 . . . A 714 GLN HB3 . 30135 1 998 . 1 1 92 92 GLN HG2 H 1 2.477 0.03 . 2 . . . A 714 GLN HG2 . 30135 1 999 . 1 1 92 92 GLN HG3 H 1 2.307 0.03 . 2 . . . A 714 GLN HG3 . 30135 1 1000 . 1 1 92 92 GLN HE21 H 1 7.489 0.03 . 1 . . . A 714 GLN HE21 . 30135 1 1001 . 1 1 92 92 GLN HE22 H 1 6.780 0.03 . 1 . . . A 714 GLN HE22 . 30135 1 1002 . 1 1 92 92 GLN C C 13 178.986 0.30 . 1 . . . A 714 GLN C . 30135 1 1003 . 1 1 92 92 GLN CA C 13 59.069 0.30 . 1 . . . A 714 GLN CA . 30135 1 1004 . 1 1 92 92 GLN CB C 13 27.858 0.30 . 1 . . . A 714 GLN CB . 30135 1 1005 . 1 1 92 92 GLN CG C 13 33.757 0.30 . 1 . . . A 714 GLN CG . 30135 1 1006 . 1 1 92 92 GLN N N 15 119.163 0.30 . 1 . . . A 714 GLN N . 30135 1 1007 . 1 1 92 92 GLN NE2 N 15 111.927 0.30 . 1 . . . A 714 GLN NE2 . 30135 1 1008 . 1 1 93 93 LYS H H 1 7.781 0.02 . 1 . . . A 715 LYS H . 30135 1 1009 . 1 1 93 93 LYS HA H 1 3.633 0.03 . 1 . . . A 715 LYS HA . 30135 1 1010 . 1 1 93 93 LYS HB2 H 1 0.959 0.03 . 2 . . . A 715 LYS HB2 . 30135 1 1011 . 1 1 93 93 LYS HB3 H 1 0.158 0.03 . 2 . . . A 715 LYS HB3 . 30135 1 1012 . 1 1 93 93 LYS HG2 H 1 1.175 0.03 . 2 . . . A 715 LYS HG2 . 30135 1 1013 . 1 1 93 93 LYS HG3 H 1 1.053 0.03 . 2 . . . A 715 LYS HG3 . 30135 1 1014 . 1 1 93 93 LYS HD2 H 1 1.355 0.03 . 2 . . . A 715 LYS HD2 . 30135 1 1015 . 1 1 93 93 LYS HD3 H 1 1.167 0.03 . 2 . . . A 715 LYS HD3 . 30135 1 1016 . 1 1 93 93 LYS HE2 H 1 2.629 0.03 . 1 . . . A 715 LYS HE2 . 30135 1 1017 . 1 1 93 93 LYS C C 13 178.770 0.30 . 1 . . . A 715 LYS C . 30135 1 1018 . 1 1 93 93 LYS CA C 13 57.793 0.30 . 1 . . . A 715 LYS CA . 30135 1 1019 . 1 1 93 93 LYS CB C 13 28.640 0.30 . 1 . . . A 715 LYS CB . 30135 1 1020 . 1 1 93 93 LYS CG C 13 24.935 0.30 . 1 . . . A 715 LYS CG . 30135 1 1021 . 1 1 93 93 LYS CD C 13 27.853 0.30 . 1 . . . A 715 LYS CD . 30135 1 1022 . 1 1 93 93 LYS CE C 13 41.602 0.30 . 1 . . . A 715 LYS CE . 30135 1 1023 . 1 1 93 93 LYS N N 15 120.319 0.30 . 1 . . . A 715 LYS N . 30135 1 1024 . 1 1 94 94 ALA H H 1 7.925 0.02 . 1 . . . A 716 ALA H . 30135 1 1025 . 1 1 94 94 ALA HA H 1 3.556 0.03 . 1 . . . A 716 ALA HA . 30135 1 1026 . 1 1 94 94 ALA HB1 H 1 1.007 0.03 . 1 . . . A 716 ALA HB1 . 30135 1 1027 . 1 1 94 94 ALA HB2 H 1 1.007 0.03 . 1 . . . A 716 ALA HB2 . 30135 1 1028 . 1 1 94 94 ALA HB3 H 1 1.007 0.03 . 1 . . . A 716 ALA HB3 . 30135 1 1029 . 1 1 94 94 ALA C C 13 177.829 0.30 . 1 . . . A 716 ALA C . 30135 1 1030 . 1 1 94 94 ALA CA C 13 55.287 0.30 . 1 . . . A 716 ALA CA . 30135 1 1031 . 1 1 94 94 ALA CB C 13 17.520 0.30 . 1 . . . A 716 ALA CB . 30135 1 1032 . 1 1 94 94 ALA N N 15 122.154 0.30 . 1 . . . A 716 ALA N . 30135 1 1033 . 1 1 95 95 GLU H H 1 7.326 0.02 . 1 . . . A 717 GLU H . 30135 1 1034 . 1 1 95 95 GLU HA H 1 4.139 0.03 . 1 . . . A 717 GLU HA . 30135 1 1035 . 1 1 95 95 GLU HB2 H 1 2.366 0.03 . 2 . . . A 717 GLU HB2 . 30135 1 1036 . 1 1 95 95 GLU HB3 H 1 2.195 0.03 . 2 . . . A 717 GLU HB3 . 30135 1 1037 . 1 1 95 95 GLU HG2 H 1 2.492 0.03 . 1 . . . A 717 GLU HG2 . 30135 1 1038 . 1 1 95 95 GLU C C 13 179.939 0.30 . 1 . . . A 717 GLU C . 30135 1 1039 . 1 1 95 95 GLU CA C 13 59.288 0.30 . 1 . . . A 717 GLU CA . 30135 1 1040 . 1 1 95 95 GLU CB C 13 29.172 0.30 . 1 . . . A 717 GLU CB . 30135 1 1041 . 1 1 95 95 GLU CG C 13 35.865 0.30 . 1 . . . A 717 GLU CG . 30135 1 1042 . 1 1 95 95 GLU N N 15 114.601 0.30 . 1 . . . A 717 GLU N . 30135 1 1043 . 1 1 96 96 GLU H H 1 7.864 0.02 . 1 . . . A 718 GLU H . 30135 1 1044 . 1 1 96 96 GLU HA H 1 4.028 0.03 . 1 . . . A 718 GLU HA . 30135 1 1045 . 1 1 96 96 GLU HB2 H 1 2.018 0.03 . 1 . . . A 718 GLU HB2 . 30135 1 1046 . 1 1 96 96 GLU HG2 H 1 2.451 0.03 . 2 . . . A 718 GLU HG2 . 30135 1 1047 . 1 1 96 96 GLU HG3 H 1 2.191 0.03 . 2 . . . A 718 GLU HG3 . 30135 1 1048 . 1 1 96 96 GLU C C 13 178.846 0.30 . 1 . . . A 718 GLU C . 30135 1 1049 . 1 1 96 96 GLU CA C 13 59.108 0.30 . 1 . . . A 718 GLU CA . 30135 1 1050 . 1 1 96 96 GLU CB C 13 29.704 0.30 . 1 . . . A 718 GLU CB . 30135 1 1051 . 1 1 96 96 GLU CG C 13 36.159 0.30 . 1 . . . A 718 GLU CG . 30135 1 1052 . 1 1 96 96 GLU N N 15 119.887 0.30 . 1 . . . A 718 GLU N . 30135 1 1053 . 1 1 97 97 ALA H H 1 8.071 0.02 . 1 . . . A 719 ALA H . 30135 1 1054 . 1 1 97 97 ALA HA H 1 4.164 0.03 . 1 . . . A 719 ALA HA . 30135 1 1055 . 1 1 97 97 ALA HB1 H 1 1.495 0.03 . 1 . . . A 719 ALA HB1 . 30135 1 1056 . 1 1 97 97 ALA HB2 H 1 1.495 0.03 . 1 . . . A 719 ALA HB2 . 30135 1 1057 . 1 1 97 97 ALA HB3 H 1 1.495 0.03 . 1 . . . A 719 ALA HB3 . 30135 1 1058 . 1 1 97 97 ALA C C 13 179.865 0.30 . 1 . . . A 719 ALA C . 30135 1 1059 . 1 1 97 97 ALA CA C 13 55.369 0.30 . 1 . . . A 719 ALA CA . 30135 1 1060 . 1 1 97 97 ALA CB C 13 16.754 0.30 . 1 . . . A 719 ALA CB . 30135 1 1061 . 1 1 97 97 ALA N N 15 123.206 0.30 . 1 . . . A 719 ALA N . 30135 1 1062 . 1 1 98 98 TRP H H 1 8.408 0.02 . 1 . . . A 720 TRP H . 30135 1 1063 . 1 1 98 98 TRP HA H 1 4.634 0.03 . 1 . . . A 720 TRP HA . 30135 1 1064 . 1 1 98 98 TRP HB2 H 1 3.383 0.03 . 2 . . . A 720 TRP HB2 . 30135 1 1065 . 1 1 98 98 TRP HB3 H 1 3.239 0.03 . 2 . . . A 720 TRP HB3 . 30135 1 1066 . 1 1 98 98 TRP HD1 H 1 7.228 0.03 . 1 . . . A 720 TRP HD1 . 30135 1 1067 . 1 1 98 98 TRP HE1 H 1 10.003 0.03 . 1 . . . A 720 TRP HE1 . 30135 1 1068 . 1 1 98 98 TRP HE3 H 1 7.475 0.03 . 1 . . . A 720 TRP HE3 . 30135 1 1069 . 1 1 98 98 TRP HZ2 H 1 7.578 0.03 . 1 . . . A 720 TRP HZ2 . 30135 1 1070 . 1 1 98 98 TRP HZ3 H 1 7.121 0.03 . 1 . . . A 720 TRP HZ3 . 30135 1 1071 . 1 1 98 98 TRP HH2 H 1 7.267 0.03 . 1 . . . A 720 TRP HH2 . 30135 1 1072 . 1 1 98 98 TRP C C 13 179.161 0.30 . 1 . . . A 720 TRP C . 30135 1 1073 . 1 1 98 98 TRP CA C 13 58.148 0.30 . 1 . . . A 720 TRP CA . 30135 1 1074 . 1 1 98 98 TRP CB C 13 28.491 0.30 . 1 . . . A 720 TRP CB . 30135 1 1075 . 1 1 98 98 TRP CD1 C 13 124.087 0.30 . 1 . . . A 720 TRP CD1 . 30135 1 1076 . 1 1 98 98 TRP CE3 C 13 120.751 0.30 . 1 . . . A 720 TRP CE3 . 30135 1 1077 . 1 1 98 98 TRP CZ2 C 13 114.432 0.30 . 1 . . . A 720 TRP CZ2 . 30135 1 1078 . 1 1 98 98 TRP CZ3 C 13 121.330 0.30 . 1 . . . A 720 TRP CZ3 . 30135 1 1079 . 1 1 98 98 TRP CH2 C 13 125.427 0.30 . 1 . . . A 720 TRP CH2 . 30135 1 1080 . 1 1 98 98 TRP N N 15 116.332 0.30 . 1 . . . A 720 TRP N . 30135 1 1081 . 1 1 98 98 TRP NE1 N 15 126.499 0.30 . 1 . . . A 720 TRP NE1 . 30135 1 1082 . 1 1 99 99 ALA H H 1 8.091 0.02 . 1 . . . A 721 ALA H . 30135 1 1083 . 1 1 99 99 ALA HA H 1 4.374 0.03 . 1 . . . A 721 ALA HA . 30135 1 1084 . 1 1 99 99 ALA HB1 H 1 1.626 0.03 . 1 . . . A 721 ALA HB1 . 30135 1 1085 . 1 1 99 99 ALA HB2 H 1 1.626 0.03 . 1 . . . A 721 ALA HB2 . 30135 1 1086 . 1 1 99 99 ALA HB3 H 1 1.626 0.03 . 1 . . . A 721 ALA HB3 . 30135 1 1087 . 1 1 99 99 ALA C C 13 178.935 0.30 . 1 . . . A 721 ALA C . 30135 1 1088 . 1 1 99 99 ALA CA C 13 53.872 0.30 . 1 . . . A 721 ALA CA . 30135 1 1089 . 1 1 99 99 ALA CB C 13 18.158 0.30 . 1 . . . A 721 ALA CB . 30135 1 1090 . 1 1 99 99 ALA N N 15 121.202 0.30 . 1 . . . A 721 ALA N . 30135 1 1091 . 1 1 100 100 GLN H H 1 7.808 0.02 . 1 . . . A 722 GLN H . 30135 1 1092 . 1 1 100 100 GLN HA H 1 4.332 0.03 . 1 . . . A 722 GLN HA . 30135 1 1093 . 1 1 100 100 GLN HB2 H 1 2.357 0.03 . 2 . . . A 722 GLN HB2 . 30135 1 1094 . 1 1 100 100 GLN HB3 H 1 2.198 0.03 . 2 . . . A 722 GLN HB3 . 30135 1 1095 . 1 1 100 100 GLN HG2 H 1 2.583 0.03 . 2 . . . A 722 GLN HG2 . 30135 1 1096 . 1 1 100 100 GLN HG3 H 1 2.581 0.03 . 2 . . . A 722 GLN HG3 . 30135 1 1097 . 1 1 100 100 GLN HE21 H 1 7.361 0.03 . 1 . . . A 722 GLN HE21 . 30135 1 1098 . 1 1 100 100 GLN HE22 H 1 6.639 0.03 . 1 . . . A 722 GLN HE22 . 30135 1 1099 . 1 1 100 100 GLN C C 13 176.661 0.30 . 1 . . . A 722 GLN C . 30135 1 1100 . 1 1 100 100 GLN CA C 13 56.384 0.30 . 1 . . . A 722 GLN CA . 30135 1 1101 . 1 1 100 100 GLN CB C 13 28.799 0.30 . 1 . . . A 722 GLN CB . 30135 1 1102 . 1 1 100 100 GLN CG C 13 34.359 0.30 . 1 . . . A 722 GLN CG . 30135 1 1103 . 1 1 100 100 GLN N N 15 115.982 0.30 . 1 . . . A 722 GLN N . 30135 1 1104 . 1 1 100 100 GLN NE2 N 15 111.740 0.30 . 1 . . . A 722 GLN NE2 . 30135 1 1105 . 1 1 101 101 MET H H 1 7.827 0.02 . 1 . . . A 723 MET H . 30135 1 1106 . 1 1 101 101 MET HA H 1 4.453 0.03 . 1 . . . A 723 MET HA . 30135 1 1107 . 1 1 101 101 MET HB2 H 1 2.245 0.03 . 1 . . . A 723 MET HB2 . 30135 1 1108 . 1 1 101 101 MET HG2 H 1 2.808 0.03 . 2 . . . A 723 MET HG2 . 30135 1 1109 . 1 1 101 101 MET HG3 H 1 2.686 0.03 . 2 . . . A 723 MET HG3 . 30135 1 1110 . 1 1 101 101 MET HE1 H 1 2.166 0.03 . 1 . . . A 723 MET HE1 . 30135 1 1111 . 1 1 101 101 MET HE2 H 1 2.166 0.03 . 1 . . . A 723 MET HE2 . 30135 1 1112 . 1 1 101 101 MET HE3 H 1 2.166 0.03 . 1 . . . A 723 MET HE3 . 30135 1 1113 . 1 1 101 101 MET C C 13 176.011 0.30 . 1 . . . A 723 MET C . 30135 1 1114 . 1 1 101 101 MET CA C 13 56.282 0.30 . 1 . . . A 723 MET CA . 30135 1 1115 . 1 1 101 101 MET CB C 13 33.171 0.30 . 1 . . . A 723 MET CB . 30135 1 1116 . 1 1 101 101 MET CG C 13 31.557 0.30 . 1 . . . A 723 MET CG . 30135 1 1117 . 1 1 101 101 MET CE C 13 16.500 0.30 . 1 . . . A 723 MET CE . 30135 1 1118 . 1 1 101 101 MET N N 15 118.369 0.30 . 1 . . . A 723 MET N . 30135 1 1119 . 1 1 102 102 GLU H H 1 8.182 0.02 . 1 . . . A 724 GLU H . 30135 1 1120 . 1 1 102 102 GLU HA H 1 4.415 0.03 . 1 . . . A 724 GLU HA . 30135 1 1121 . 1 1 102 102 GLU HB2 H 1 2.196 0.03 . 2 . . . A 724 GLU HB2 . 30135 1 1122 . 1 1 102 102 GLU HB3 H 1 1.990 0.03 . 2 . . . A 724 GLU HB3 . 30135 1 1123 . 1 1 102 102 GLU HG2 H 1 2.348 0.03 . 2 . . . A 724 GLU HG2 . 30135 1 1124 . 1 1 102 102 GLU HG3 H 1 2.557 0.03 . 2 . . . A 724 GLU HG3 . 30135 1 1125 . 1 1 102 102 GLU C C 13 175.453 0.30 . 1 . . . A 724 GLU C . 30135 1 1126 . 1 1 102 102 GLU CA C 13 56.337 0.30 . 1 . . . A 724 GLU CA . 30135 1 1127 . 1 1 102 102 GLU CB C 13 30.575 0.30 . 1 . . . A 724 GLU CB . 30135 1 1128 . 1 1 102 102 GLU CG C 13 36.105 0.30 . 1 . . . A 724 GLU CG . 30135 1 1129 . 1 1 102 102 GLU N N 15 121.374 0.30 . 1 . . . A 724 GLU N . 30135 1 1130 . 1 1 103 103 GLU H H 1 8.014 0.02 . 1 . . . A 725 GLU H . 30135 1 1131 . 1 1 103 103 GLU HA H 1 4.140 0.03 . 1 . . . A 725 GLU HA . 30135 1 1132 . 1 1 103 103 GLU HB2 H 1 2.047 0.03 . 2 . . . A 725 GLU HB2 . 30135 1 1133 . 1 1 103 103 GLU HB3 H 1 1.928 0.03 . 2 . . . A 725 GLU HB3 . 30135 1 1134 . 1 1 103 103 GLU HG2 H 1 2.254 0.03 . 1 . . . A 725 GLU HG2 . 30135 1 1135 . 1 1 103 103 GLU CA C 13 58.140 0.30 . 1 . . . A 725 GLU CA . 30135 1 1136 . 1 1 103 103 GLU CB C 13 31.185 0.30 . 1 . . . A 725 GLU CB . 30135 1 1137 . 1 1 103 103 GLU CG C 13 36.478 0.30 . 1 . . . A 725 GLU CG . 30135 1 1138 . 1 1 103 103 GLU N N 15 127.080 0.30 . 1 . . . A 725 GLU N . 30135 1 stop_ save_