data_18986 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18986 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the C-terminus of the minichromosome maintenance protein MCM from Sulfolobus solfataricus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-29 _Entry.Accession_date 2013-01-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christoph Wiedemann . . . 18986 2 Oliver Ohlenschlager . . . 18986 3 Barbara Medagli . . . 18986 4 Silvia Onesti . . . 18986 5 Matthias Gorlach . . . 18986 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18986 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Archeal . 18986 MCM . 18986 'Minichromosome maintenance protein' . 18986 'NMR solution structure' . 18986 'Sulfolobus solfataricus' . 18986 'Winged helix' . 18986 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18986 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 18986 '15N chemical shifts' 82 18986 '1H chemical shifts' 637 18986 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 . . 2014-02-17 2013-01-29 update BMRB 'update entry citation' 18986 1 . . 2013-09-30 2013-01-29 original author 'original release' 18986 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M45 'BMRB Entry Tracking System' 18986 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18986 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23934138 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C chemical shift assignments for the winged helix domains of two archeal MCM C-termini.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christoph Wiedemann . . . 18986 1 2 Oliver Ohlenschlager . . . 18986 1 3 Barbara Medagli . . . 18986 1 4 Silvia Onesti . . . 18986 1 5 Matthias Gorlach . . . 18986 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18986 _Assembly.ID 1 _Assembly.Name 'C-terminus of the minichromosome maintenance protein MCM' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminus of the minichromosome maintenance protein MCM' 1 $C-terminus_of_the_minichromosome_maintenance_protein_MCM A . yes native no no . . . 18986 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 83 83 SG . . 642 CYS SG . . 682 CYS SG 18986 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-terminus_of_the_minichromosome_maintenance_protein_MCM _Entity.Sf_category entity _Entity.Sf_framecode C-terminus_of_the_minichromosome_maintenance_protein_MCM _Entity.Entry_ID 18986 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-terminus_of_the_minichromosome_maintenance_protein_MCM _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 ; GSHMGESGKIDIDTIMTGKP KSAREKMMKIIEIIDSLAVS SECAKVKDILKEAQQVGIEK SNIEKLLTDMRKSGIIYEAK PECYKKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9674.474 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProtKB Q9UXG1 . MCM_SULSO . . . . . . . . . . . . . . 18986 1 2 no PDB 2M45 . "Nmr Solution Structure Of The C-terminus Of The Minichromosome Maintenance Protein Mcm From Sulfolobus Solfataricus" . . . . . 100.00 87 100.00 100.00 1.41e-52 . . . . 18986 1 3 no PDB 4FDG . "Crystal Structure Of An Archaeal Mcm Filament" . . . . . 94.25 692 100.00 100.00 4.90e-44 . . . . 18986 1 4 no EMBL CAB57529 . "minichromosome maintenance (MCM) protein [Sulfolobus solfataricus P2]" . . . . . 94.25 686 100.00 100.00 4.56e-44 . . . . 18986 1 5 no GB AAK41071 . "Minichromosome maintenance protein MCM [Sulfolobus solfataricus P2]" . . . . . 94.25 686 100.00 100.00 4.56e-44 . . . . 18986 1 6 no GB ACP35470 . "MCM family protein [Sulfolobus islandicus L.S.2.15]" . . . . . 94.25 686 98.78 100.00 8.62e-44 . . . . 18986 1 7 no GB ACP38121 . "MCM family protein [Sulfolobus islandicus M.14.25]" . . . . . 94.25 686 98.78 100.00 8.62e-44 . . . . 18986 1 8 no GB ACP45628 . "MCM family protein [Sulfolobus islandicus Y.G.57.14]" . . . . . 94.25 686 98.78 100.00 8.20e-44 . . . . 18986 1 9 no GB ACP48570 . "MCM family protein [Sulfolobus islandicus Y.N.15.51]" . . . . . 94.25 686 98.78 100.00 8.36e-44 . . . . 18986 1 10 no REF WP_009991364 . "minichromosome maintenance protein MCM [Sulfolobus solfataricus]" . . . . . 94.25 686 100.00 100.00 4.56e-44 . . . . 18986 1 11 no REF WP_012711366 . "MCM family protein [Sulfolobus islandicus]" . . . . . 94.25 686 98.78 100.00 8.62e-44 . . . . 18986 1 12 no REF WP_012713703 . "MCM family protein [Sulfolobus islandicus]" . . . . . 94.25 686 98.78 100.00 8.62e-44 . . . . 18986 1 13 no REF WP_012716161 . "MCM family protein [Sulfolobus islandicus]" . . . . . 94.25 686 98.78 100.00 8.20e-44 . . . . 18986 1 14 no REF WP_012717457 . "MCM family protein [Sulfolobus islandicus]" . . . . . 94.25 686 98.78 100.00 8.36e-44 . . . . 18986 1 15 no SP Q9UXG1 . "RecName: Full=Minichromosome maintenance protein MCM" . . . . . 94.25 686 100.00 100.00 4.56e-44 . . . . 18986 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 1 600 GLY . 18986 1 2 601 SER . 18986 1 3 602 HIS . 18986 1 4 603 MET . 18986 1 5 604 GLY . 18986 1 6 605 GLU . 18986 1 7 606 SER . 18986 1 8 607 GLY . 18986 1 9 608 LYS . 18986 1 10 609 ILE . 18986 1 11 610 ASP . 18986 1 12 611 ILE . 18986 1 13 612 ASP . 18986 1 14 613 THR . 18986 1 15 614 ILE . 18986 1 16 615 MET . 18986 1 17 616 THR . 18986 1 18 617 GLY . 18986 1 19 618 LYS . 18986 1 20 619 PRO . 18986 1 21 620 LYS . 18986 1 22 621 SER . 18986 1 23 622 ALA . 18986 1 24 623 ARG . 18986 1 25 624 GLU . 18986 1 26 625 LYS . 18986 1 27 626 MET . 18986 1 28 627 MET . 18986 1 29 628 LYS . 18986 1 30 629 ILE . 18986 1 31 630 ILE . 18986 1 32 631 GLU . 18986 1 33 632 ILE . 18986 1 34 633 ILE . 18986 1 35 634 ASP . 18986 1 36 635 SER . 18986 1 37 636 LEU . 18986 1 38 637 ALA . 18986 1 39 638 VAL . 18986 1 40 639 SER . 18986 1 41 640 SER . 18986 1 42 641 GLU . 18986 1 43 642 CYS . 18986 1 44 643 ALA . 18986 1 45 644 LYS . 18986 1 46 645 VAL . 18986 1 47 646 LYS . 18986 1 48 647 ASP . 18986 1 49 648 ILE . 18986 1 50 649 LEU . 18986 1 51 650 LYS . 18986 1 52 651 GLU . 18986 1 53 652 ALA . 18986 1 54 653 GLN . 18986 1 55 654 GLN . 18986 1 56 655 VAL . 18986 1 57 656 GLY . 18986 1 58 657 ILE . 18986 1 59 658 GLU . 18986 1 60 659 LYS . 18986 1 61 660 SER . 18986 1 62 661 ASN . 18986 1 63 662 ILE . 18986 1 64 663 GLU . 18986 1 65 664 LYS . 18986 1 66 665 LEU . 18986 1 67 666 LEU . 18986 1 68 667 THR . 18986 1 69 668 ASP . 18986 1 70 669 MET . 18986 1 71 670 ARG . 18986 1 72 671 LYS . 18986 1 73 672 SER . 18986 1 74 673 GLY . 18986 1 75 674 ILE . 18986 1 76 675 ILE . 18986 1 77 676 TYR . 18986 1 78 677 GLU . 18986 1 79 678 ALA . 18986 1 80 679 LYS . 18986 1 81 680 PRO . 18986 1 82 681 GLU . 18986 1 83 682 CYS . 18986 1 84 683 TYR . 18986 1 85 684 LYS . 18986 1 86 685 LYS . 18986 1 87 686 VAL . 18986 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 18986 1 . SER 2 2 18986 1 . HIS 3 3 18986 1 . MET 4 4 18986 1 . GLY 5 5 18986 1 . GLU 6 6 18986 1 . SER 7 7 18986 1 . GLY 8 8 18986 1 . LYS 9 9 18986 1 . ILE 10 10 18986 1 . ASP 11 11 18986 1 . ILE 12 12 18986 1 . ASP 13 13 18986 1 . THR 14 14 18986 1 . ILE 15 15 18986 1 . MET 16 16 18986 1 . THR 17 17 18986 1 . GLY 18 18 18986 1 . LYS 19 19 18986 1 . PRO 20 20 18986 1 . LYS 21 21 18986 1 . SER 22 22 18986 1 . ALA 23 23 18986 1 . ARG 24 24 18986 1 . GLU 25 25 18986 1 . LYS 26 26 18986 1 . MET 27 27 18986 1 . MET 28 28 18986 1 . LYS 29 29 18986 1 . ILE 30 30 18986 1 . ILE 31 31 18986 1 . GLU 32 32 18986 1 . ILE 33 33 18986 1 . ILE 34 34 18986 1 . ASP 35 35 18986 1 . SER 36 36 18986 1 . LEU 37 37 18986 1 . ALA 38 38 18986 1 . VAL 39 39 18986 1 . SER 40 40 18986 1 . SER 41 41 18986 1 . GLU 42 42 18986 1 . CYS 43 43 18986 1 . ALA 44 44 18986 1 . LYS 45 45 18986 1 . VAL 46 46 18986 1 . LYS 47 47 18986 1 . ASP 48 48 18986 1 . ILE 49 49 18986 1 . LEU 50 50 18986 1 . LYS 51 51 18986 1 . GLU 52 52 18986 1 . ALA 53 53 18986 1 . GLN 54 54 18986 1 . GLN 55 55 18986 1 . VAL 56 56 18986 1 . GLY 57 57 18986 1 . ILE 58 58 18986 1 . GLU 59 59 18986 1 . LYS 60 60 18986 1 . SER 61 61 18986 1 . ASN 62 62 18986 1 . ILE 63 63 18986 1 . GLU 64 64 18986 1 . LYS 65 65 18986 1 . LEU 66 66 18986 1 . LEU 67 67 18986 1 . THR 68 68 18986 1 . ASP 69 69 18986 1 . MET 70 70 18986 1 . ARG 71 71 18986 1 . LYS 72 72 18986 1 . SER 73 73 18986 1 . GLY 74 74 18986 1 . ILE 75 75 18986 1 . ILE 76 76 18986 1 . TYR 77 77 18986 1 . GLU 78 78 18986 1 . ALA 79 79 18986 1 . LYS 80 80 18986 1 . PRO 81 81 18986 1 . GLU 82 82 18986 1 . CYS 83 83 18986 1 . TYR 84 84 18986 1 . LYS 85 85 18986 1 . LYS 86 86 18986 1 . VAL 87 87 18986 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 18986 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $C-terminus_of_the_minichromosome_maintenance_protein_MCM . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus 'ATCC 35092' . . . . . . . . . . . . . . . . . . . . 18986 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 18986 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $C-terminus_of_the_minichromosome_maintenance_protein_MCM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21-CodonPlus (DE3) RILP' . . . . . . . . . . . . . . . pET-15b . . . . . . 18986 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18986 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'C-terminus of the minichromosome maintenance protein MCM' '[U-100% 13C; U-100% 15N]' . . 1 $C-terminus_of_the_minichromosome_maintenance_protein_MCM . . 700 . . uM . . . . 18986 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18986 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18986 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 18986 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18986 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'C-terminus of the minichromosome maintenance protein MCM' '[U-100% 13C; U-100% 15N]' . . 1 $C-terminus_of_the_minichromosome_maintenance_protein_MCM . . 700 . . uM . . . . 18986 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18986 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18986 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 18986 2 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 18986 _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' 160 . mM 18986 1 pH 6.2 . pH 18986 1 pressure 1 . atm 18986 1 temperature 303 . K 18986 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18986 _Software.ID 1 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18986 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18986 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18986 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18986 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'collection & processing' 18986 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 18986 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18986 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18986 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18986 _Software.ID 4 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 18986 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18986 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18986 _NMR_spectrometer.ID 1 _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 18986 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AvanceIII . 600 . . . 18986 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 18986 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18986 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18986 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18986 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18986 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18986 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18986 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18986 1 2 '2D 1H-13C HSQC aliphatic' . . . 18986 1 3 '2D 1H-13C HSQC aromatic' . . . 18986 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.853 0.020 . 1 . . . A 600 GLY HA2 . 18986 1 2 . 1 1 1 1 GLY HA3 H 1 3.853 0.020 . 1 . . . A 600 GLY HA3 . 18986 1 3 . 1 1 1 1 GLY CA C 13 43.756 0.300 . 1 . . . A 600 GLY CA . 18986 1 4 . 1 1 2 2 SER HA H 1 4.475 0.020 . 1 . . . A 601 SER HA . 18986 1 5 . 1 1 2 2 SER HB2 H 1 3.790 0.020 . 1 . . . A 601 SER HB2 . 18986 1 6 . 1 1 2 2 SER HB3 H 1 3.790 0.020 . 1 . . . A 601 SER HB3 . 18986 1 7 . 1 1 2 2 SER CA C 13 58.228 0.300 . 1 . . . A 601 SER CA . 18986 1 8 . 1 1 2 2 SER CB C 13 63.940 0.300 . 1 . . . A 601 SER CB . 18986 1 9 . 1 1 3 3 HIS HA H 1 4.616 0.020 . 1 . . . A 602 HIS HA . 18986 1 10 . 1 1 3 3 HIS HB2 H 1 3.098 0.020 . 2 . . . A 602 HIS HB2 . 18986 1 11 . 1 1 3 3 HIS HB3 H 1 3.064 0.020 . 2 . . . A 602 HIS HB3 . 18986 1 12 . 1 1 3 3 HIS HD2 H 1 6.987 0.020 . 1 . . . A 602 HIS HD2 . 18986 1 13 . 1 1 3 3 HIS HE1 H 1 7.812 0.020 . 1 . . . A 602 HIS HE1 . 18986 1 14 . 1 1 3 3 HIS C C 13 175.040 0.300 . 1 . . . A 602 HIS C . 18986 1 15 . 1 1 3 3 HIS CA C 13 56.574 0.300 . 1 . . . A 602 HIS CA . 18986 1 16 . 1 1 3 3 HIS CB C 13 30.803 0.300 . 1 . . . A 602 HIS CB . 18986 1 17 . 1 1 3 3 HIS CD2 C 13 119.886 0.300 . 1 . . . A 602 HIS CD2 . 18986 1 18 . 1 1 3 3 HIS CE1 C 13 138.450 0.300 . 1 . . . A 602 HIS CE1 . 18986 1 19 . 1 1 4 4 MET H H 1 8.394 0.020 . 1 . . . A 603 MET H . 18986 1 20 . 1 1 4 4 MET HA H 1 4.425 0.020 . 1 . . . A 603 MET HA . 18986 1 21 . 1 1 4 4 MET HB2 H 1 1.931 0.020 . 1 . . . A 603 MET HB2 . 18986 1 22 . 1 1 4 4 MET HB3 H 1 1.931 0.020 . 1 . . . A 603 MET HB3 . 18986 1 23 . 1 1 4 4 MET HG2 H 1 2.407 0.020 . 2 . . . A 603 MET HG2 . 18986 1 24 . 1 1 4 4 MET HG3 H 1 2.487 0.020 . 2 . . . A 603 MET HG3 . 18986 1 25 . 1 1 4 4 MET HE1 H 1 2.011 0.020 . 1 . . . A 603 MET HE1 . 18986 1 26 . 1 1 4 4 MET HE2 H 1 2.011 0.020 . 1 . . . A 603 MET HE1 . 18986 1 27 . 1 1 4 4 MET HE3 H 1 2.011 0.020 . 1 . . . A 603 MET HE1 . 18986 1 28 . 1 1 4 4 MET C C 13 176.668 0.300 . 1 . . . A 603 MET C . 18986 1 29 . 1 1 4 4 MET CA C 13 55.828 0.300 . 1 . . . A 603 MET CA . 18986 1 30 . 1 1 4 4 MET CB C 13 32.769 0.300 . 1 . . . A 603 MET CB . 18986 1 31 . 1 1 4 4 MET CG C 13 31.950 0.300 . 1 . . . A 603 MET CG . 18986 1 32 . 1 1 4 4 MET CE C 13 17.511 0.300 . 1 . . . A 603 MET CE . 18986 1 33 . 1 1 4 4 MET N N 15 121.862 0.250 . 1 . . . A 603 MET N . 18986 1 34 . 1 1 5 5 GLY H H 1 8.411 0.020 . 1 . . . A 604 GLY H . 18986 1 35 . 1 1 5 5 GLY HA2 H 1 3.945 0.020 . 1 . . . A 604 GLY HA2 . 18986 1 36 . 1 1 5 5 GLY HA3 H 1 3.945 0.020 . 1 . . . A 604 GLY HA3 . 18986 1 37 . 1 1 5 5 GLY C C 13 174.310 0.300 . 1 . . . A 604 GLY C . 18986 1 38 . 1 1 5 5 GLY CA C 13 45.337 0.300 . 1 . . . A 604 GLY CA . 18986 1 39 . 1 1 5 5 GLY N N 15 110.382 0.250 . 1 . . . A 604 GLY N . 18986 1 40 . 1 1 6 6 GLU H H 1 8.282 0.020 . 1 . . . A 605 GLU H . 18986 1 41 . 1 1 6 6 GLU HA H 1 4.307 0.020 . 1 . . . A 605 GLU HA . 18986 1 42 . 1 1 6 6 GLU HB2 H 1 2.064 0.020 . 2 . . . A 605 GLU HB2 . 18986 1 43 . 1 1 6 6 GLU HB3 H 1 1.926 0.020 . 2 . . . A 605 GLU HB3 . 18986 1 44 . 1 1 6 6 GLU HG2 H 1 2.232 0.020 . 1 . . . A 605 GLU HG2 . 18986 1 45 . 1 1 6 6 GLU HG3 H 1 2.232 0.020 . 1 . . . A 605 GLU HG3 . 18986 1 46 . 1 1 6 6 GLU C C 13 176.940 0.300 . 1 . . . A 605 GLU C . 18986 1 47 . 1 1 6 6 GLU CA C 13 56.686 0.300 . 1 . . . A 605 GLU CA . 18986 1 48 . 1 1 6 6 GLU CB C 13 30.331 0.300 . 1 . . . A 605 GLU CB . 18986 1 49 . 1 1 6 6 GLU CG C 13 36.298 0.300 . 1 . . . A 605 GLU CG . 18986 1 50 . 1 1 6 6 GLU N N 15 120.709 0.250 . 1 . . . A 605 GLU N . 18986 1 51 . 1 1 7 7 SER H H 1 8.420 0.020 . 1 . . . A 606 SER H . 18986 1 52 . 1 1 7 7 SER HA H 1 4.405 0.020 . 1 . . . A 606 SER HA . 18986 1 53 . 1 1 7 7 SER HB2 H 1 3.865 0.020 . 1 . . . A 606 SER HB2 . 18986 1 54 . 1 1 7 7 SER HB3 H 1 3.865 0.020 . 1 . . . A 606 SER HB3 . 18986 1 55 . 1 1 7 7 SER C C 13 175.175 0.300 . 1 . . . A 606 SER C . 18986 1 56 . 1 1 7 7 SER CA C 13 58.748 0.300 . 1 . . . A 606 SER CA . 18986 1 57 . 1 1 7 7 SER CB C 13 63.759 0.300 . 1 . . . A 606 SER CB . 18986 1 58 . 1 1 7 7 SER N N 15 116.679 0.250 . 1 . . . A 606 SER N . 18986 1 59 . 1 1 8 8 GLY H H 1 8.386 0.020 . 1 . . . A 607 GLY H . 18986 1 60 . 1 1 8 8 GLY HA2 H 1 3.925 0.020 . 1 . . . A 607 GLY HA2 . 18986 1 61 . 1 1 8 8 GLY HA3 H 1 3.925 0.020 . 1 . . . A 607 GLY HA3 . 18986 1 62 . 1 1 8 8 GLY C C 13 173.893 0.300 . 1 . . . A 607 GLY C . 18986 1 63 . 1 1 8 8 GLY CA C 13 45.361 0.300 . 1 . . . A 607 GLY CA . 18986 1 64 . 1 1 8 8 GLY N N 15 110.716 0.250 . 1 . . . A 607 GLY N . 18986 1 65 . 1 1 9 9 LYS H H 1 8.008 0.020 . 1 . . . A 608 LYS H . 18986 1 66 . 1 1 9 9 LYS HA H 1 4.339 0.020 . 1 . . . A 608 LYS HA . 18986 1 67 . 1 1 9 9 LYS HB2 H 1 1.707 0.020 . 2 . . . A 608 LYS HB2 . 18986 1 68 . 1 1 9 9 LYS HB3 H 1 1.791 0.020 . 2 . . . A 608 LYS HB3 . 18986 1 69 . 1 1 9 9 LYS HG2 H 1 1.394 0.020 . 2 . . . A 608 LYS HG2 . 18986 1 70 . 1 1 9 9 LYS HG3 H 1 1.329 0.020 . 2 . . . A 608 LYS HG3 . 18986 1 71 . 1 1 9 9 LYS HD2 H 1 1.654 0.020 . 1 . . . A 608 LYS HD2 . 18986 1 72 . 1 1 9 9 LYS HD3 H 1 1.654 0.020 . 1 . . . A 608 LYS HD3 . 18986 1 73 . 1 1 9 9 LYS HE2 H 1 2.905 0.020 . 1 . . . A 608 LYS HE2 . 18986 1 74 . 1 1 9 9 LYS HE3 H 1 2.905 0.020 . 1 . . . A 608 LYS HE3 . 18986 1 75 . 1 1 9 9 LYS C C 13 176.393 0.300 . 1 . . . A 608 LYS C . 18986 1 76 . 1 1 9 9 LYS CA C 13 56.085 0.300 . 1 . . . A 608 LYS CA . 18986 1 77 . 1 1 9 9 LYS CB C 13 33.251 0.300 . 1 . . . A 608 LYS CB . 18986 1 78 . 1 1 9 9 LYS CG C 13 24.729 0.300 . 1 . . . A 608 LYS CG . 18986 1 79 . 1 1 9 9 LYS CD C 13 28.932 0.300 . 1 . . . A 608 LYS CD . 18986 1 80 . 1 1 9 9 LYS CE C 13 42.065 0.300 . 1 . . . A 608 LYS CE . 18986 1 81 . 1 1 9 9 LYS N N 15 120.785 0.250 . 1 . . . A 608 LYS N . 18986 1 82 . 1 1 10 10 ILE H H 1 8.186 0.020 . 1 . . . A 609 ILE H . 18986 1 83 . 1 1 10 10 ILE HA H 1 4.149 0.020 . 1 . . . A 609 ILE HA . 18986 1 84 . 1 1 10 10 ILE HB H 1 1.813 0.020 . 1 . . . A 609 ILE HB . 18986 1 85 . 1 1 10 10 ILE HG12 H 1 1.441 0.020 . 2 . . . A 609 ILE HG12 . 18986 1 86 . 1 1 10 10 ILE HG13 H 1 1.160 0.020 . 2 . . . A 609 ILE HG13 . 18986 1 87 . 1 1 10 10 ILE HG21 H 1 0.844 0.020 . 1 . . . A 609 ILE HG21 . 18986 1 88 . 1 1 10 10 ILE HG22 H 1 0.844 0.020 . 1 . . . A 609 ILE HG21 . 18986 1 89 . 1 1 10 10 ILE HG23 H 1 0.844 0.020 . 1 . . . A 609 ILE HG21 . 18986 1 90 . 1 1 10 10 ILE HD11 H 1 0.817 0.020 . 1 . . . A 609 ILE HD11 . 18986 1 91 . 1 1 10 10 ILE HD12 H 1 0.817 0.020 . 1 . . . A 609 ILE HD11 . 18986 1 92 . 1 1 10 10 ILE HD13 H 1 0.817 0.020 . 1 . . . A 609 ILE HD11 . 18986 1 93 . 1 1 10 10 ILE C C 13 175.395 0.300 . 1 . . . A 609 ILE C . 18986 1 94 . 1 1 10 10 ILE CA C 13 60.723 0.300 . 1 . . . A 609 ILE CA . 18986 1 95 . 1 1 10 10 ILE CB C 13 38.924 0.300 . 1 . . . A 609 ILE CB . 18986 1 96 . 1 1 10 10 ILE CG1 C 13 27.330 0.300 . 1 . . . A 609 ILE CG1 . 18986 1 97 . 1 1 10 10 ILE CG2 C 13 17.605 0.300 . 1 . . . A 609 ILE CG2 . 18986 1 98 . 1 1 10 10 ILE CD1 C 13 12.979 0.300 . 1 . . . A 609 ILE CD1 . 18986 1 99 . 1 1 10 10 ILE N N 15 122.404 0.250 . 1 . . . A 609 ILE N . 18986 1 100 . 1 1 11 11 ASP H H 1 8.369 0.020 . 1 . . . A 610 ASP H . 18986 1 101 . 1 1 11 11 ASP HA H 1 4.703 0.020 . 1 . . . A 610 ASP HA . 18986 1 102 . 1 1 11 11 ASP HB2 H 1 2.608 0.020 . 2 . . . A 610 ASP HB2 . 18986 1 103 . 1 1 11 11 ASP HB3 H 1 2.788 0.020 . 2 . . . A 610 ASP HB3 . 18986 1 104 . 1 1 11 11 ASP C C 13 176.388 0.300 . 1 . . . A 610 ASP C . 18986 1 105 . 1 1 11 11 ASP CA C 13 53.422 0.300 . 1 . . . A 610 ASP CA . 18986 1 106 . 1 1 11 11 ASP CB C 13 41.410 0.300 . 1 . . . A 610 ASP CB . 18986 1 107 . 1 1 11 11 ASP N N 15 125.357 0.250 . 1 . . . A 610 ASP N . 18986 1 108 . 1 1 12 12 ILE H H 1 8.284 0.020 . 1 . . . A 611 ILE H . 18986 1 109 . 1 1 12 12 ILE HA H 1 3.909 0.020 . 1 . . . A 611 ILE HA . 18986 1 110 . 1 1 12 12 ILE HB H 1 1.871 0.020 . 1 . . . A 611 ILE HB . 18986 1 111 . 1 1 12 12 ILE HG12 H 1 1.212 0.020 . 2 . . . A 611 ILE HG12 . 18986 1 112 . 1 1 12 12 ILE HG13 H 1 1.473 0.020 . 2 . . . A 611 ILE HG13 . 18986 1 113 . 1 1 12 12 ILE HG21 H 1 0.914 0.020 . 1 . . . A 611 ILE HG21 . 18986 1 114 . 1 1 12 12 ILE HG22 H 1 0.914 0.020 . 1 . . . A 611 ILE HG21 . 18986 1 115 . 1 1 12 12 ILE HG23 H 1 0.914 0.020 . 1 . . . A 611 ILE HG21 . 18986 1 116 . 1 1 12 12 ILE HD11 H 1 0.856 0.020 . 1 . . . A 611 ILE HD11 . 18986 1 117 . 1 1 12 12 ILE HD12 H 1 0.856 0.020 . 1 . . . A 611 ILE HD11 . 18986 1 118 . 1 1 12 12 ILE HD13 H 1 0.856 0.020 . 1 . . . A 611 ILE HD11 . 18986 1 119 . 1 1 12 12 ILE C C 13 176.338 0.300 . 1 . . . A 611 ILE C . 18986 1 120 . 1 1 12 12 ILE CA C 13 62.760 0.300 . 1 . . . A 611 ILE CA . 18986 1 121 . 1 1 12 12 ILE CB C 13 38.518 0.300 . 1 . . . A 611 ILE CB . 18986 1 122 . 1 1 12 12 ILE CG1 C 13 28.271 0.300 . 1 . . . A 611 ILE CG1 . 18986 1 123 . 1 1 12 12 ILE CG2 C 13 17.660 0.300 . 1 . . . A 611 ILE CG2 . 18986 1 124 . 1 1 12 12 ILE CD1 C 13 13.527 0.300 . 1 . . . A 611 ILE CD1 . 18986 1 125 . 1 1 12 12 ILE N N 15 122.494 0.250 . 1 . . . A 611 ILE N . 18986 1 126 . 1 1 13 13 ASP H H 1 8.279 0.020 . 1 . . . A 612 ASP H . 18986 1 127 . 1 1 13 13 ASP HA H 1 4.434 0.020 . 1 . . . A 612 ASP HA . 18986 1 128 . 1 1 13 13 ASP HB2 H 1 2.640 0.020 . 1 . . . A 612 ASP HB2 . 18986 1 129 . 1 1 13 13 ASP HB3 H 1 2.640 0.020 . 1 . . . A 612 ASP HB3 . 18986 1 130 . 1 1 13 13 ASP C C 13 177.849 0.300 . 1 . . . A 612 ASP C . 18986 1 131 . 1 1 13 13 ASP CA C 13 56.486 0.300 . 1 . . . A 612 ASP CA . 18986 1 132 . 1 1 13 13 ASP CB C 13 40.858 0.300 . 1 . . . A 612 ASP CB . 18986 1 133 . 1 1 13 13 ASP N N 15 121.440 0.250 . 1 . . . A 612 ASP N . 18986 1 134 . 1 1 14 14 THR H H 1 7.866 0.020 . 1 . . . A 613 THR H . 18986 1 135 . 1 1 14 14 THR HA H 1 4.106 0.020 . 1 . . . A 613 THR HA . 18986 1 136 . 1 1 14 14 THR HB H 1 4.210 0.020 . 1 . . . A 613 THR HB . 18986 1 137 . 1 1 14 14 THR HG21 H 1 1.193 0.020 . 1 . . . A 613 THR HG21 . 18986 1 138 . 1 1 14 14 THR HG22 H 1 1.193 0.020 . 1 . . . A 613 THR HG21 . 18986 1 139 . 1 1 14 14 THR HG23 H 1 1.193 0.020 . 1 . . . A 613 THR HG21 . 18986 1 140 . 1 1 14 14 THR C C 13 176.058 0.300 . 1 . . . A 613 THR C . 18986 1 141 . 1 1 14 14 THR CA C 13 64.265 0.300 . 1 . . . A 613 THR CA . 18986 1 142 . 1 1 14 14 THR CB C 13 68.987 0.300 . 1 . . . A 613 THR CB . 18986 1 143 . 1 1 14 14 THR CG2 C 13 21.778 0.300 . 1 . . . A 613 THR CG2 . 18986 1 144 . 1 1 14 14 THR N N 15 114.422 0.250 . 1 . . . A 613 THR N . 18986 1 145 . 1 1 15 15 ILE H H 1 7.819 0.020 . 1 . . . A 614 ILE H . 18986 1 146 . 1 1 15 15 ILE HA H 1 4.029 0.020 . 1 . . . A 614 ILE HA . 18986 1 147 . 1 1 15 15 ILE HB H 1 1.907 0.020 . 1 . . . A 614 ILE HB . 18986 1 148 . 1 1 15 15 ILE HG12 H 1 1.544 0.020 . 2 . . . A 614 ILE HG12 . 18986 1 149 . 1 1 15 15 ILE HG13 H 1 1.205 0.020 . 2 . . . A 614 ILE HG13 . 18986 1 150 . 1 1 15 15 ILE HG21 H 1 0.738 0.020 . 1 . . . A 614 ILE HG21 . 18986 1 151 . 1 1 15 15 ILE HG22 H 1 0.738 0.020 . 1 . . . A 614 ILE HG21 . 18986 1 152 . 1 1 15 15 ILE HG23 H 1 0.738 0.020 . 1 . . . A 614 ILE HG21 . 18986 1 153 . 1 1 15 15 ILE HD11 H 1 0.824 0.020 . 1 . . . A 614 ILE HD11 . 18986 1 154 . 1 1 15 15 ILE HD12 H 1 0.824 0.020 . 1 . . . A 614 ILE HD11 . 18986 1 155 . 1 1 15 15 ILE HD13 H 1 0.824 0.020 . 1 . . . A 614 ILE HD11 . 18986 1 156 . 1 1 15 15 ILE C C 13 177.191 0.300 . 1 . . . A 614 ILE C . 18986 1 157 . 1 1 15 15 ILE CA C 13 62.893 0.300 . 1 . . . A 614 ILE CA . 18986 1 158 . 1 1 15 15 ILE CB C 13 38.535 0.300 . 1 . . . A 614 ILE CB . 18986 1 159 . 1 1 15 15 ILE CG1 C 13 28.174 0.300 . 1 . . . A 614 ILE CG1 . 18986 1 160 . 1 1 15 15 ILE CG2 C 13 17.029 0.300 . 1 . . . A 614 ILE CG2 . 18986 1 161 . 1 1 15 15 ILE CD1 C 13 13.448 0.300 . 1 . . . A 614 ILE CD1 . 18986 1 162 . 1 1 15 15 ILE N N 15 121.654 0.250 . 1 . . . A 614 ILE N . 18986 1 163 . 1 1 16 16 MET H H 1 8.188 0.020 . 1 . . . A 615 MET H . 18986 1 164 . 1 1 16 16 MET HA H 1 4.478 0.020 . 1 . . . A 615 MET HA . 18986 1 165 . 1 1 16 16 MET HB2 H 1 2.094 0.020 . 2 . . . A 615 MET HB2 . 18986 1 166 . 1 1 16 16 MET HB3 H 1 2.037 0.020 . 2 . . . A 615 MET HB3 . 18986 1 167 . 1 1 16 16 MET HG2 H 1 2.668 0.020 . 2 . . . A 615 MET HG2 . 18986 1 168 . 1 1 16 16 MET HG3 H 1 2.529 0.020 . 2 . . . A 615 MET HG3 . 18986 1 169 . 1 1 16 16 MET HE1 H 1 2.060 0.020 . 1 . . . A 615 MET HE1 . 18986 1 170 . 1 1 16 16 MET HE2 H 1 2.060 0.020 . 1 . . . A 615 MET HE1 . 18986 1 171 . 1 1 16 16 MET HE3 H 1 2.060 0.020 . 1 . . . A 615 MET HE1 . 18986 1 172 . 1 1 16 16 MET C C 13 176.795 0.300 . 1 . . . A 615 MET C . 18986 1 173 . 1 1 16 16 MET CA C 13 55.484 0.300 . 1 . . . A 615 MET CA . 18986 1 174 . 1 1 16 16 MET CB C 13 32.057 0.300 . 1 . . . A 615 MET CB . 18986 1 175 . 1 1 16 16 MET CG C 13 32.831 0.300 . 1 . . . A 615 MET CG . 18986 1 176 . 1 1 16 16 MET CE C 13 16.705 0.300 . 1 . . . A 615 MET CE . 18986 1 177 . 1 1 16 16 MET N N 15 119.713 0.250 . 1 . . . A 615 MET N . 18986 1 178 . 1 1 17 17 THR H H 1 7.722 0.020 . 1 . . . A 616 THR H . 18986 1 179 . 1 1 17 17 THR HA H 1 4.099 0.020 . 1 . . . A 616 THR HA . 18986 1 180 . 1 1 17 17 THR HB H 1 4.213 0.020 . 1 . . . A 616 THR HB . 18986 1 181 . 1 1 17 17 THR HG21 H 1 1.220 0.020 . 1 . . . A 616 THR HG21 . 18986 1 182 . 1 1 17 17 THR HG22 H 1 1.220 0.020 . 1 . . . A 616 THR HG21 . 18986 1 183 . 1 1 17 17 THR HG23 H 1 1.220 0.020 . 1 . . . A 616 THR HG21 . 18986 1 184 . 1 1 17 17 THR C C 13 175.255 0.300 . 1 . . . A 616 THR C . 18986 1 185 . 1 1 17 17 THR CA C 13 63.832 0.300 . 1 . . . A 616 THR CA . 18986 1 186 . 1 1 17 17 THR CB C 13 69.337 0.300 . 1 . . . A 616 THR CB . 18986 1 187 . 1 1 17 17 THR CG2 C 13 21.327 0.300 . 1 . . . A 616 THR CG2 . 18986 1 188 . 1 1 17 17 THR N N 15 114.770 0.250 . 1 . . . A 616 THR N . 18986 1 189 . 1 1 18 18 GLY H H 1 8.431 0.020 . 1 . . . A 617 GLY H . 18986 1 190 . 1 1 18 18 GLY HA2 H 1 3.965 0.020 . 1 . . . A 617 GLY HA2 . 18986 1 191 . 1 1 18 18 GLY HA3 H 1 3.965 0.020 . 1 . . . A 617 GLY HA3 . 18986 1 192 . 1 1 18 18 GLY C C 13 174.157 0.300 . 1 . . . A 617 GLY C . 18986 1 193 . 1 1 18 18 GLY CA C 13 45.162 0.300 . 1 . . . A 617 GLY CA . 18986 1 194 . 1 1 18 18 GLY N N 15 111.384 0.250 . 1 . . . A 617 GLY N . 18986 1 195 . 1 1 19 19 LYS H H 1 7.821 0.020 . 1 . . . A 618 LYS H . 18986 1 196 . 1 1 19 19 LYS HA H 1 4.667 0.020 . 1 . . . A 618 LYS HA . 18986 1 197 . 1 1 19 19 LYS HB2 H 1 1.807 0.020 . 2 . . . A 618 LYS HB2 . 18986 1 198 . 1 1 19 19 LYS HB3 H 1 1.710 0.020 . 2 . . . A 618 LYS HB3 . 18986 1 199 . 1 1 19 19 LYS HG2 H 1 1.451 0.020 . 1 . . . A 618 LYS HG2 . 18986 1 200 . 1 1 19 19 LYS HG3 H 1 1.451 0.020 . 1 . . . A 618 LYS HG3 . 18986 1 201 . 1 1 19 19 LYS HD2 H 1 1.645 0.020 . 1 . . . A 618 LYS HD2 . 18986 1 202 . 1 1 19 19 LYS HD3 H 1 1.645 0.020 . 1 . . . A 618 LYS HD3 . 18986 1 203 . 1 1 19 19 LYS HE2 H 1 2.979 0.020 . 1 . . . A 618 LYS HE2 . 18986 1 204 . 1 1 19 19 LYS HE3 H 1 2.979 0.020 . 1 . . . A 618 LYS HE3 . 18986 1 205 . 1 1 19 19 LYS CA C 13 53.548 0.300 . 1 . . . A 618 LYS CA . 18986 1 206 . 1 1 19 19 LYS CB C 13 32.197 0.300 . 1 . . . A 618 LYS CB . 18986 1 207 . 1 1 19 19 LYS CG C 13 24.960 0.300 . 1 . . . A 618 LYS CG . 18986 1 208 . 1 1 19 19 LYS CD C 13 29.002 0.300 . 1 . . . A 618 LYS CD . 18986 1 209 . 1 1 19 19 LYS CE C 13 41.937 0.300 . 1 . . . A 618 LYS CE . 18986 1 210 . 1 1 19 19 LYS N N 15 120.996 0.250 . 1 . . . A 618 LYS N . 18986 1 211 . 1 1 20 20 PRO HA H 1 4.469 0.020 . 1 . . . A 619 PRO HA . 18986 1 212 . 1 1 20 20 PRO HB2 H 1 1.900 0.020 . 2 . . . A 619 PRO HB2 . 18986 1 213 . 1 1 20 20 PRO HB3 H 1 2.331 0.020 . 2 . . . A 619 PRO HB3 . 18986 1 214 . 1 1 20 20 PRO HG2 H 1 2.034 0.020 . 1 . . . A 619 PRO HG2 . 18986 1 215 . 1 1 20 20 PRO HG3 H 1 2.034 0.020 . 1 . . . A 619 PRO HG3 . 18986 1 216 . 1 1 20 20 PRO HD2 H 1 3.881 0.020 . 2 . . . A 619 PRO HD2 . 18986 1 217 . 1 1 20 20 PRO HD3 H 1 3.612 0.020 . 2 . . . A 619 PRO HD3 . 18986 1 218 . 1 1 20 20 PRO C C 13 177.173 0.300 . 1 . . . A 619 PRO C . 18986 1 219 . 1 1 20 20 PRO CA C 13 62.912 0.300 . 1 . . . A 619 PRO CA . 18986 1 220 . 1 1 20 20 PRO CB C 13 32.300 0.300 . 1 . . . A 619 PRO CB . 18986 1 221 . 1 1 20 20 PRO CG C 13 27.805 0.300 . 1 . . . A 619 PRO CG . 18986 1 222 . 1 1 20 20 PRO CD C 13 50.533 0.300 . 1 . . . A 619 PRO CD . 18986 1 223 . 1 1 21 21 LYS H H 1 8.728 0.020 . 1 . . . A 620 LYS H . 18986 1 224 . 1 1 21 21 LYS HA H 1 4.046 0.020 . 1 . . . A 620 LYS HA . 18986 1 225 . 1 1 21 21 LYS HB2 H 1 1.853 0.020 . 1 . . . A 620 LYS HB2 . 18986 1 226 . 1 1 21 21 LYS HB3 H 1 1.853 0.020 . 1 . . . A 620 LYS HB3 . 18986 1 227 . 1 1 21 21 LYS HG2 H 1 1.487 0.020 . 2 . . . A 620 LYS HG2 . 18986 1 228 . 1 1 21 21 LYS HG3 H 1 1.412 0.020 . 2 . . . A 620 LYS HG3 . 18986 1 229 . 1 1 21 21 LYS HD2 H 1 1.731 0.020 . 2 . . . A 620 LYS HD2 . 18986 1 230 . 1 1 21 21 LYS HD3 H 1 1.691 0.020 . 2 . . . A 620 LYS HD3 . 18986 1 231 . 1 1 21 21 LYS HE2 H 1 2.978 0.020 . 2 . . . A 620 LYS HE2 . 18986 1 232 . 1 1 21 21 LYS HE3 H 1 2.911 0.020 . 2 . . . A 620 LYS HE3 . 18986 1 233 . 1 1 21 21 LYS C C 13 177.615 0.300 . 1 . . . A 620 LYS C . 18986 1 234 . 1 1 21 21 LYS CA C 13 59.009 0.300 . 1 . . . A 620 LYS CA . 18986 1 235 . 1 1 21 21 LYS CB C 13 33.174 0.300 . 1 . . . A 620 LYS CB . 18986 1 236 . 1 1 21 21 LYS CG C 13 24.944 0.300 . 1 . . . A 620 LYS CG . 18986 1 237 . 1 1 21 21 LYS CD C 13 29.313 0.300 . 1 . . . A 620 LYS CD . 18986 1 238 . 1 1 21 21 LYS CE C 13 41.922 0.300 . 1 . . . A 620 LYS CE . 18986 1 239 . 1 1 21 21 LYS N N 15 123.464 0.250 . 1 . . . A 620 LYS N . 18986 1 240 . 1 1 22 22 SER H H 1 8.531 0.020 . 1 . . . A 621 SER H . 18986 1 241 . 1 1 22 22 SER HA H 1 4.336 0.020 . 1 . . . A 621 SER HA . 18986 1 242 . 1 1 22 22 SER HB2 H 1 3.937 0.020 . 2 . . . A 621 SER HB2 . 18986 1 243 . 1 1 22 22 SER HB3 H 1 4.037 0.020 . 2 . . . A 621 SER HB3 . 18986 1 244 . 1 1 22 22 SER C C 13 175.869 0.300 . 1 . . . A 621 SER C . 18986 1 245 . 1 1 22 22 SER CA C 13 59.411 0.300 . 1 . . . A 621 SER CA . 18986 1 246 . 1 1 22 22 SER CB C 13 63.409 0.300 . 1 . . . A 621 SER CB . 18986 1 247 . 1 1 22 22 SER N N 15 113.921 0.250 . 1 . . . A 621 SER N . 18986 1 248 . 1 1 23 23 ALA H H 1 7.835 0.020 . 1 . . . A 622 ALA H . 18986 1 249 . 1 1 23 23 ALA HA H 1 4.168 0.020 . 1 . . . A 622 ALA HA . 18986 1 250 . 1 1 23 23 ALA HB1 H 1 1.486 0.020 . 1 . . . A 622 ALA HB1 . 18986 1 251 . 1 1 23 23 ALA HB2 H 1 1.486 0.020 . 1 . . . A 622 ALA HB1 . 18986 1 252 . 1 1 23 23 ALA HB3 H 1 1.486 0.020 . 1 . . . A 622 ALA HB1 . 18986 1 253 . 1 1 23 23 ALA C C 13 179.524 0.300 . 1 . . . A 622 ALA C . 18986 1 254 . 1 1 23 23 ALA CA C 13 55.088 0.300 . 1 . . . A 622 ALA CA . 18986 1 255 . 1 1 23 23 ALA CB C 13 18.574 0.300 . 1 . . . A 622 ALA CB . 18986 1 256 . 1 1 23 23 ALA N N 15 124.177 0.250 . 1 . . . A 622 ALA N . 18986 1 257 . 1 1 24 24 ARG H H 1 8.148 0.020 . 1 . . . A 623 ARG H . 18986 1 258 . 1 1 24 24 ARG HA H 1 3.950 0.020 . 1 . . . A 623 ARG HA . 18986 1 259 . 1 1 24 24 ARG HB2 H 1 1.923 0.020 . 2 . . . A 623 ARG HB2 . 18986 1 260 . 1 1 24 24 ARG HB3 H 1 1.844 0.020 . 2 . . . A 623 ARG HB3 . 18986 1 261 . 1 1 24 24 ARG HG2 H 1 1.651 0.020 . 2 . . . A 623 ARG HG2 . 18986 1 262 . 1 1 24 24 ARG HG3 H 1 1.547 0.020 . 2 . . . A 623 ARG HG3 . 18986 1 263 . 1 1 24 24 ARG HD2 H 1 3.210 0.020 . 1 . . . A 623 ARG HD2 . 18986 1 264 . 1 1 24 24 ARG HD3 H 1 3.210 0.020 . 1 . . . A 623 ARG HD3 . 18986 1 265 . 1 1 24 24 ARG C C 13 178.403 0.300 . 1 . . . A 623 ARG C . 18986 1 266 . 1 1 24 24 ARG CA C 13 59.883 0.300 . 1 . . . A 623 ARG CA . 18986 1 267 . 1 1 24 24 ARG CB C 13 30.171 0.300 . 1 . . . A 623 ARG CB . 18986 1 268 . 1 1 24 24 ARG CG C 13 27.822 0.300 . 1 . . . A 623 ARG CG . 18986 1 269 . 1 1 24 24 ARG CD C 13 43.497 0.300 . 1 . . . A 623 ARG CD . 18986 1 270 . 1 1 24 24 ARG N N 15 118.263 0.250 . 1 . . . A 623 ARG N . 18986 1 271 . 1 1 25 25 GLU H H 1 8.143 0.020 . 1 . . . A 624 GLU H . 18986 1 272 . 1 1 25 25 GLU HA H 1 3.968 0.020 . 1 . . . A 624 GLU HA . 18986 1 273 . 1 1 25 25 GLU HB2 H 1 2.160 0.020 . 2 . . . A 624 GLU HB2 . 18986 1 274 . 1 1 25 25 GLU HB3 H 1 1.987 0.020 . 2 . . . A 624 GLU HB3 . 18986 1 275 . 1 1 25 25 GLU HG2 H 1 2.388 0.020 . 2 . . . A 624 GLU HG2 . 18986 1 276 . 1 1 25 25 GLU HG3 H 1 2.246 0.020 . 2 . . . A 624 GLU HG3 . 18986 1 277 . 1 1 25 25 GLU C C 13 179.924 0.300 . 1 . . . A 624 GLU C . 18986 1 278 . 1 1 25 25 GLU CA C 13 59.577 0.300 . 1 . . . A 624 GLU CA . 18986 1 279 . 1 1 25 25 GLU CB C 13 29.687 0.300 . 1 . . . A 624 GLU CB . 18986 1 280 . 1 1 25 25 GLU CG C 13 36.955 0.300 . 1 . . . A 624 GLU CG . 18986 1 281 . 1 1 25 25 GLU N N 15 117.953 0.250 . 1 . . . A 624 GLU N . 18986 1 282 . 1 1 26 26 LYS H H 1 7.772 0.020 . 1 . . . A 625 LYS H . 18986 1 283 . 1 1 26 26 LYS HA H 1 3.857 0.020 . 1 . . . A 625 LYS HA . 18986 1 284 . 1 1 26 26 LYS HB2 H 1 1.573 0.020 . 2 . . . A 625 LYS HB2 . 18986 1 285 . 1 1 26 26 LYS HB3 H 1 1.954 0.020 . 2 . . . A 625 LYS HB3 . 18986 1 286 . 1 1 26 26 LYS HG2 H 1 1.721 0.020 . 2 . . . A 625 LYS HG2 . 18986 1 287 . 1 1 26 26 LYS HG3 H 1 1.260 0.020 . 2 . . . A 625 LYS HG3 . 18986 1 288 . 1 1 26 26 LYS HD2 H 1 1.595 0.020 . 2 . . . A 625 LYS HD2 . 18986 1 289 . 1 1 26 26 LYS HD3 H 1 1.717 0.020 . 2 . . . A 625 LYS HD3 . 18986 1 290 . 1 1 26 26 LYS HE2 H 1 2.984 0.020 . 2 . . . A 625 LYS HE2 . 18986 1 291 . 1 1 26 26 LYS HE3 H 1 2.905 0.020 . 2 . . . A 625 LYS HE3 . 18986 1 292 . 1 1 26 26 LYS C C 13 178.200 0.300 . 1 . . . A 625 LYS C . 18986 1 293 . 1 1 26 26 LYS CA C 13 60.207 0.300 . 1 . . . A 625 LYS CA . 18986 1 294 . 1 1 26 26 LYS CB C 13 33.383 0.300 . 1 . . . A 625 LYS CB . 18986 1 295 . 1 1 26 26 LYS CG C 13 26.517 0.300 . 1 . . . A 625 LYS CG . 18986 1 296 . 1 1 26 26 LYS CD C 13 29.148 0.300 . 1 . . . A 625 LYS CD . 18986 1 297 . 1 1 26 26 LYS CE C 13 41.907 0.300 . 1 . . . A 625 LYS CE . 18986 1 298 . 1 1 26 26 LYS N N 15 119.222 0.250 . 1 . . . A 625 LYS N . 18986 1 299 . 1 1 27 27 MET H H 1 8.367 0.020 . 1 . . . A 626 MET H . 18986 1 300 . 1 1 27 27 MET HA H 1 3.807 0.020 . 1 . . . A 626 MET HA . 18986 1 301 . 1 1 27 27 MET HB2 H 1 2.054 0.020 . 2 . . . A 626 MET HB2 . 18986 1 302 . 1 1 27 27 MET HB3 H 1 2.249 0.020 . 2 . . . A 626 MET HB3 . 18986 1 303 . 1 1 27 27 MET HG2 H 1 2.891 0.020 . 2 . . . A 626 MET HG2 . 18986 1 304 . 1 1 27 27 MET HG3 H 1 2.442 0.020 . 2 . . . A 626 MET HG3 . 18986 1 305 . 1 1 27 27 MET HE1 H 1 1.892 0.020 . 1 . . . A 626 MET HE1 . 18986 1 306 . 1 1 27 27 MET HE2 H 1 1.892 0.020 . 1 . . . A 626 MET HE1 . 18986 1 307 . 1 1 27 27 MET HE3 H 1 1.892 0.020 . 1 . . . A 626 MET HE1 . 18986 1 308 . 1 1 27 27 MET C C 13 177.998 0.300 . 1 . . . A 626 MET C . 18986 1 309 . 1 1 27 27 MET CA C 13 60.502 0.300 . 1 . . . A 626 MET CA . 18986 1 310 . 1 1 27 27 MET CB C 13 33.377 0.300 . 1 . . . A 626 MET CB . 18986 1 311 . 1 1 27 27 MET CG C 13 34.063 0.300 . 1 . . . A 626 MET CG . 18986 1 312 . 1 1 27 27 MET CE C 13 17.572 0.300 . 1 . . . A 626 MET CE . 18986 1 313 . 1 1 27 27 MET N N 15 117.883 0.250 . 1 . . . A 626 MET N . 18986 1 314 . 1 1 28 28 MET H H 1 8.197 0.020 . 1 . . . A 627 MET H . 18986 1 315 . 1 1 28 28 MET HA H 1 4.152 0.020 . 1 . . . A 627 MET HA . 18986 1 316 . 1 1 28 28 MET HB2 H 1 2.130 0.020 . 1 . . . A 627 MET HB2 . 18986 1 317 . 1 1 28 28 MET HB3 H 1 2.130 0.020 . 1 . . . A 627 MET HB3 . 18986 1 318 . 1 1 28 28 MET HG2 H 1 2.741 0.020 . 2 . . . A 627 MET HG2 . 18986 1 319 . 1 1 28 28 MET HG3 H 1 2.648 0.020 . 2 . . . A 627 MET HG3 . 18986 1 320 . 1 1 28 28 MET HE1 H 1 2.045 0.020 . 1 . . . A 627 MET HE1 . 18986 1 321 . 1 1 28 28 MET HE2 H 1 2.045 0.020 . 1 . . . A 627 MET HE1 . 18986 1 322 . 1 1 28 28 MET HE3 H 1 2.045 0.020 . 1 . . . A 627 MET HE1 . 18986 1 323 . 1 1 28 28 MET C C 13 179.113 0.300 . 1 . . . A 627 MET C . 18986 1 324 . 1 1 28 28 MET CA C 13 58.079 0.300 . 1 . . . A 627 MET CA . 18986 1 325 . 1 1 28 28 MET CB C 13 31.523 0.300 . 1 . . . A 627 MET CB . 18986 1 326 . 1 1 28 28 MET CG C 13 32.339 0.300 . 1 . . . A 627 MET CG . 18986 1 327 . 1 1 28 28 MET CE C 13 16.930 0.300 . 1 . . . A 627 MET CE . 18986 1 328 . 1 1 28 28 MET N N 15 116.185 0.250 . 1 . . . A 627 MET N . 18986 1 329 . 1 1 29 29 LYS H H 1 7.700 0.020 . 1 . . . A 628 LYS H . 18986 1 330 . 1 1 29 29 LYS HA H 1 4.200 0.020 . 1 . . . A 628 LYS HA . 18986 1 331 . 1 1 29 29 LYS HB2 H 1 1.985 0.020 . 2 . . . A 628 LYS HB2 . 18986 1 332 . 1 1 29 29 LYS HB3 H 1 1.888 0.020 . 2 . . . A 628 LYS HB3 . 18986 1 333 . 1 1 29 29 LYS HG2 H 1 1.459 0.020 . 2 . . . A 628 LYS HG2 . 18986 1 334 . 1 1 29 29 LYS HG3 H 1 1.573 0.020 . 2 . . . A 628 LYS HG3 . 18986 1 335 . 1 1 29 29 LYS HD2 H 1 1.741 0.020 . 1 . . . A 628 LYS HD2 . 18986 1 336 . 1 1 29 29 LYS HD3 H 1 1.741 0.020 . 1 . . . A 628 LYS HD3 . 18986 1 337 . 1 1 29 29 LYS HE2 H 1 2.971 0.020 . 2 . . . A 628 LYS HE2 . 18986 1 338 . 1 1 29 29 LYS HE3 H 1 2.908 0.020 . 2 . . . A 628 LYS HE3 . 18986 1 339 . 1 1 29 29 LYS C C 13 178.605 0.300 . 1 . . . A 628 LYS C . 18986 1 340 . 1 1 29 29 LYS CA C 13 57.797 0.300 . 1 . . . A 628 LYS CA . 18986 1 341 . 1 1 29 29 LYS CB C 13 31.251 0.300 . 1 . . . A 628 LYS CB . 18986 1 342 . 1 1 29 29 LYS CG C 13 24.708 0.300 . 1 . . . A 628 LYS CG . 18986 1 343 . 1 1 29 29 LYS CD C 13 27.830 0.300 . 1 . . . A 628 LYS CD . 18986 1 344 . 1 1 29 29 LYS CE C 13 41.990 0.300 . 1 . . . A 628 LYS CE . 18986 1 345 . 1 1 29 29 LYS N N 15 119.859 0.250 . 1 . . . A 628 LYS N . 18986 1 346 . 1 1 30 30 ILE H H 1 7.970 0.020 . 1 . . . A 629 ILE H . 18986 1 347 . 1 1 30 30 ILE HA H 1 3.548 0.020 . 1 . . . A 629 ILE HA . 18986 1 348 . 1 1 30 30 ILE HB H 1 1.926 0.020 . 1 . . . A 629 ILE HB . 18986 1 349 . 1 1 30 30 ILE HG12 H 1 0.913 0.020 . 2 . . . A 629 ILE HG12 . 18986 1 350 . 1 1 30 30 ILE HG13 H 1 1.650 0.020 . 2 . . . A 629 ILE HG13 . 18986 1 351 . 1 1 30 30 ILE HG21 H 1 0.654 0.020 . 1 . . . A 629 ILE HG21 . 18986 1 352 . 1 1 30 30 ILE HG22 H 1 0.654 0.020 . 1 . . . A 629 ILE HG21 . 18986 1 353 . 1 1 30 30 ILE HG23 H 1 0.654 0.020 . 1 . . . A 629 ILE HG21 . 18986 1 354 . 1 1 30 30 ILE HD11 H 1 0.664 0.020 . 1 . . . A 629 ILE HD11 . 18986 1 355 . 1 1 30 30 ILE HD12 H 1 0.664 0.020 . 1 . . . A 629 ILE HD11 . 18986 1 356 . 1 1 30 30 ILE HD13 H 1 0.664 0.020 . 1 . . . A 629 ILE HD11 . 18986 1 357 . 1 1 30 30 ILE C C 13 177.611 0.300 . 1 . . . A 629 ILE C . 18986 1 358 . 1 1 30 30 ILE CA C 13 64.985 0.300 . 1 . . . A 629 ILE CA . 18986 1 359 . 1 1 30 30 ILE CB C 13 36.569 0.300 . 1 . . . A 629 ILE CB . 18986 1 360 . 1 1 30 30 ILE CG1 C 13 29.596 0.300 . 1 . . . A 629 ILE CG1 . 18986 1 361 . 1 1 30 30 ILE CG2 C 13 18.059 0.300 . 1 . . . A 629 ILE CG2 . 18986 1 362 . 1 1 30 30 ILE CD1 C 13 14.040 0.300 . 1 . . . A 629 ILE CD1 . 18986 1 363 . 1 1 30 30 ILE N N 15 119.001 0.250 . 1 . . . A 629 ILE N . 18986 1 364 . 1 1 31 31 ILE H H 1 8.213 0.020 . 1 . . . A 630 ILE H . 18986 1 365 . 1 1 31 31 ILE HA H 1 3.467 0.020 . 1 . . . A 630 ILE HA . 18986 1 366 . 1 1 31 31 ILE HB H 1 1.982 0.020 . 1 . . . A 630 ILE HB . 18986 1 367 . 1 1 31 31 ILE HG12 H 1 0.921 0.020 . 2 . . . A 630 ILE HG12 . 18986 1 368 . 1 1 31 31 ILE HG13 H 1 1.636 0.020 . 2 . . . A 630 ILE HG13 . 18986 1 369 . 1 1 31 31 ILE HG21 H 1 0.874 0.020 . 1 . . . A 630 ILE HG21 . 18986 1 370 . 1 1 31 31 ILE HG22 H 1 0.874 0.020 . 1 . . . A 630 ILE HG21 . 18986 1 371 . 1 1 31 31 ILE HG23 H 1 0.874 0.020 . 1 . . . A 630 ILE HG21 . 18986 1 372 . 1 1 31 31 ILE HD11 H 1 0.756 0.020 . 1 . . . A 630 ILE HD11 . 18986 1 373 . 1 1 31 31 ILE HD12 H 1 0.756 0.020 . 1 . . . A 630 ILE HD11 . 18986 1 374 . 1 1 31 31 ILE HD13 H 1 0.756 0.020 . 1 . . . A 630 ILE HD11 . 18986 1 375 . 1 1 31 31 ILE C C 13 176.595 0.300 . 1 . . . A 630 ILE C . 18986 1 376 . 1 1 31 31 ILE CA C 13 65.474 0.300 . 1 . . . A 630 ILE CA . 18986 1 377 . 1 1 31 31 ILE CB C 13 36.997 0.300 . 1 . . . A 630 ILE CB . 18986 1 378 . 1 1 31 31 ILE CG1 C 13 29.647 0.300 . 1 . . . A 630 ILE CG1 . 18986 1 379 . 1 1 31 31 ILE CG2 C 13 17.865 0.300 . 1 . . . A 630 ILE CG2 . 18986 1 380 . 1 1 31 31 ILE CD1 C 13 12.900 0.300 . 1 . . . A 630 ILE CD1 . 18986 1 381 . 1 1 31 31 ILE N N 15 120.737 0.250 . 1 . . . A 630 ILE N . 18986 1 382 . 1 1 32 32 GLU H H 1 7.742 0.020 . 1 . . . A 631 GLU H . 18986 1 383 . 1 1 32 32 GLU HA H 1 4.065 0.020 . 1 . . . A 631 GLU HA . 18986 1 384 . 1 1 32 32 GLU HB2 H 1 2.205 0.020 . 2 . . . A 631 GLU HB2 . 18986 1 385 . 1 1 32 32 GLU HB3 H 1 2.241 0.020 . 2 . . . A 631 GLU HB3 . 18986 1 386 . 1 1 32 32 GLU HG2 H 1 2.466 0.020 . 1 . . . A 631 GLU HG2 . 18986 1 387 . 1 1 32 32 GLU HG3 H 1 2.466 0.020 . 1 . . . A 631 GLU HG3 . 18986 1 388 . 1 1 32 32 GLU C C 13 180.020 0.300 . 1 . . . A 631 GLU C . 18986 1 389 . 1 1 32 32 GLU CA C 13 59.700 0.300 . 1 . . . A 631 GLU CA . 18986 1 390 . 1 1 32 32 GLU CB C 13 29.713 0.300 . 1 . . . A 631 GLU CB . 18986 1 391 . 1 1 32 32 GLU CG C 13 36.450 0.300 . 1 . . . A 631 GLU CG . 18986 1 392 . 1 1 32 32 GLU N N 15 119.546 0.250 . 1 . . . A 631 GLU N . 18986 1 393 . 1 1 33 33 ILE H H 1 8.013 0.020 . 1 . . . A 632 ILE H . 18986 1 394 . 1 1 33 33 ILE HA H 1 3.683 0.020 . 1 . . . A 632 ILE HA . 18986 1 395 . 1 1 33 33 ILE HB H 1 2.015 0.020 . 1 . . . A 632 ILE HB . 18986 1 396 . 1 1 33 33 ILE HG12 H 1 1.049 0.020 . 2 . . . A 632 ILE HG12 . 18986 1 397 . 1 1 33 33 ILE HG13 H 1 1.870 0.020 . 2 . . . A 632 ILE HG13 . 18986 1 398 . 1 1 33 33 ILE HG21 H 1 0.892 0.020 . 1 . . . A 632 ILE HG21 . 18986 1 399 . 1 1 33 33 ILE HG22 H 1 0.892 0.020 . 1 . . . A 632 ILE HG21 . 18986 1 400 . 1 1 33 33 ILE HG23 H 1 0.892 0.020 . 1 . . . A 632 ILE HG21 . 18986 1 401 . 1 1 33 33 ILE HD11 H 1 0.692 0.020 . 1 . . . A 632 ILE HD11 . 18986 1 402 . 1 1 33 33 ILE HD12 H 1 0.692 0.020 . 1 . . . A 632 ILE HD11 . 18986 1 403 . 1 1 33 33 ILE HD13 H 1 0.692 0.020 . 1 . . . A 632 ILE HD11 . 18986 1 404 . 1 1 33 33 ILE C C 13 178.174 0.300 . 1 . . . A 632 ILE C . 18986 1 405 . 1 1 33 33 ILE CA C 13 65.376 0.300 . 1 . . . A 632 ILE CA . 18986 1 406 . 1 1 33 33 ILE CB C 13 38.550 0.300 . 1 . . . A 632 ILE CB . 18986 1 407 . 1 1 33 33 ILE CG1 C 13 29.269 0.300 . 1 . . . A 632 ILE CG1 . 18986 1 408 . 1 1 33 33 ILE CG2 C 13 18.476 0.300 . 1 . . . A 632 ILE CG2 . 18986 1 409 . 1 1 33 33 ILE CD1 C 13 13.389 0.300 . 1 . . . A 632 ILE CD1 . 18986 1 410 . 1 1 33 33 ILE N N 15 121.547 0.250 . 1 . . . A 632 ILE N . 18986 1 411 . 1 1 34 34 ILE H H 1 8.594 0.020 . 1 . . . A 633 ILE H . 18986 1 412 . 1 1 34 34 ILE HA H 1 3.335 0.020 . 1 . . . A 633 ILE HA . 18986 1 413 . 1 1 34 34 ILE HB H 1 1.910 0.020 . 1 . . . A 633 ILE HB . 18986 1 414 . 1 1 34 34 ILE HG12 H 1 1.821 0.020 . 2 . . . A 633 ILE HG12 . 18986 1 415 . 1 1 34 34 ILE HG13 H 1 0.673 0.020 . 2 . . . A 633 ILE HG13 . 18986 1 416 . 1 1 34 34 ILE HG21 H 1 0.822 0.020 . 1 . . . A 633 ILE HG21 . 18986 1 417 . 1 1 34 34 ILE HG22 H 1 0.822 0.020 . 1 . . . A 633 ILE HG21 . 18986 1 418 . 1 1 34 34 ILE HG23 H 1 0.822 0.020 . 1 . . . A 633 ILE HG21 . 18986 1 419 . 1 1 34 34 ILE HD11 H 1 0.566 0.020 . 1 . . . A 633 ILE HD11 . 18986 1 420 . 1 1 34 34 ILE HD12 H 1 0.566 0.020 . 1 . . . A 633 ILE HD11 . 18986 1 421 . 1 1 34 34 ILE HD13 H 1 0.566 0.020 . 1 . . . A 633 ILE HD11 . 18986 1 422 . 1 1 34 34 ILE C C 13 177.278 0.300 . 1 . . . A 633 ILE C . 18986 1 423 . 1 1 34 34 ILE CA C 13 66.639 0.300 . 1 . . . A 633 ILE CA . 18986 1 424 . 1 1 34 34 ILE CB C 13 38.004 0.300 . 1 . . . A 633 ILE CB . 18986 1 425 . 1 1 34 34 ILE CG1 C 13 30.410 0.300 . 1 . . . A 633 ILE CG1 . 18986 1 426 . 1 1 34 34 ILE CG2 C 13 15.797 0.300 . 1 . . . A 633 ILE CG2 . 18986 1 427 . 1 1 34 34 ILE CD1 C 13 14.971 0.300 . 1 . . . A 633 ILE CD1 . 18986 1 428 . 1 1 34 34 ILE N N 15 121.605 0.250 . 1 . . . A 633 ILE N . 18986 1 429 . 1 1 35 35 ASP H H 1 8.724 0.020 . 1 . . . A 634 ASP H . 18986 1 430 . 1 1 35 35 ASP HA H 1 4.435 0.020 . 1 . . . A 634 ASP HA . 18986 1 431 . 1 1 35 35 ASP HB2 H 1 2.747 0.020 . 2 . . . A 634 ASP HB2 . 18986 1 432 . 1 1 35 35 ASP HB3 H 1 2.579 0.020 . 2 . . . A 634 ASP HB3 . 18986 1 433 . 1 1 35 35 ASP C C 13 179.294 0.300 . 1 . . . A 634 ASP C . 18986 1 434 . 1 1 35 35 ASP CA C 13 57.291 0.300 . 1 . . . A 634 ASP CA . 18986 1 435 . 1 1 35 35 ASP CB C 13 40.634 0.300 . 1 . . . A 634 ASP CB . 18986 1 436 . 1 1 35 35 ASP N N 15 118.706 0.250 . 1 . . . A 634 ASP N . 18986 1 437 . 1 1 36 36 SER H H 1 7.992 0.020 . 1 . . . A 635 SER H . 18986 1 438 . 1 1 36 36 SER HA H 1 4.232 0.020 . 1 . . . A 635 SER HA . 18986 1 439 . 1 1 36 36 SER HB2 H 1 3.988 0.020 . 1 . . . A 635 SER HB2 . 18986 1 440 . 1 1 36 36 SER HB3 H 1 3.988 0.020 . 1 . . . A 635 SER HB3 . 18986 1 441 . 1 1 36 36 SER C C 13 177.207 0.300 . 1 . . . A 635 SER C . 18986 1 442 . 1 1 36 36 SER CA C 13 61.260 0.300 . 1 . . . A 635 SER CA . 18986 1 443 . 1 1 36 36 SER CB C 13 63.039 0.300 . 1 . . . A 635 SER CB . 18986 1 444 . 1 1 36 36 SER N N 15 114.064 0.250 . 1 . . . A 635 SER N . 18986 1 445 . 1 1 37 37 LEU H H 1 8.169 0.020 . 1 . . . A 636 LEU H . 18986 1 446 . 1 1 37 37 LEU HA H 1 4.254 0.020 . 1 . . . A 636 LEU HA . 18986 1 447 . 1 1 37 37 LEU HB2 H 1 1.938 0.020 . 2 . . . A 636 LEU HB2 . 18986 1 448 . 1 1 37 37 LEU HB3 H 1 1.555 0.020 . 2 . . . A 636 LEU HB3 . 18986 1 449 . 1 1 37 37 LEU HG H 1 1.875 0.020 . 1 . . . A 636 LEU HG . 18986 1 450 . 1 1 37 37 LEU HD11 H 1 0.930 0.020 . 2 . . . A 636 LEU HD11 . 18986 1 451 . 1 1 37 37 LEU HD12 H 1 0.930 0.020 . 2 . . . A 636 LEU HD11 . 18986 1 452 . 1 1 37 37 LEU HD13 H 1 0.930 0.020 . 2 . . . A 636 LEU HD11 . 18986 1 453 . 1 1 37 37 LEU HD21 H 1 0.736 0.020 . 2 . . . A 636 LEU HD21 . 18986 1 454 . 1 1 37 37 LEU HD22 H 1 0.736 0.020 . 2 . . . A 636 LEU HD21 . 18986 1 455 . 1 1 37 37 LEU HD23 H 1 0.736 0.020 . 2 . . . A 636 LEU HD21 . 18986 1 456 . 1 1 37 37 LEU C C 13 178.914 0.300 . 1 . . . A 636 LEU C . 18986 1 457 . 1 1 37 37 LEU CA C 13 56.815 0.300 . 1 . . . A 636 LEU CA . 18986 1 458 . 1 1 37 37 LEU CB C 13 42.426 0.300 . 1 . . . A 636 LEU CB . 18986 1 459 . 1 1 37 37 LEU CG C 13 27.437 0.300 . 1 . . . A 636 LEU CG . 18986 1 460 . 1 1 37 37 LEU CD1 C 13 22.481 0.300 . 2 . . . A 636 LEU CD1 . 18986 1 461 . 1 1 37 37 LEU CD2 C 13 27.312 0.300 . 2 . . . A 636 LEU CD2 . 18986 1 462 . 1 1 37 37 LEU N N 15 122.493 0.250 . 1 . . . A 636 LEU N . 18986 1 463 . 1 1 38 38 ALA H H 1 8.482 0.020 . 1 . . . A 637 ALA H . 18986 1 464 . 1 1 38 38 ALA HA H 1 4.089 0.020 . 1 . . . A 637 ALA HA . 18986 1 465 . 1 1 38 38 ALA HB1 H 1 1.474 0.020 . 1 . . . A 637 ALA HB1 . 18986 1 466 . 1 1 38 38 ALA HB2 H 1 1.474 0.020 . 1 . . . A 637 ALA HB1 . 18986 1 467 . 1 1 38 38 ALA HB3 H 1 1.474 0.020 . 1 . . . A 637 ALA HB1 . 18986 1 468 . 1 1 38 38 ALA C C 13 177.851 0.300 . 1 . . . A 637 ALA C . 18986 1 469 . 1 1 38 38 ALA CA C 13 53.056 0.300 . 1 . . . A 637 ALA CA . 18986 1 470 . 1 1 38 38 ALA CB C 13 18.208 0.300 . 1 . . . A 637 ALA CB . 18986 1 471 . 1 1 38 38 ALA N N 15 121.891 0.250 . 1 . . . A 637 ALA N . 18986 1 472 . 1 1 39 39 VAL H H 1 7.291 0.020 . 1 . . . A 638 VAL H . 18986 1 473 . 1 1 39 39 VAL HA H 1 3.935 0.020 . 1 . . . A 638 VAL HA . 18986 1 474 . 1 1 39 39 VAL HB H 1 2.159 0.020 . 1 . . . A 638 VAL HB . 18986 1 475 . 1 1 39 39 VAL HG11 H 1 1.075 0.020 . 2 . . . A 638 VAL HG11 . 18986 1 476 . 1 1 39 39 VAL HG12 H 1 1.075 0.020 . 2 . . . A 638 VAL HG11 . 18986 1 477 . 1 1 39 39 VAL HG13 H 1 1.075 0.020 . 2 . . . A 638 VAL HG11 . 18986 1 478 . 1 1 39 39 VAL HG21 H 1 0.974 0.020 . 2 . . . A 638 VAL HG21 . 18986 1 479 . 1 1 39 39 VAL HG22 H 1 0.974 0.020 . 2 . . . A 638 VAL HG21 . 18986 1 480 . 1 1 39 39 VAL HG23 H 1 0.974 0.020 . 2 . . . A 638 VAL HG21 . 18986 1 481 . 1 1 39 39 VAL C C 13 177.432 0.300 . 1 . . . A 638 VAL C . 18986 1 482 . 1 1 39 39 VAL CA C 13 64.721 0.300 . 1 . . . A 638 VAL CA . 18986 1 483 . 1 1 39 39 VAL CB C 13 32.071 0.300 . 1 . . . A 638 VAL CB . 18986 1 484 . 1 1 39 39 VAL CG1 C 13 21.793 0.300 . 2 . . . A 638 VAL CG1 . 18986 1 485 . 1 1 39 39 VAL CG2 C 13 21.100 0.300 . 2 . . . A 638 VAL CG2 . 18986 1 486 . 1 1 39 39 VAL N N 15 117.140 0.250 . 1 . . . A 638 VAL N . 18986 1 487 . 1 1 40 40 SER H H 1 7.918 0.020 . 1 . . . A 639 SER H . 18986 1 488 . 1 1 40 40 SER HA H 1 4.481 0.020 . 1 . . . A 639 SER HA . 18986 1 489 . 1 1 40 40 SER HB2 H 1 3.941 0.020 . 1 . . . A 639 SER HB2 . 18986 1 490 . 1 1 40 40 SER HB3 H 1 3.941 0.020 . 1 . . . A 639 SER HB3 . 18986 1 491 . 1 1 40 40 SER C C 13 174.842 0.300 . 1 . . . A 639 SER C . 18986 1 492 . 1 1 40 40 SER CA C 13 58.722 0.300 . 1 . . . A 639 SER CA . 18986 1 493 . 1 1 40 40 SER CB C 13 63.641 0.300 . 1 . . . A 639 SER CB . 18986 1 494 . 1 1 40 40 SER N N 15 114.143 0.250 . 1 . . . A 639 SER N . 18986 1 495 . 1 1 41 41 SER H H 1 7.765 0.020 . 1 . . . A 640 SER H . 18986 1 496 . 1 1 41 41 SER HA H 1 4.711 0.020 . 1 . . . A 640 SER HA . 18986 1 497 . 1 1 41 41 SER HB2 H 1 3.959 0.020 . 1 . . . A 640 SER HB2 . 18986 1 498 . 1 1 41 41 SER HB3 H 1 3.959 0.020 . 1 . . . A 640 SER HB3 . 18986 1 499 . 1 1 41 41 SER C C 13 173.905 0.300 . 1 . . . A 640 SER C . 18986 1 500 . 1 1 41 41 SER CA C 13 57.729 0.300 . 1 . . . A 640 SER CA . 18986 1 501 . 1 1 41 41 SER CB C 13 64.694 0.300 . 1 . . . A 640 SER CB . 18986 1 502 . 1 1 41 41 SER N N 15 115.370 0.250 . 1 . . . A 640 SER N . 18986 1 503 . 1 1 42 42 GLU H H 1 8.363 0.020 . 1 . . . A 641 GLU H . 18986 1 504 . 1 1 42 42 GLU HA H 1 4.044 0.020 . 1 . . . A 641 GLU HA . 18986 1 505 . 1 1 42 42 GLU HB2 H 1 2.168 0.020 . 2 . . . A 641 GLU HB2 . 18986 1 506 . 1 1 42 42 GLU HB3 H 1 2.081 0.020 . 2 . . . A 641 GLU HB3 . 18986 1 507 . 1 1 42 42 GLU HG2 H 1 2.285 0.020 . 2 . . . A 641 GLU HG2 . 18986 1 508 . 1 1 42 42 GLU HG3 H 1 2.165 0.020 . 2 . . . A 641 GLU HG3 . 18986 1 509 . 1 1 42 42 GLU C C 13 175.887 0.300 . 1 . . . A 641 GLU C . 18986 1 510 . 1 1 42 42 GLU CA C 13 59.371 0.300 . 1 . . . A 641 GLU CA . 18986 1 511 . 1 1 42 42 GLU CB C 13 30.204 0.300 . 1 . . . A 641 GLU CB . 18986 1 512 . 1 1 42 42 GLU CG C 13 36.556 0.300 . 1 . . . A 641 GLU CG . 18986 1 513 . 1 1 42 42 GLU N N 15 119.994 0.250 . 1 . . . A 641 GLU N . 18986 1 514 . 1 1 43 43 CYS H H 1 7.881 0.020 . 1 . . . A 642 CYS H . 18986 1 515 . 1 1 43 43 CYS HA H 1 4.459 0.020 . 1 . . . A 642 CYS HA . 18986 1 516 . 1 1 43 43 CYS HB2 H 1 2.816 0.020 . 2 . . . A 642 CYS HB2 . 18986 1 517 . 1 1 43 43 CYS HB3 H 1 2.955 0.020 . 2 . . . A 642 CYS HB3 . 18986 1 518 . 1 1 43 43 CYS C C 13 170.778 0.300 . 1 . . . A 642 CYS C . 18986 1 519 . 1 1 43 43 CYS CA C 13 53.666 0.300 . 1 . . . A 642 CYS CA . 18986 1 520 . 1 1 43 43 CYS CB C 13 44.081 0.300 . 1 . . . A 642 CYS CB . 18986 1 521 . 1 1 43 43 CYS N N 15 110.257 0.250 . 1 . . . A 642 CYS N . 18986 1 522 . 1 1 44 44 ALA H H 1 9.787 0.020 . 1 . . . A 643 ALA H . 18986 1 523 . 1 1 44 44 ALA HA H 1 4.638 0.020 . 1 . . . A 643 ALA HA . 18986 1 524 . 1 1 44 44 ALA HB1 H 1 1.475 0.020 . 1 . . . A 643 ALA HB1 . 18986 1 525 . 1 1 44 44 ALA HB2 H 1 1.475 0.020 . 1 . . . A 643 ALA HB1 . 18986 1 526 . 1 1 44 44 ALA HB3 H 1 1.475 0.020 . 1 . . . A 643 ALA HB1 . 18986 1 527 . 1 1 44 44 ALA C C 13 175.237 0.300 . 1 . . . A 643 ALA C . 18986 1 528 . 1 1 44 44 ALA CA C 13 50.340 0.300 . 1 . . . A 643 ALA CA . 18986 1 529 . 1 1 44 44 ALA CB C 13 22.164 0.300 . 1 . . . A 643 ALA CB . 18986 1 530 . 1 1 44 44 ALA N N 15 123.922 0.250 . 1 . . . A 643 ALA N . 18986 1 531 . 1 1 45 45 LYS H H 1 9.809 0.020 . 1 . . . A 644 LYS H . 18986 1 532 . 1 1 45 45 LYS HA H 1 4.511 0.020 . 1 . . . A 644 LYS HA . 18986 1 533 . 1 1 45 45 LYS HB2 H 1 2.037 0.020 . 2 . . . A 644 LYS HB2 . 18986 1 534 . 1 1 45 45 LYS HB3 H 1 1.870 0.020 . 2 . . . A 644 LYS HB3 . 18986 1 535 . 1 1 45 45 LYS HG2 H 1 1.565 0.020 . 2 . . . A 644 LYS HG2 . 18986 1 536 . 1 1 45 45 LYS HG3 H 1 1.405 0.020 . 2 . . . A 644 LYS HG3 . 18986 1 537 . 1 1 45 45 LYS HD2 H 1 1.797 0.020 . 2 . . . A 644 LYS HD2 . 18986 1 538 . 1 1 45 45 LYS HD3 H 1 1.474 0.020 . 2 . . . A 644 LYS HD3 . 18986 1 539 . 1 1 45 45 LYS HE2 H 1 3.065 0.020 . 2 . . . A 644 LYS HE2 . 18986 1 540 . 1 1 45 45 LYS HE3 H 1 2.995 0.020 . 2 . . . A 644 LYS HE3 . 18986 1 541 . 1 1 45 45 LYS C C 13 179.665 0.300 . 1 . . . A 644 LYS C . 18986 1 542 . 1 1 45 45 LYS CA C 13 57.058 0.300 . 1 . . . A 644 LYS CA . 18986 1 543 . 1 1 45 45 LYS CB C 13 32.662 0.300 . 1 . . . A 644 LYS CB . 18986 1 544 . 1 1 45 45 LYS CG C 13 24.639 0.300 . 1 . . . A 644 LYS CG . 18986 1 545 . 1 1 45 45 LYS CD C 13 26.248 0.300 . 1 . . . A 644 LYS CD . 18986 1 546 . 1 1 45 45 LYS CE C 13 41.810 0.300 . 1 . . . A 644 LYS CE . 18986 1 547 . 1 1 45 45 LYS N N 15 128.479 0.250 . 1 . . . A 644 LYS N . 18986 1 548 . 1 1 46 46 VAL H H 1 8.458 0.020 . 1 . . . A 645 VAL H . 18986 1 549 . 1 1 46 46 VAL HA H 1 3.648 0.020 . 1 . . . A 645 VAL HA . 18986 1 550 . 1 1 46 46 VAL HB H 1 2.211 0.020 . 1 . . . A 645 VAL HB . 18986 1 551 . 1 1 46 46 VAL HG11 H 1 1.117 0.020 . 2 . . . A 645 VAL HG11 . 18986 1 552 . 1 1 46 46 VAL HG12 H 1 1.117 0.020 . 2 . . . A 645 VAL HG11 . 18986 1 553 . 1 1 46 46 VAL HG13 H 1 1.117 0.020 . 2 . . . A 645 VAL HG11 . 18986 1 554 . 1 1 46 46 VAL HG21 H 1 0.997 0.020 . 2 . . . A 645 VAL HG21 . 18986 1 555 . 1 1 46 46 VAL HG22 H 1 0.997 0.020 . 2 . . . A 645 VAL HG21 . 18986 1 556 . 1 1 46 46 VAL HG23 H 1 0.997 0.020 . 2 . . . A 645 VAL HG21 . 18986 1 557 . 1 1 46 46 VAL C C 13 176.716 0.300 . 1 . . . A 645 VAL C . 18986 1 558 . 1 1 46 46 VAL CA C 13 67.582 0.300 . 1 . . . A 645 VAL CA . 18986 1 559 . 1 1 46 46 VAL CB C 13 31.921 0.300 . 1 . . . A 645 VAL CB . 18986 1 560 . 1 1 46 46 VAL CG1 C 13 23.723 0.300 . 2 . . . A 645 VAL CG1 . 18986 1 561 . 1 1 46 46 VAL CG2 C 13 20.811 0.300 . 2 . . . A 645 VAL CG2 . 18986 1 562 . 1 1 46 46 VAL N N 15 124.257 0.250 . 1 . . . A 645 VAL N . 18986 1 563 . 1 1 47 47 LYS H H 1 8.706 0.020 . 1 . . . A 646 LYS H . 18986 1 564 . 1 1 47 47 LYS HA H 1 4.007 0.020 . 1 . . . A 646 LYS HA . 18986 1 565 . 1 1 47 47 LYS HB2 H 1 1.837 0.020 . 2 . . . A 646 LYS HB2 . 18986 1 566 . 1 1 47 47 LYS HB3 H 1 1.735 0.020 . 2 . . . A 646 LYS HB3 . 18986 1 567 . 1 1 47 47 LYS HG2 H 1 1.499 0.020 . 2 . . . A 646 LYS HG2 . 18986 1 568 . 1 1 47 47 LYS HG3 H 1 1.395 0.020 . 2 . . . A 646 LYS HG3 . 18986 1 569 . 1 1 47 47 LYS HD2 H 1 1.743 0.020 . 2 . . . A 646 LYS HD2 . 18986 1 570 . 1 1 47 47 LYS HD3 H 1 1.676 0.020 . 2 . . . A 646 LYS HD3 . 18986 1 571 . 1 1 47 47 LYS HE2 H 1 2.987 0.020 . 2 . . . A 646 LYS HE2 . 18986 1 572 . 1 1 47 47 LYS HE3 H 1 2.907 0.020 . 2 . . . A 646 LYS HE3 . 18986 1 573 . 1 1 47 47 LYS C C 13 178.767 0.300 . 1 . . . A 646 LYS C . 18986 1 574 . 1 1 47 47 LYS CA C 13 59.965 0.300 . 1 . . . A 646 LYS CA . 18986 1 575 . 1 1 47 47 LYS CB C 13 32.118 0.300 . 1 . . . A 646 LYS CB . 18986 1 576 . 1 1 47 47 LYS CG C 13 24.880 0.300 . 1 . . . A 646 LYS CG . 18986 1 577 . 1 1 47 47 LYS CD C 13 29.286 0.300 . 1 . . . A 646 LYS CD . 18986 1 578 . 1 1 47 47 LYS CE C 13 41.872 0.300 . 1 . . . A 646 LYS CE . 18986 1 579 . 1 1 47 47 LYS N N 15 117.598 0.250 . 1 . . . A 646 LYS N . 18986 1 580 . 1 1 48 48 ASP H H 1 7.012 0.020 . 1 . . . A 647 ASP H . 18986 1 581 . 1 1 48 48 ASP HA H 1 4.618 0.020 . 1 . . . A 647 ASP HA . 18986 1 582 . 1 1 48 48 ASP HB2 H 1 2.861 0.020 . 2 . . . A 647 ASP HB2 . 18986 1 583 . 1 1 48 48 ASP HB3 H 1 2.774 0.020 . 2 . . . A 647 ASP HB3 . 18986 1 584 . 1 1 48 48 ASP C C 13 177.931 0.300 . 1 . . . A 647 ASP C . 18986 1 585 . 1 1 48 48 ASP CA C 13 57.043 0.300 . 1 . . . A 647 ASP CA . 18986 1 586 . 1 1 48 48 ASP CB C 13 41.458 0.300 . 1 . . . A 647 ASP CB . 18986 1 587 . 1 1 48 48 ASP N N 15 119.229 0.250 . 1 . . . A 647 ASP N . 18986 1 588 . 1 1 49 49 ILE H H 1 8.152 0.020 . 1 . . . A 648 ILE H . 18986 1 589 . 1 1 49 49 ILE HA H 1 3.381 0.020 . 1 . . . A 648 ILE HA . 18986 1 590 . 1 1 49 49 ILE HB H 1 1.894 0.020 . 1 . . . A 648 ILE HB . 18986 1 591 . 1 1 49 49 ILE HG12 H 1 1.731 0.020 . 2 . . . A 648 ILE HG12 . 18986 1 592 . 1 1 49 49 ILE HG13 H 1 0.531 0.020 . 2 . . . A 648 ILE HG13 . 18986 1 593 . 1 1 49 49 ILE HG21 H 1 0.900 0.020 . 1 . . . A 648 ILE HG21 . 18986 1 594 . 1 1 49 49 ILE HG22 H 1 0.900 0.020 . 1 . . . A 648 ILE HG21 . 18986 1 595 . 1 1 49 49 ILE HG23 H 1 0.900 0.020 . 1 . . . A 648 ILE HG21 . 18986 1 596 . 1 1 49 49 ILE HD11 H 1 0.775 0.020 . 1 . . . A 648 ILE HD11 . 18986 1 597 . 1 1 49 49 ILE HD12 H 1 0.775 0.020 . 1 . . . A 648 ILE HD11 . 18986 1 598 . 1 1 49 49 ILE HD13 H 1 0.775 0.020 . 1 . . . A 648 ILE HD11 . 18986 1 599 . 1 1 49 49 ILE C C 13 177.963 0.300 . 1 . . . A 648 ILE C . 18986 1 600 . 1 1 49 49 ILE CA C 13 65.761 0.300 . 1 . . . A 648 ILE CA . 18986 1 601 . 1 1 49 49 ILE CB C 13 38.682 0.300 . 1 . . . A 648 ILE CB . 18986 1 602 . 1 1 49 49 ILE CG1 C 13 28.700 0.300 . 1 . . . A 648 ILE CG1 . 18986 1 603 . 1 1 49 49 ILE CG2 C 13 17.930 0.300 . 1 . . . A 648 ILE CG2 . 18986 1 604 . 1 1 49 49 ILE CD1 C 13 15.091 0.300 . 1 . . . A 648 ILE CD1 . 18986 1 605 . 1 1 49 49 ILE N N 15 121.939 0.250 . 1 . . . A 648 ILE N . 18986 1 606 . 1 1 50 50 LEU H H 1 8.638 0.020 . 1 . . . A 649 LEU H . 18986 1 607 . 1 1 50 50 LEU HA H 1 3.873 0.020 . 1 . . . A 649 LEU HA . 18986 1 608 . 1 1 50 50 LEU HB2 H 1 1.853 0.020 . 2 . . . A 649 LEU HB2 . 18986 1 609 . 1 1 50 50 LEU HB3 H 1 1.445 0.020 . 2 . . . A 649 LEU HB3 . 18986 1 610 . 1 1 50 50 LEU HG H 1 1.776 0.020 . 1 . . . A 649 LEU HG . 18986 1 611 . 1 1 50 50 LEU HD11 H 1 0.861 0.020 . 2 . . . A 649 LEU HD11 . 18986 1 612 . 1 1 50 50 LEU HD12 H 1 0.861 0.020 . 2 . . . A 649 LEU HD11 . 18986 1 613 . 1 1 50 50 LEU HD13 H 1 0.861 0.020 . 2 . . . A 649 LEU HD11 . 18986 1 614 . 1 1 50 50 LEU HD21 H 1 0.827 0.020 . 2 . . . A 649 LEU HD21 . 18986 1 615 . 1 1 50 50 LEU HD22 H 1 0.827 0.020 . 2 . . . A 649 LEU HD21 . 18986 1 616 . 1 1 50 50 LEU HD23 H 1 0.827 0.020 . 2 . . . A 649 LEU HD21 . 18986 1 617 . 1 1 50 50 LEU C C 13 179.159 0.300 . 1 . . . A 649 LEU C . 18986 1 618 . 1 1 50 50 LEU CA C 13 58.605 0.300 . 1 . . . A 649 LEU CA . 18986 1 619 . 1 1 50 50 LEU CB C 13 42.026 0.300 . 1 . . . A 649 LEU CB . 18986 1 620 . 1 1 50 50 LEU CG C 13 27.587 0.300 . 1 . . . A 649 LEU CG . 18986 1 621 . 1 1 50 50 LEU CD1 C 13 25.677 0.300 . 2 . . . A 649 LEU CD1 . 18986 1 622 . 1 1 50 50 LEU CD2 C 13 24.163 0.300 . 2 . . . A 649 LEU CD2 . 18986 1 623 . 1 1 50 50 LEU N N 15 117.310 0.250 . 1 . . . A 649 LEU N . 18986 1 624 . 1 1 51 51 LYS H H 1 7.296 0.020 . 1 . . . A 650 LYS H . 18986 1 625 . 1 1 51 51 LYS HA H 1 4.046 0.020 . 1 . . . A 650 LYS HA . 18986 1 626 . 1 1 51 51 LYS HB2 H 1 2.037 0.020 . 2 . . . A 650 LYS HB2 . 18986 1 627 . 1 1 51 51 LYS HB3 H 1 1.887 0.020 . 2 . . . A 650 LYS HB3 . 18986 1 628 . 1 1 51 51 LYS HG2 H 1 1.565 0.020 . 2 . . . A 650 LYS HG2 . 18986 1 629 . 1 1 51 51 LYS HG3 H 1 1.416 0.020 . 2 . . . A 650 LYS HG3 . 18986 1 630 . 1 1 51 51 LYS HD2 H 1 1.674 0.020 . 1 . . . A 650 LYS HD2 . 18986 1 631 . 1 1 51 51 LYS HD3 H 1 1.674 0.020 . 1 . . . A 650 LYS HD3 . 18986 1 632 . 1 1 51 51 LYS HE2 H 1 2.974 0.020 . 1 . . . A 650 LYS HE2 . 18986 1 633 . 1 1 51 51 LYS HE3 H 1 2.974 0.020 . 1 . . . A 650 LYS HE3 . 18986 1 634 . 1 1 51 51 LYS C C 13 179.521 0.300 . 1 . . . A 650 LYS C . 18986 1 635 . 1 1 51 51 LYS CA C 13 59.771 0.300 . 1 . . . A 650 LYS CA . 18986 1 636 . 1 1 51 51 LYS CB C 13 32.784 0.300 . 1 . . . A 650 LYS CB . 18986 1 637 . 1 1 51 51 LYS CG C 13 24.590 0.300 . 1 . . . A 650 LYS CG . 18986 1 638 . 1 1 51 51 LYS CD C 13 29.125 0.300 . 1 . . . A 650 LYS CD . 18986 1 639 . 1 1 51 51 LYS CE C 13 42.087 0.300 . 1 . . . A 650 LYS CE . 18986 1 640 . 1 1 51 51 LYS N N 15 118.810 0.250 . 1 . . . A 650 LYS N . 18986 1 641 . 1 1 52 52 GLU H H 1 8.036 0.020 . 1 . . . A 651 GLU H . 18986 1 642 . 1 1 52 52 GLU HA H 1 4.108 0.020 . 1 . . . A 651 GLU HA . 18986 1 643 . 1 1 52 52 GLU HB2 H 1 2.077 0.020 . 2 . . . A 651 GLU HB2 . 18986 1 644 . 1 1 52 52 GLU HB3 H 1 1.946 0.020 . 2 . . . A 651 GLU HB3 . 18986 1 645 . 1 1 52 52 GLU HG2 H 1 2.447 0.020 . 2 . . . A 651 GLU HG2 . 18986 1 646 . 1 1 52 52 GLU HG3 H 1 2.320 0.020 . 2 . . . A 651 GLU HG3 . 18986 1 647 . 1 1 52 52 GLU C C 13 179.623 0.300 . 1 . . . A 651 GLU C . 18986 1 648 . 1 1 52 52 GLU CA C 13 58.530 0.300 . 1 . . . A 651 GLU CA . 18986 1 649 . 1 1 52 52 GLU CB C 13 30.168 0.300 . 1 . . . A 651 GLU CB . 18986 1 650 . 1 1 52 52 GLU CG C 13 35.765 0.300 . 1 . . . A 651 GLU CG . 18986 1 651 . 1 1 52 52 GLU N N 15 117.713 0.250 . 1 . . . A 651 GLU N . 18986 1 652 . 1 1 53 53 ALA H H 1 8.973 0.020 . 1 . . . A 652 ALA H . 18986 1 653 . 1 1 53 53 ALA HA H 1 3.998 0.020 . 1 . . . A 652 ALA HA . 18986 1 654 . 1 1 53 53 ALA HB1 H 1 1.325 0.020 . 1 . . . A 652 ALA HB1 . 18986 1 655 . 1 1 53 53 ALA HB2 H 1 1.325 0.020 . 1 . . . A 652 ALA HB1 . 18986 1 656 . 1 1 53 53 ALA HB3 H 1 1.325 0.020 . 1 . . . A 652 ALA HB1 . 18986 1 657 . 1 1 53 53 ALA C C 13 179.486 0.300 . 1 . . . A 652 ALA C . 18986 1 658 . 1 1 53 53 ALA CA C 13 54.454 0.300 . 1 . . . A 652 ALA CA . 18986 1 659 . 1 1 53 53 ALA CB C 13 18.036 0.300 . 1 . . . A 652 ALA CB . 18986 1 660 . 1 1 53 53 ALA N N 15 121.206 0.250 . 1 . . . A 652 ALA N . 18986 1 661 . 1 1 54 54 GLN H H 1 8.059 0.020 . 1 . . . A 653 GLN H . 18986 1 662 . 1 1 54 54 GLN HA H 1 4.477 0.020 . 1 . . . A 653 GLN HA . 18986 1 663 . 1 1 54 54 GLN HB2 H 1 2.183 0.020 . 1 . . . A 653 GLN HB2 . 18986 1 664 . 1 1 54 54 GLN HB3 H 1 2.183 0.020 . 1 . . . A 653 GLN HB3 . 18986 1 665 . 1 1 54 54 GLN HG2 H 1 2.593 0.020 . 2 . . . A 653 GLN HG2 . 18986 1 666 . 1 1 54 54 GLN HG3 H 1 2.369 0.020 . 2 . . . A 653 GLN HG3 . 18986 1 667 . 1 1 54 54 GLN C C 13 180.108 0.300 . 1 . . . A 653 GLN C . 18986 1 668 . 1 1 54 54 GLN CA C 13 58.780 0.300 . 1 . . . A 653 GLN CA . 18986 1 669 . 1 1 54 54 GLN CB C 13 29.489 0.300 . 1 . . . A 653 GLN CB . 18986 1 670 . 1 1 54 54 GLN CG C 13 35.485 0.300 . 1 . . . A 653 GLN CG . 18986 1 671 . 1 1 54 54 GLN N N 15 117.768 0.250 . 1 . . . A 653 GLN N . 18986 1 672 . 1 1 55 55 GLN H H 1 7.495 0.020 . 1 . . . A 654 GLN H . 18986 1 673 . 1 1 55 55 GLN HA H 1 4.177 0.020 . 1 . . . A 654 GLN HA . 18986 1 674 . 1 1 55 55 GLN HB2 H 1 2.271 0.020 . 1 . . . A 654 GLN HB2 . 18986 1 675 . 1 1 55 55 GLN HB3 H 1 2.271 0.020 . 1 . . . A 654 GLN HB3 . 18986 1 676 . 1 1 55 55 GLN HG2 H 1 2.549 0.020 . 2 . . . A 654 GLN HG2 . 18986 1 677 . 1 1 55 55 GLN HG3 H 1 2.491 0.020 . 2 . . . A 654 GLN HG3 . 18986 1 678 . 1 1 55 55 GLN C C 13 177.554 0.300 . 1 . . . A 654 GLN C . 18986 1 679 . 1 1 55 55 GLN CA C 13 58.138 0.300 . 1 . . . A 654 GLN CA . 18986 1 680 . 1 1 55 55 GLN CB C 13 28.697 0.300 . 1 . . . A 654 GLN CB . 18986 1 681 . 1 1 55 55 GLN CG C 13 34.226 0.300 . 1 . . . A 654 GLN CG . 18986 1 682 . 1 1 55 55 GLN N N 15 117.979 0.250 . 1 . . . A 654 GLN N . 18986 1 683 . 1 1 56 56 VAL H H 1 7.197 0.020 . 1 . . . A 655 VAL H . 18986 1 684 . 1 1 56 56 VAL HA H 1 4.527 0.020 . 1 . . . A 655 VAL HA . 18986 1 685 . 1 1 56 56 VAL HB H 1 2.508 0.020 . 1 . . . A 655 VAL HB . 18986 1 686 . 1 1 56 56 VAL HG11 H 1 0.998 0.020 . 2 . . . A 655 VAL HG11 . 18986 1 687 . 1 1 56 56 VAL HG12 H 1 0.998 0.020 . 2 . . . A 655 VAL HG11 . 18986 1 688 . 1 1 56 56 VAL HG13 H 1 0.998 0.020 . 2 . . . A 655 VAL HG11 . 18986 1 689 . 1 1 56 56 VAL HG21 H 1 0.945 0.020 . 2 . . . A 655 VAL HG21 . 18986 1 690 . 1 1 56 56 VAL HG22 H 1 0.945 0.020 . 2 . . . A 655 VAL HG21 . 18986 1 691 . 1 1 56 56 VAL HG23 H 1 0.945 0.020 . 2 . . . A 655 VAL HG21 . 18986 1 692 . 1 1 56 56 VAL C C 13 176.089 0.300 . 1 . . . A 655 VAL C . 18986 1 693 . 1 1 56 56 VAL CA C 13 60.787 0.300 . 1 . . . A 655 VAL CA . 18986 1 694 . 1 1 56 56 VAL CB C 13 30.904 0.300 . 1 . . . A 655 VAL CB . 18986 1 695 . 1 1 56 56 VAL CG1 C 13 19.836 0.300 . 2 . . . A 655 VAL CG1 . 18986 1 696 . 1 1 56 56 VAL CG2 C 13 21.467 0.300 . 2 . . . A 655 VAL CG2 . 18986 1 697 . 1 1 56 56 VAL N N 15 110.080 0.250 . 1 . . . A 655 VAL N . 18986 1 698 . 1 1 57 57 GLY H H 1 7.541 0.020 . 1 . . . A 656 GLY H . 18986 1 699 . 1 1 57 57 GLY HA2 H 1 3.710 0.020 . 2 . . . A 656 GLY HA2 . 18986 1 700 . 1 1 57 57 GLY HA3 H 1 4.161 0.020 . 2 . . . A 656 GLY HA3 . 18986 1 701 . 1 1 57 57 GLY C C 13 174.359 0.300 . 1 . . . A 656 GLY C . 18986 1 702 . 1 1 57 57 GLY CA C 13 46.031 0.300 . 1 . . . A 656 GLY CA . 18986 1 703 . 1 1 57 57 GLY N N 15 107.089 0.250 . 1 . . . A 656 GLY N . 18986 1 704 . 1 1 58 58 ILE H H 1 7.633 0.020 . 1 . . . A 657 ILE H . 18986 1 705 . 1 1 58 58 ILE HA H 1 4.134 0.020 . 1 . . . A 657 ILE HA . 18986 1 706 . 1 1 58 58 ILE HB H 1 1.392 0.020 . 1 . . . A 657 ILE HB . 18986 1 707 . 1 1 58 58 ILE HG12 H 1 1.571 0.020 . 2 . . . A 657 ILE HG12 . 18986 1 708 . 1 1 58 58 ILE HG13 H 1 0.760 0.020 . 2 . . . A 657 ILE HG13 . 18986 1 709 . 1 1 58 58 ILE HG21 H 1 0.857 0.020 . 1 . . . A 657 ILE HG21 . 18986 1 710 . 1 1 58 58 ILE HG22 H 1 0.857 0.020 . 1 . . . A 657 ILE HG21 . 18986 1 711 . 1 1 58 58 ILE HG23 H 1 0.857 0.020 . 1 . . . A 657 ILE HG21 . 18986 1 712 . 1 1 58 58 ILE HD11 H 1 0.724 0.020 . 1 . . . A 657 ILE HD11 . 18986 1 713 . 1 1 58 58 ILE HD12 H 1 0.724 0.020 . 1 . . . A 657 ILE HD11 . 18986 1 714 . 1 1 58 58 ILE HD13 H 1 0.724 0.020 . 1 . . . A 657 ILE HD11 . 18986 1 715 . 1 1 58 58 ILE C C 13 174.605 0.300 . 1 . . . A 657 ILE C . 18986 1 716 . 1 1 58 58 ILE CA C 13 60.950 0.300 . 1 . . . A 657 ILE CA . 18986 1 717 . 1 1 58 58 ILE CB C 13 37.911 0.300 . 1 . . . A 657 ILE CB . 18986 1 718 . 1 1 58 58 ILE CG1 C 13 27.664 0.300 . 1 . . . A 657 ILE CG1 . 18986 1 719 . 1 1 58 58 ILE CG2 C 13 18.632 0.300 . 1 . . . A 657 ILE CG2 . 18986 1 720 . 1 1 58 58 ILE CD1 C 13 13.412 0.300 . 1 . . . A 657 ILE CD1 . 18986 1 721 . 1 1 58 58 ILE N N 15 121.266 0.250 . 1 . . . A 657 ILE N . 18986 1 722 . 1 1 59 59 GLU H H 1 8.690 0.020 . 1 . . . A 658 GLU H . 18986 1 723 . 1 1 59 59 GLU HA H 1 4.203 0.020 . 1 . . . A 658 GLU HA . 18986 1 724 . 1 1 59 59 GLU HB2 H 1 2.197 0.020 . 2 . . . A 658 GLU HB2 . 18986 1 725 . 1 1 59 59 GLU HB3 H 1 2.006 0.020 . 2 . . . A 658 GLU HB3 . 18986 1 726 . 1 1 59 59 GLU HG2 H 1 2.410 0.020 . 2 . . . A 658 GLU HG2 . 18986 1 727 . 1 1 59 59 GLU HG3 H 1 2.373 0.020 . 2 . . . A 658 GLU HG3 . 18986 1 728 . 1 1 59 59 GLU C C 13 178.036 0.300 . 1 . . . A 658 GLU C . 18986 1 729 . 1 1 59 59 GLU CA C 13 57.080 0.300 . 1 . . . A 658 GLU CA . 18986 1 730 . 1 1 59 59 GLU CB C 13 30.330 0.300 . 1 . . . A 658 GLU CB . 18986 1 731 . 1 1 59 59 GLU CG C 13 36.516 0.300 . 1 . . . A 658 GLU CG . 18986 1 732 . 1 1 59 59 GLU N N 15 127.252 0.250 . 1 . . . A 658 GLU N . 18986 1 733 . 1 1 60 60 LYS H H 1 8.706 0.020 . 1 . . . A 659 LYS H . 18986 1 734 . 1 1 60 60 LYS HA H 1 3.788 0.020 . 1 . . . A 659 LYS HA . 18986 1 735 . 1 1 60 60 LYS HB2 H 1 1.882 0.020 . 2 . . . A 659 LYS HB2 . 18986 1 736 . 1 1 60 60 LYS HB3 H 1 1.813 0.020 . 2 . . . A 659 LYS HB3 . 18986 1 737 . 1 1 60 60 LYS HG2 H 1 1.443 0.020 . 2 . . . A 659 LYS HG2 . 18986 1 738 . 1 1 60 60 LYS HG3 H 1 1.340 0.020 . 2 . . . A 659 LYS HG3 . 18986 1 739 . 1 1 60 60 LYS HD2 H 1 1.651 0.020 . 1 . . . A 659 LYS HD2 . 18986 1 740 . 1 1 60 60 LYS HD3 H 1 1.651 0.020 . 1 . . . A 659 LYS HD3 . 18986 1 741 . 1 1 60 60 LYS HE2 H 1 2.909 0.020 . 1 . . . A 659 LYS HE2 . 18986 1 742 . 1 1 60 60 LYS HE3 H 1 2.909 0.020 . 1 . . . A 659 LYS HE3 . 18986 1 743 . 1 1 60 60 LYS C C 13 177.890 0.300 . 1 . . . A 659 LYS C . 18986 1 744 . 1 1 60 60 LYS CA C 13 60.891 0.300 . 1 . . . A 659 LYS CA . 18986 1 745 . 1 1 60 60 LYS CB C 13 32.837 0.300 . 1 . . . A 659 LYS CB . 18986 1 746 . 1 1 60 60 LYS CG C 13 24.725 0.300 . 1 . . . A 659 LYS CG . 18986 1 747 . 1 1 60 60 LYS CD C 13 29.171 0.300 . 1 . . . A 659 LYS CD . 18986 1 748 . 1 1 60 60 LYS CE C 13 42.098 0.300 . 1 . . . A 659 LYS CE . 18986 1 749 . 1 1 60 60 LYS N N 15 124.533 0.250 . 1 . . . A 659 LYS N . 18986 1 750 . 1 1 61 61 SER H H 1 8.777 0.020 . 1 . . . A 660 SER H . 18986 1 751 . 1 1 61 61 SER HA H 1 4.273 0.020 . 1 . . . A 660 SER HA . 18986 1 752 . 1 1 61 61 SER HB2 H 1 3.912 0.020 . 1 . . . A 660 SER HB2 . 18986 1 753 . 1 1 61 61 SER HB3 H 1 3.912 0.020 . 1 . . . A 660 SER HB3 . 18986 1 754 . 1 1 61 61 SER C C 13 176.659 0.300 . 1 . . . A 660 SER C . 18986 1 755 . 1 1 61 61 SER CA C 13 61.070 0.300 . 1 . . . A 660 SER CA . 18986 1 756 . 1 1 61 61 SER CB C 13 62.224 0.300 . 1 . . . A 660 SER CB . 18986 1 757 . 1 1 61 61 SER N N 15 113.137 0.250 . 1 . . . A 660 SER N . 18986 1 758 . 1 1 62 62 ASN H H 1 7.486 0.020 . 1 . . . A 661 ASN H . 18986 1 759 . 1 1 62 62 ASN HA H 1 4.706 0.020 . 1 . . . A 661 ASN HA . 18986 1 760 . 1 1 62 62 ASN HB2 H 1 2.887 0.020 . 2 . . . A 661 ASN HB2 . 18986 1 761 . 1 1 62 62 ASN HB3 H 1 2.815 0.020 . 2 . . . A 661 ASN HB3 . 18986 1 762 . 1 1 62 62 ASN C C 13 177.236 0.300 . 1 . . . A 661 ASN C . 18986 1 763 . 1 1 62 62 ASN CA C 13 54.768 0.300 . 1 . . . A 661 ASN CA . 18986 1 764 . 1 1 62 62 ASN CB C 13 39.463 0.300 . 1 . . . A 661 ASN CB . 18986 1 765 . 1 1 62 62 ASN N N 15 119.986 0.250 . 1 . . . A 661 ASN N . 18986 1 766 . 1 1 63 63 ILE H H 1 7.999 0.020 . 1 . . . A 662 ILE H . 18986 1 767 . 1 1 63 63 ILE HA H 1 3.446 0.020 . 1 . . . A 662 ILE HA . 18986 1 768 . 1 1 63 63 ILE HB H 1 1.949 0.020 . 1 . . . A 662 ILE HB . 18986 1 769 . 1 1 63 63 ILE HG12 H 1 0.723 0.020 . 2 . . . A 662 ILE HG12 . 18986 1 770 . 1 1 63 63 ILE HG13 H 1 1.596 0.020 . 2 . . . A 662 ILE HG13 . 18986 1 771 . 1 1 63 63 ILE HG21 H 1 0.705 0.020 . 1 . . . A 662 ILE HG21 . 18986 1 772 . 1 1 63 63 ILE HG22 H 1 0.705 0.020 . 1 . . . A 662 ILE HG21 . 18986 1 773 . 1 1 63 63 ILE HG23 H 1 0.705 0.020 . 1 . . . A 662 ILE HG21 . 18986 1 774 . 1 1 63 63 ILE HD11 H 1 0.771 0.020 . 1 . . . A 662 ILE HD11 . 18986 1 775 . 1 1 63 63 ILE HD12 H 1 0.771 0.020 . 1 . . . A 662 ILE HD11 . 18986 1 776 . 1 1 63 63 ILE HD13 H 1 0.771 0.020 . 1 . . . A 662 ILE HD11 . 18986 1 777 . 1 1 63 63 ILE C C 13 176.972 0.300 . 1 . . . A 662 ILE C . 18986 1 778 . 1 1 63 63 ILE CA C 13 65.326 0.300 . 1 . . . A 662 ILE CA . 18986 1 779 . 1 1 63 63 ILE CB C 13 37.143 0.300 . 1 . . . A 662 ILE CB . 18986 1 780 . 1 1 63 63 ILE CG1 C 13 27.661 0.300 . 1 . . . A 662 ILE CG1 . 18986 1 781 . 1 1 63 63 ILE CG2 C 13 18.004 0.300 . 1 . . . A 662 ILE CG2 . 18986 1 782 . 1 1 63 63 ILE CD1 C 13 15.664 0.300 . 1 . . . A 662 ILE CD1 . 18986 1 783 . 1 1 63 63 ILE N N 15 120.639 0.250 . 1 . . . A 662 ILE N . 18986 1 784 . 1 1 64 64 GLU H H 1 8.190 0.020 . 1 . . . A 663 GLU H . 18986 1 785 . 1 1 64 64 GLU HA H 1 3.790 0.020 . 1 . . . A 663 GLU HA . 18986 1 786 . 1 1 64 64 GLU HB2 H 1 2.080 0.020 . 2 . . . A 663 GLU HB2 . 18986 1 787 . 1 1 64 64 GLU HB3 H 1 1.990 0.020 . 2 . . . A 663 GLU HB3 . 18986 1 788 . 1 1 64 64 GLU HG2 H 1 2.374 0.020 . 2 . . . A 663 GLU HG2 . 18986 1 789 . 1 1 64 64 GLU HG3 H 1 2.083 0.020 . 2 . . . A 663 GLU HG3 . 18986 1 790 . 1 1 64 64 GLU C C 13 179.229 0.300 . 1 . . . A 663 GLU C . 18986 1 791 . 1 1 64 64 GLU CA C 13 60.428 0.300 . 1 . . . A 663 GLU CA . 18986 1 792 . 1 1 64 64 GLU CB C 13 29.475 0.300 . 1 . . . A 663 GLU CB . 18986 1 793 . 1 1 64 64 GLU CG C 13 37.327 0.300 . 1 . . . A 663 GLU CG . 18986 1 794 . 1 1 64 64 GLU N N 15 117.706 0.250 . 1 . . . A 663 GLU N . 18986 1 795 . 1 1 65 65 LYS H H 1 7.590 0.020 . 1 . . . A 664 LYS H . 18986 1 796 . 1 1 65 65 LYS HA H 1 4.053 0.020 . 1 . . . A 664 LYS HA . 18986 1 797 . 1 1 65 65 LYS HB2 H 1 1.933 0.020 . 1 . . . A 664 LYS HB2 . 18986 1 798 . 1 1 65 65 LYS HB3 H 1 1.933 0.020 . 1 . . . A 664 LYS HB3 . 18986 1 799 . 1 1 65 65 LYS HG2 H 1 1.538 0.020 . 2 . . . A 664 LYS HG2 . 18986 1 800 . 1 1 65 65 LYS HG3 H 1 1.441 0.020 . 2 . . . A 664 LYS HG3 . 18986 1 801 . 1 1 65 65 LYS HD2 H 1 1.669 0.020 . 1 . . . A 664 LYS HD2 . 18986 1 802 . 1 1 65 65 LYS HD3 H 1 1.669 0.020 . 1 . . . A 664 LYS HD3 . 18986 1 803 . 1 1 65 65 LYS HE2 H 1 2.974 0.020 . 2 . . . A 664 LYS HE2 . 18986 1 804 . 1 1 65 65 LYS HE3 H 1 2.909 0.020 . 2 . . . A 664 LYS HE3 . 18986 1 805 . 1 1 65 65 LYS C C 13 178.661 0.300 . 1 . . . A 664 LYS C . 18986 1 806 . 1 1 65 65 LYS CA C 13 59.301 0.300 . 1 . . . A 664 LYS CA . 18986 1 807 . 1 1 65 65 LYS CB C 13 32.543 0.300 . 1 . . . A 664 LYS CB . 18986 1 808 . 1 1 65 65 LYS CG C 13 25.125 0.300 . 1 . . . A 664 LYS CG . 18986 1 809 . 1 1 65 65 LYS CD C 13 29.019 0.300 . 1 . . . A 664 LYS CD . 18986 1 810 . 1 1 65 65 LYS CE C 13 41.933 0.300 . 1 . . . A 664 LYS CE . 18986 1 811 . 1 1 65 65 LYS N N 15 119.586 0.250 . 1 . . . A 664 LYS N . 18986 1 812 . 1 1 66 66 LEU H H 1 8.075 0.020 . 1 . . . A 665 LEU H . 18986 1 813 . 1 1 66 66 LEU HA H 1 4.080 0.020 . 1 . . . A 665 LEU HA . 18986 1 814 . 1 1 66 66 LEU HB2 H 1 1.807 0.020 . 2 . . . A 665 LEU HB2 . 18986 1 815 . 1 1 66 66 LEU HB3 H 1 1.183 0.020 . 2 . . . A 665 LEU HB3 . 18986 1 816 . 1 1 66 66 LEU HG H 1 1.804 0.020 . 1 . . . A 665 LEU HG . 18986 1 817 . 1 1 66 66 LEU HD11 H 1 0.873 0.020 . 2 . . . A 665 LEU HD11 . 18986 1 818 . 1 1 66 66 LEU HD12 H 1 0.873 0.020 . 2 . . . A 665 LEU HD11 . 18986 1 819 . 1 1 66 66 LEU HD13 H 1 0.873 0.020 . 2 . . . A 665 LEU HD11 . 18986 1 820 . 1 1 66 66 LEU HD21 H 1 0.716 0.020 . 2 . . . A 665 LEU HD21 . 18986 1 821 . 1 1 66 66 LEU HD22 H 1 0.716 0.020 . 2 . . . A 665 LEU HD21 . 18986 1 822 . 1 1 66 66 LEU HD23 H 1 0.716 0.020 . 2 . . . A 665 LEU HD21 . 18986 1 823 . 1 1 66 66 LEU C C 13 179.420 0.300 . 1 . . . A 665 LEU C . 18986 1 824 . 1 1 66 66 LEU CA C 13 58.105 0.300 . 1 . . . A 665 LEU CA . 18986 1 825 . 1 1 66 66 LEU CB C 13 41.912 0.300 . 1 . . . A 665 LEU CB . 18986 1 826 . 1 1 66 66 LEU CG C 13 27.156 0.300 . 1 . . . A 665 LEU CG . 18986 1 827 . 1 1 66 66 LEU CD1 C 13 23.423 0.300 . 2 . . . A 665 LEU CD1 . 18986 1 828 . 1 1 66 66 LEU CD2 C 13 26.704 0.300 . 2 . . . A 665 LEU CD2 . 18986 1 829 . 1 1 66 66 LEU N N 15 119.756 0.250 . 1 . . . A 665 LEU N . 18986 1 830 . 1 1 67 67 LEU H H 1 8.550 0.020 . 1 . . . A 666 LEU H . 18986 1 831 . 1 1 67 67 LEU HA H 1 3.764 0.020 . 1 . . . A 666 LEU HA . 18986 1 832 . 1 1 67 67 LEU HB2 H 1 1.867 0.020 . 2 . . . A 666 LEU HB2 . 18986 1 833 . 1 1 67 67 LEU HB3 H 1 0.927 0.020 . 2 . . . A 666 LEU HB3 . 18986 1 834 . 1 1 67 67 LEU HG H 1 1.658 0.020 . 1 . . . A 666 LEU HG . 18986 1 835 . 1 1 67 67 LEU HD11 H 1 0.595 0.020 . 2 . . . A 666 LEU HD11 . 18986 1 836 . 1 1 67 67 LEU HD12 H 1 0.595 0.020 . 2 . . . A 666 LEU HD11 . 18986 1 837 . 1 1 67 67 LEU HD13 H 1 0.595 0.020 . 2 . . . A 666 LEU HD11 . 18986 1 838 . 1 1 67 67 LEU HD21 H 1 0.253 0.020 . 2 . . . A 666 LEU HD21 . 18986 1 839 . 1 1 67 67 LEU HD22 H 1 0.253 0.020 . 2 . . . A 666 LEU HD21 . 18986 1 840 . 1 1 67 67 LEU HD23 H 1 0.253 0.020 . 2 . . . A 666 LEU HD21 . 18986 1 841 . 1 1 67 67 LEU C C 13 179.204 0.300 . 1 . . . A 666 LEU C . 18986 1 842 . 1 1 67 67 LEU CA C 13 58.378 0.300 . 1 . . . A 666 LEU CA . 18986 1 843 . 1 1 67 67 LEU CB C 13 41.331 0.300 . 1 . . . A 666 LEU CB . 18986 1 844 . 1 1 67 67 LEU CG C 13 26.575 0.300 . 1 . . . A 666 LEU CG . 18986 1 845 . 1 1 67 67 LEU CD1 C 13 26.215 0.300 . 2 . . . A 666 LEU CD1 . 18986 1 846 . 1 1 67 67 LEU CD2 C 13 23.167 0.300 . 2 . . . A 666 LEU CD2 . 18986 1 847 . 1 1 67 67 LEU N N 15 118.788 0.250 . 1 . . . A 666 LEU N . 18986 1 848 . 1 1 68 68 THR H H 1 7.662 0.020 . 1 . . . A 667 THR H . 18986 1 849 . 1 1 68 68 THR HA H 1 3.839 0.020 . 1 . . . A 667 THR HA . 18986 1 850 . 1 1 68 68 THR HB H 1 4.367 0.020 . 1 . . . A 667 THR HB . 18986 1 851 . 1 1 68 68 THR HG21 H 1 1.257 0.020 . 1 . . . A 667 THR HG21 . 18986 1 852 . 1 1 68 68 THR HG22 H 1 1.257 0.020 . 1 . . . A 667 THR HG21 . 18986 1 853 . 1 1 68 68 THR HG23 H 1 1.257 0.020 . 1 . . . A 667 THR HG21 . 18986 1 854 . 1 1 68 68 THR C C 13 176.460 0.300 . 1 . . . A 667 THR C . 18986 1 855 . 1 1 68 68 THR CA C 13 67.098 0.300 . 1 . . . A 667 THR CA . 18986 1 856 . 1 1 68 68 THR CB C 13 68.468 0.300 . 1 . . . A 667 THR CB . 18986 1 857 . 1 1 68 68 THR CG2 C 13 21.924 0.300 . 1 . . . A 667 THR CG2 . 18986 1 858 . 1 1 68 68 THR N N 15 115.244 0.250 . 1 . . . A 667 THR N . 18986 1 859 . 1 1 69 69 ASP H H 1 8.291 0.020 . 1 . . . A 668 ASP H . 18986 1 860 . 1 1 69 69 ASP HA H 1 4.383 0.020 . 1 . . . A 668 ASP HA . 18986 1 861 . 1 1 69 69 ASP HB2 H 1 2.767 0.020 . 2 . . . A 668 ASP HB2 . 18986 1 862 . 1 1 69 69 ASP HB3 H 1 2.593 0.020 . 2 . . . A 668 ASP HB3 . 18986 1 863 . 1 1 69 69 ASP C C 13 179.912 0.300 . 1 . . . A 668 ASP C . 18986 1 864 . 1 1 69 69 ASP CA C 13 57.851 0.300 . 1 . . . A 668 ASP CA . 18986 1 865 . 1 1 69 69 ASP CB C 13 40.606 0.300 . 1 . . . A 668 ASP CB . 18986 1 866 . 1 1 69 69 ASP N N 15 122.862 0.250 . 1 . . . A 668 ASP N . 18986 1 867 . 1 1 70 70 MET H H 1 8.809 0.020 . 1 . . . A 669 MET H . 18986 1 868 . 1 1 70 70 MET HA H 1 3.917 0.020 . 1 . . . A 669 MET HA . 18986 1 869 . 1 1 70 70 MET HB2 H 1 2.171 0.020 . 2 . . . A 669 MET HB2 . 18986 1 870 . 1 1 70 70 MET HB3 H 1 1.892 0.020 . 2 . . . A 669 MET HB3 . 18986 1 871 . 1 1 70 70 MET HG2 H 1 2.992 0.020 . 2 . . . A 669 MET HG2 . 18986 1 872 . 1 1 70 70 MET HG3 H 1 2.238 0.020 . 2 . . . A 669 MET HG3 . 18986 1 873 . 1 1 70 70 MET HE1 H 1 2.023 0.020 . 1 . . . A 669 MET HE1 . 18986 1 874 . 1 1 70 70 MET HE2 H 1 2.023 0.020 . 1 . . . A 669 MET HE1 . 18986 1 875 . 1 1 70 70 MET HE3 H 1 2.023 0.020 . 1 . . . A 669 MET HE1 . 18986 1 876 . 1 1 70 70 MET C C 13 178.134 0.300 . 1 . . . A 669 MET C . 18986 1 877 . 1 1 70 70 MET CA C 13 59.954 0.300 . 1 . . . A 669 MET CA . 18986 1 878 . 1 1 70 70 MET CB C 13 34.808 0.300 . 1 . . . A 669 MET CB . 18986 1 879 . 1 1 70 70 MET CG C 13 33.652 0.300 . 1 . . . A 669 MET CG . 18986 1 880 . 1 1 70 70 MET CE C 13 17.952 0.300 . 1 . . . A 669 MET CE . 18986 1 881 . 1 1 70 70 MET N N 15 119.640 0.250 . 1 . . . A 669 MET N . 18986 1 882 . 1 1 71 71 ARG H H 1 8.450 0.020 . 1 . . . A 670 ARG H . 18986 1 883 . 1 1 71 71 ARG HA H 1 4.517 0.020 . 1 . . . A 670 ARG HA . 18986 1 884 . 1 1 71 71 ARG HB2 H 1 2.160 0.020 . 2 . . . A 670 ARG HB2 . 18986 1 885 . 1 1 71 71 ARG HB3 H 1 1.905 0.020 . 2 . . . A 670 ARG HB3 . 18986 1 886 . 1 1 71 71 ARG HG2 H 1 1.891 0.020 . 2 . . . A 670 ARG HG2 . 18986 1 887 . 1 1 71 71 ARG HG3 H 1 1.819 0.020 . 2 . . . A 670 ARG HG3 . 18986 1 888 . 1 1 71 71 ARG HD2 H 1 3.488 0.020 . 2 . . . A 670 ARG HD2 . 18986 1 889 . 1 1 71 71 ARG HD3 H 1 3.342 0.020 . 2 . . . A 670 ARG HD3 . 18986 1 890 . 1 1 71 71 ARG C C 13 180.648 0.300 . 1 . . . A 670 ARG C . 18986 1 891 . 1 1 71 71 ARG CA C 13 58.942 0.300 . 1 . . . A 670 ARG CA . 18986 1 892 . 1 1 71 71 ARG CB C 13 30.024 0.300 . 1 . . . A 670 ARG CB . 18986 1 893 . 1 1 71 71 ARG CG C 13 27.448 0.300 . 1 . . . A 670 ARG CG . 18986 1 894 . 1 1 71 71 ARG CD C 13 43.581 0.300 . 1 . . . A 670 ARG CD . 18986 1 895 . 1 1 71 71 ARG N N 15 122.614 0.250 . 1 . . . A 670 ARG N . 18986 1 896 . 1 1 72 72 LYS H H 1 8.609 0.020 . 1 . . . A 671 LYS H . 18986 1 897 . 1 1 72 72 LYS HA H 1 4.113 0.020 . 1 . . . A 671 LYS HA . 18986 1 898 . 1 1 72 72 LYS HB2 H 1 1.995 0.020 . 1 . . . A 671 LYS HB2 . 18986 1 899 . 1 1 72 72 LYS HB3 H 1 1.995 0.020 . 1 . . . A 671 LYS HB3 . 18986 1 900 . 1 1 72 72 LYS HG2 H 1 1.699 0.020 . 2 . . . A 671 LYS HG2 . 18986 1 901 . 1 1 72 72 LYS HG3 H 1 1.511 0.020 . 2 . . . A 671 LYS HG3 . 18986 1 902 . 1 1 72 72 LYS HD2 H 1 1.699 0.020 . 1 . . . A 671 LYS HD2 . 18986 1 903 . 1 1 72 72 LYS HD3 H 1 1.699 0.020 . 1 . . . A 671 LYS HD3 . 18986 1 904 . 1 1 72 72 LYS HE2 H 1 2.951 0.020 . 1 . . . A 671 LYS HE2 . 18986 1 905 . 1 1 72 72 LYS HE3 H 1 2.951 0.020 . 1 . . . A 671 LYS HE3 . 18986 1 906 . 1 1 72 72 LYS C C 13 178.863 0.300 . 1 . . . A 671 LYS C . 18986 1 907 . 1 1 72 72 LYS CA C 13 59.806 0.300 . 1 . . . A 671 LYS CA . 18986 1 908 . 1 1 72 72 LYS CB C 13 32.224 0.300 . 1 . . . A 671 LYS CB . 18986 1 909 . 1 1 72 72 LYS CG C 13 25.690 0.300 . 1 . . . A 671 LYS CG . 18986 1 910 . 1 1 72 72 LYS CD C 13 29.084 0.300 . 1 . . . A 671 LYS CD . 18986 1 911 . 1 1 72 72 LYS CE C 13 41.787 0.300 . 1 . . . A 671 LYS CE . 18986 1 912 . 1 1 72 72 LYS N N 15 121.976 0.250 . 1 . . . A 671 LYS N . 18986 1 913 . 1 1 73 73 SER H H 1 7.884 0.020 . 1 . . . A 672 SER H . 18986 1 914 . 1 1 73 73 SER HA H 1 4.469 0.020 . 1 . . . A 672 SER HA . 18986 1 915 . 1 1 73 73 SER HB2 H 1 4.003 0.020 . 2 . . . A 672 SER HB2 . 18986 1 916 . 1 1 73 73 SER HB3 H 1 3.917 0.020 . 2 . . . A 672 SER HB3 . 18986 1 917 . 1 1 73 73 SER C C 13 174.412 0.300 . 1 . . . A 672 SER C . 18986 1 918 . 1 1 73 73 SER CA C 13 59.510 0.300 . 1 . . . A 672 SER CA . 18986 1 919 . 1 1 73 73 SER CB C 13 64.063 0.300 . 1 . . . A 672 SER CB . 18986 1 920 . 1 1 73 73 SER N N 15 111.655 0.250 . 1 . . . A 672 SER N . 18986 1 921 . 1 1 74 74 GLY H H 1 7.774 0.020 . 1 . . . A 673 GLY H . 18986 1 922 . 1 1 74 74 GLY HA2 H 1 3.939 0.020 . 2 . . . A 673 GLY HA2 . 18986 1 923 . 1 1 74 74 GLY HA3 H 1 4.139 0.020 . 2 . . . A 673 GLY HA3 . 18986 1 924 . 1 1 74 74 GLY C C 13 174.212 0.300 . 1 . . . A 673 GLY C . 18986 1 925 . 1 1 74 74 GLY CA C 13 45.995 0.300 . 1 . . . A 673 GLY CA . 18986 1 926 . 1 1 74 74 GLY N N 15 108.029 0.250 . 1 . . . A 673 GLY N . 18986 1 927 . 1 1 75 75 ILE H H 1 8.026 0.020 . 1 . . . A 674 ILE H . 18986 1 928 . 1 1 75 75 ILE HA H 1 4.101 0.020 . 1 . . . A 674 ILE HA . 18986 1 929 . 1 1 75 75 ILE HB H 1 1.738 0.020 . 1 . . . A 674 ILE HB . 18986 1 930 . 1 1 75 75 ILE HG12 H 1 1.136 0.020 . 2 . . . A 674 ILE HG12 . 18986 1 931 . 1 1 75 75 ILE HG13 H 1 1.523 0.020 . 2 . . . A 674 ILE HG13 . 18986 1 932 . 1 1 75 75 ILE HG21 H 1 0.953 0.020 . 1 . . . A 674 ILE HG21 . 18986 1 933 . 1 1 75 75 ILE HG22 H 1 0.953 0.020 . 1 . . . A 674 ILE HG21 . 18986 1 934 . 1 1 75 75 ILE HG23 H 1 0.953 0.020 . 1 . . . A 674 ILE HG21 . 18986 1 935 . 1 1 75 75 ILE HD11 H 1 0.840 0.020 . 1 . . . A 674 ILE HD11 . 18986 1 936 . 1 1 75 75 ILE HD12 H 1 0.840 0.020 . 1 . . . A 674 ILE HD11 . 18986 1 937 . 1 1 75 75 ILE HD13 H 1 0.840 0.020 . 1 . . . A 674 ILE HD11 . 18986 1 938 . 1 1 75 75 ILE C C 13 176.700 0.300 . 1 . . . A 674 ILE C . 18986 1 939 . 1 1 75 75 ILE CA C 13 62.962 0.300 . 1 . . . A 674 ILE CA . 18986 1 940 . 1 1 75 75 ILE CB C 13 39.524 0.300 . 1 . . . A 674 ILE CB . 18986 1 941 . 1 1 75 75 ILE CG1 C 13 28.267 0.300 . 1 . . . A 674 ILE CG1 . 18986 1 942 . 1 1 75 75 ILE CG2 C 13 17.959 0.300 . 1 . . . A 674 ILE CG2 . 18986 1 943 . 1 1 75 75 ILE CD1 C 13 13.738 0.300 . 1 . . . A 674 ILE CD1 . 18986 1 944 . 1 1 75 75 ILE N N 15 116.193 0.250 . 1 . . . A 674 ILE N . 18986 1 945 . 1 1 76 76 ILE H H 1 7.120 0.020 . 1 . . . A 675 ILE H . 18986 1 946 . 1 1 76 76 ILE HA H 1 5.358 0.020 . 1 . . . A 675 ILE HA . 18986 1 947 . 1 1 76 76 ILE HB H 1 1.878 0.020 . 1 . . . A 675 ILE HB . 18986 1 948 . 1 1 76 76 ILE HG12 H 1 1.025 0.020 . 2 . . . A 675 ILE HG12 . 18986 1 949 . 1 1 76 76 ILE HG13 H 1 0.627 0.020 . 2 . . . A 675 ILE HG13 . 18986 1 950 . 1 1 76 76 ILE HG21 H 1 0.755 0.020 . 1 . . . A 675 ILE HG21 . 18986 1 951 . 1 1 76 76 ILE HG22 H 1 0.755 0.020 . 1 . . . A 675 ILE HG21 . 18986 1 952 . 1 1 76 76 ILE HG23 H 1 0.755 0.020 . 1 . . . A 675 ILE HG21 . 18986 1 953 . 1 1 76 76 ILE HD11 H 1 0.388 0.020 . 1 . . . A 675 ILE HD11 . 18986 1 954 . 1 1 76 76 ILE HD12 H 1 0.388 0.020 . 1 . . . A 675 ILE HD11 . 18986 1 955 . 1 1 76 76 ILE HD13 H 1 0.388 0.020 . 1 . . . A 675 ILE HD11 . 18986 1 956 . 1 1 76 76 ILE C C 13 173.517 0.300 . 1 . . . A 675 ILE C . 18986 1 957 . 1 1 76 76 ILE CA C 13 58.744 0.300 . 1 . . . A 675 ILE CA . 18986 1 958 . 1 1 76 76 ILE CB C 13 42.206 0.300 . 1 . . . A 675 ILE CB . 18986 1 959 . 1 1 76 76 ILE CG1 C 13 24.153 0.300 . 1 . . . A 675 ILE CG1 . 18986 1 960 . 1 1 76 76 ILE CG2 C 13 17.246 0.300 . 1 . . . A 675 ILE CG2 . 18986 1 961 . 1 1 76 76 ILE CD1 C 13 14.466 0.300 . 1 . . . A 675 ILE CD1 . 18986 1 962 . 1 1 76 76 ILE N N 15 108.928 0.250 . 1 . . . A 675 ILE N . 18986 1 963 . 1 1 77 77 TYR H H 1 9.380 0.020 . 1 . . . A 676 TYR H . 18986 1 964 . 1 1 77 77 TYR HA H 1 4.995 0.020 . 1 . . . A 676 TYR HA . 18986 1 965 . 1 1 77 77 TYR HB2 H 1 3.010 0.020 . 2 . . . A 676 TYR HB2 . 18986 1 966 . 1 1 77 77 TYR HB3 H 1 2.814 0.020 . 2 . . . A 676 TYR HB3 . 18986 1 967 . 1 1 77 77 TYR HD1 H 1 6.843 0.020 . 1 . . . A 676 TYR HD1 . 18986 1 968 . 1 1 77 77 TYR HD2 H 1 6.843 0.020 . 1 . . . A 676 TYR HD2 . 18986 1 969 . 1 1 77 77 TYR HE1 H 1 6.686 0.020 . 1 . . . A 676 TYR HE1 . 18986 1 970 . 1 1 77 77 TYR HE2 H 1 6.686 0.020 . 1 . . . A 676 TYR HE2 . 18986 1 971 . 1 1 77 77 TYR C C 13 172.740 0.300 . 1 . . . A 676 TYR C . 18986 1 972 . 1 1 77 77 TYR CA C 13 55.613 0.300 . 1 . . . A 676 TYR CA . 18986 1 973 . 1 1 77 77 TYR CB C 13 41.236 0.300 . 1 . . . A 676 TYR CB . 18986 1 974 . 1 1 77 77 TYR CD1 C 13 133.790 0.300 . 1 . . . A 676 TYR CD1 . 18986 1 975 . 1 1 77 77 TYR CD2 C 13 133.790 0.300 . 1 . . . A 676 TYR CD2 . 18986 1 976 . 1 1 77 77 TYR CE1 C 13 117.747 0.300 . 1 . . . A 676 TYR CE1 . 18986 1 977 . 1 1 77 77 TYR CE2 C 13 117.747 0.300 . 1 . . . A 676 TYR CE2 . 18986 1 978 . 1 1 77 77 TYR N N 15 118.062 0.250 . 1 . . . A 676 TYR N . 18986 1 979 . 1 1 78 78 GLU H H 1 8.951 0.020 . 1 . . . A 677 GLU H . 18986 1 980 . 1 1 78 78 GLU HA H 1 3.826 0.020 . 1 . . . A 677 GLU HA . 18986 1 981 . 1 1 78 78 GLU HB2 H 1 1.998 0.020 . 2 . . . A 677 GLU HB2 . 18986 1 982 . 1 1 78 78 GLU HB3 H 1 1.522 0.020 . 2 . . . A 677 GLU HB3 . 18986 1 983 . 1 1 78 78 GLU HG2 H 1 1.622 0.020 . 2 . . . A 677 GLU HG2 . 18986 1 984 . 1 1 78 78 GLU HG3 H 1 1.520 0.020 . 2 . . . A 677 GLU HG3 . 18986 1 985 . 1 1 78 78 GLU C C 13 174.866 0.300 . 1 . . . A 677 GLU C . 18986 1 986 . 1 1 78 78 GLU CA C 13 55.196 0.300 . 1 . . . A 677 GLU CA . 18986 1 987 . 1 1 78 78 GLU CB C 13 29.332 0.300 . 1 . . . A 677 GLU CB . 18986 1 988 . 1 1 78 78 GLU CG C 13 38.126 0.300 . 1 . . . A 677 GLU CG . 18986 1 989 . 1 1 78 78 GLU N N 15 123.578 0.250 . 1 . . . A 677 GLU N . 18986 1 990 . 1 1 79 79 ALA H H 1 7.912 0.020 . 1 . . . A 678 ALA H . 18986 1 991 . 1 1 79 79 ALA HA H 1 4.041 0.020 . 1 . . . A 678 ALA HA . 18986 1 992 . 1 1 79 79 ALA HB1 H 1 1.137 0.020 . 1 . . . A 678 ALA HB1 . 18986 1 993 . 1 1 79 79 ALA HB2 H 1 1.137 0.020 . 1 . . . A 678 ALA HB1 . 18986 1 994 . 1 1 79 79 ALA HB3 H 1 1.137 0.020 . 1 . . . A 678 ALA HB1 . 18986 1 995 . 1 1 79 79 ALA C C 13 177.939 0.300 . 1 . . . A 678 ALA C . 18986 1 996 . 1 1 79 79 ALA CA C 13 54.321 0.300 . 1 . . . A 678 ALA CA . 18986 1 997 . 1 1 79 79 ALA CB C 13 19.319 0.300 . 1 . . . A 678 ALA CB . 18986 1 998 . 1 1 79 79 ALA N N 15 133.220 0.250 . 1 . . . A 678 ALA N . 18986 1 999 . 1 1 80 80 LYS H H 1 8.215 0.020 . 1 . . . A 679 LYS H . 18986 1 1000 . 1 1 80 80 LYS HA H 1 4.435 0.020 . 1 . . . A 679 LYS HA . 18986 1 1001 . 1 1 80 80 LYS HB2 H 1 1.913 0.020 . 2 . . . A 679 LYS HB2 . 18986 1 1002 . 1 1 80 80 LYS HB3 H 1 1.356 0.020 . 2 . . . A 679 LYS HB3 . 18986 1 1003 . 1 1 80 80 LYS HG2 H 1 1.415 0.020 . 2 . . . A 679 LYS HG2 . 18986 1 1004 . 1 1 80 80 LYS HG3 H 1 1.319 0.020 . 2 . . . A 679 LYS HG3 . 18986 1 1005 . 1 1 80 80 LYS HD2 H 1 1.575 0.020 . 1 . . . A 679 LYS HD2 . 18986 1 1006 . 1 1 80 80 LYS HD3 H 1 1.575 0.020 . 1 . . . A 679 LYS HD3 . 18986 1 1007 . 1 1 80 80 LYS HE2 H 1 2.914 0.020 . 1 . . . A 679 LYS HE2 . 18986 1 1008 . 1 1 80 80 LYS HE3 H 1 2.914 0.020 . 1 . . . A 679 LYS HE3 . 18986 1 1009 . 1 1 80 80 LYS CA C 13 53.736 0.300 . 1 . . . A 679 LYS CA . 18986 1 1010 . 1 1 80 80 LYS CB C 13 33.715 0.300 . 1 . . . A 679 LYS CB . 18986 1 1011 . 1 1 80 80 LYS CG C 13 25.294 0.300 . 1 . . . A 679 LYS CG . 18986 1 1012 . 1 1 80 80 LYS CD C 13 29.275 0.300 . 1 . . . A 679 LYS CD . 18986 1 1013 . 1 1 80 80 LYS CE C 13 41.991 0.300 . 1 . . . A 679 LYS CE . 18986 1 1014 . 1 1 80 80 LYS N N 15 115.687 0.250 . 1 . . . A 679 LYS N . 18986 1 1015 . 1 1 81 81 PRO HA H 1 4.019 0.020 . 1 . . . A 680 PRO HA . 18986 1 1016 . 1 1 81 81 PRO HB2 H 1 2.205 0.020 . 2 . . . A 680 PRO HB2 . 18986 1 1017 . 1 1 81 81 PRO HB3 H 1 1.751 0.020 . 2 . . . A 680 PRO HB3 . 18986 1 1018 . 1 1 81 81 PRO HG2 H 1 2.076 0.020 . 2 . . . A 680 PRO HG2 . 18986 1 1019 . 1 1 81 81 PRO HG3 H 1 1.872 0.020 . 2 . . . A 680 PRO HG3 . 18986 1 1020 . 1 1 81 81 PRO HD2 H 1 3.641 0.020 . 2 . . . A 680 PRO HD2 . 18986 1 1021 . 1 1 81 81 PRO HD3 H 1 3.440 0.020 . 2 . . . A 680 PRO HD3 . 18986 1 1022 . 1 1 81 81 PRO C C 13 177.224 0.300 . 1 . . . A 680 PRO C . 18986 1 1023 . 1 1 81 81 PRO CA C 13 65.238 0.300 . 1 . . . A 680 PRO CA . 18986 1 1024 . 1 1 81 81 PRO CB C 13 31.035 0.300 . 1 . . . A 680 PRO CB . 18986 1 1025 . 1 1 81 81 PRO CG C 13 28.070 0.300 . 1 . . . A 680 PRO CG . 18986 1 1026 . 1 1 81 81 PRO CD C 13 49.560 0.300 . 1 . . . A 680 PRO CD . 18986 1 1027 . 1 1 82 82 GLU H H 1 10.003 0.020 . 1 . . . A 681 GLU H . 18986 1 1028 . 1 1 82 82 GLU HA H 1 3.438 0.020 . 1 . . . A 681 GLU HA . 18986 1 1029 . 1 1 82 82 GLU HB2 H 1 2.224 0.020 . 2 . . . A 681 GLU HB2 . 18986 1 1030 . 1 1 82 82 GLU HB3 H 1 2.146 0.020 . 2 . . . A 681 GLU HB3 . 18986 1 1031 . 1 1 82 82 GLU HG2 H 1 2.160 0.020 . 2 . . . A 681 GLU HG2 . 18986 1 1032 . 1 1 82 82 GLU HG3 H 1 2.115 0.020 . 2 . . . A 681 GLU HG3 . 18986 1 1033 . 1 1 82 82 GLU C C 13 175.610 0.300 . 1 . . . A 681 GLU C . 18986 1 1034 . 1 1 82 82 GLU CA C 13 57.201 0.300 . 1 . . . A 681 GLU CA . 18986 1 1035 . 1 1 82 82 GLU CB C 13 27.509 0.300 . 1 . . . A 681 GLU CB . 18986 1 1036 . 1 1 82 82 GLU CG C 13 37.120 0.300 . 1 . . . A 681 GLU CG . 18986 1 1037 . 1 1 82 82 GLU N N 15 118.851 0.250 . 1 . . . A 681 GLU N . 18986 1 1038 . 1 1 83 83 CYS H H 1 7.860 0.020 . 1 . . . A 682 CYS H . 18986 1 1039 . 1 1 83 83 CYS HA H 1 5.027 0.020 . 1 . . . A 682 CYS HA . 18986 1 1040 . 1 1 83 83 CYS HB2 H 1 2.830 0.020 . 2 . . . A 682 CYS HB2 . 18986 1 1041 . 1 1 83 83 CYS HB3 H 1 2.715 0.020 . 2 . . . A 682 CYS HB3 . 18986 1 1042 . 1 1 83 83 CYS C C 13 174.625 0.300 . 1 . . . A 682 CYS C . 18986 1 1043 . 1 1 83 83 CYS CA C 13 56.964 0.300 . 1 . . . A 682 CYS CA . 18986 1 1044 . 1 1 83 83 CYS CB C 13 48.015 0.300 . 1 . . . A 682 CYS CB . 18986 1 1045 . 1 1 83 83 CYS N N 15 120.934 0.250 . 1 . . . A 682 CYS N . 18986 1 1046 . 1 1 84 84 TYR H H 1 9.297 0.020 . 1 . . . A 683 TYR H . 18986 1 1047 . 1 1 84 84 TYR HA H 1 5.224 0.020 . 1 . . . A 683 TYR HA . 18986 1 1048 . 1 1 84 84 TYR HB2 H 1 2.734 0.020 . 2 . . . A 683 TYR HB2 . 18986 1 1049 . 1 1 84 84 TYR HB3 H 1 2.628 0.020 . 2 . . . A 683 TYR HB3 . 18986 1 1050 . 1 1 84 84 TYR HD1 H 1 6.713 0.020 . 1 . . . A 683 TYR HD1 . 18986 1 1051 . 1 1 84 84 TYR HD2 H 1 6.713 0.020 . 1 . . . A 683 TYR HD2 . 18986 1 1052 . 1 1 84 84 TYR HE1 H 1 6.466 0.020 . 1 . . . A 683 TYR HE1 . 18986 1 1053 . 1 1 84 84 TYR HE2 H 1 6.466 0.020 . 1 . . . A 683 TYR HE2 . 18986 1 1054 . 1 1 84 84 TYR C C 13 175.728 0.300 . 1 . . . A 683 TYR C . 18986 1 1055 . 1 1 84 84 TYR CA C 13 59.288 0.300 . 1 . . . A 683 TYR CA . 18986 1 1056 . 1 1 84 84 TYR CB C 13 43.672 0.300 . 1 . . . A 683 TYR CB . 18986 1 1057 . 1 1 84 84 TYR CD1 C 13 132.580 0.300 . 1 . . . A 683 TYR CD1 . 18986 1 1058 . 1 1 84 84 TYR CD2 C 13 132.580 0.300 . 1 . . . A 683 TYR CD2 . 18986 1 1059 . 1 1 84 84 TYR CE1 C 13 117.333 0.300 . 1 . . . A 683 TYR CE1 . 18986 1 1060 . 1 1 84 84 TYR CE2 C 13 117.333 0.300 . 1 . . . A 683 TYR CE2 . 18986 1 1061 . 1 1 84 84 TYR N N 15 126.183 0.250 . 1 . . . A 683 TYR N . 18986 1 1062 . 1 1 85 85 LYS H H 1 8.630 0.020 . 1 . . . A 684 LYS H . 18986 1 1063 . 1 1 85 85 LYS HA H 1 4.437 0.020 . 1 . . . A 684 LYS HA . 18986 1 1064 . 1 1 85 85 LYS HB2 H 1 1.701 0.020 . 2 . . . A 684 LYS HB2 . 18986 1 1065 . 1 1 85 85 LYS HB3 H 1 1.107 0.020 . 2 . . . A 684 LYS HB3 . 18986 1 1066 . 1 1 85 85 LYS HG2 H 1 1.469 0.020 . 2 . . . A 684 LYS HG2 . 18986 1 1067 . 1 1 85 85 LYS HG3 H 1 1.269 0.020 . 2 . . . A 684 LYS HG3 . 18986 1 1068 . 1 1 85 85 LYS HD2 H 1 1.722 0.020 . 1 . . . A 684 LYS HD2 . 18986 1 1069 . 1 1 85 85 LYS HD3 H 1 1.722 0.020 . 1 . . . A 684 LYS HD3 . 18986 1 1070 . 1 1 85 85 LYS HE2 H 1 3.069 0.020 . 2 . . . A 684 LYS HE2 . 18986 1 1071 . 1 1 85 85 LYS HE3 H 1 3.004 0.020 . 2 . . . A 684 LYS HE3 . 18986 1 1072 . 1 1 85 85 LYS C C 13 174.348 0.300 . 1 . . . A 684 LYS C . 18986 1 1073 . 1 1 85 85 LYS CA C 13 55.023 0.300 . 1 . . . A 684 LYS CA . 18986 1 1074 . 1 1 85 85 LYS CB C 13 37.397 0.300 . 1 . . . A 684 LYS CB . 18986 1 1075 . 1 1 85 85 LYS CG C 13 25.613 0.300 . 1 . . . A 684 LYS CG . 18986 1 1076 . 1 1 85 85 LYS CD C 13 29.376 0.300 . 1 . . . A 684 LYS CD . 18986 1 1077 . 1 1 85 85 LYS CE C 13 41.575 0.300 . 1 . . . A 684 LYS CE . 18986 1 1078 . 1 1 85 85 LYS N N 15 118.604 0.250 . 1 . . . A 684 LYS N . 18986 1 1079 . 1 1 86 86 LYS H H 1 8.969 0.020 . 1 . . . A 685 LYS H . 18986 1 1080 . 1 1 86 86 LYS HA H 1 4.644 0.020 . 1 . . . A 685 LYS HA . 18986 1 1081 . 1 1 86 86 LYS HB2 H 1 1.920 0.020 . 2 . . . A 685 LYS HB2 . 18986 1 1082 . 1 1 86 86 LYS HB3 H 1 1.721 0.020 . 2 . . . A 685 LYS HB3 . 18986 1 1083 . 1 1 86 86 LYS HG2 H 1 1.677 0.020 . 2 . . . A 685 LYS HG2 . 18986 1 1084 . 1 1 86 86 LYS HG3 H 1 1.531 0.020 . 2 . . . A 685 LYS HG3 . 18986 1 1085 . 1 1 86 86 LYS HD2 H 1 1.756 0.020 . 2 . . . A 685 LYS HD2 . 18986 1 1086 . 1 1 86 86 LYS HD3 H 1 1.693 0.020 . 2 . . . A 685 LYS HD3 . 18986 1 1087 . 1 1 86 86 LYS HE2 H 1 3.013 0.020 . 2 . . . A 685 LYS HE2 . 18986 1 1088 . 1 1 86 86 LYS HE3 H 1 2.926 0.020 . 2 . . . A 685 LYS HE3 . 18986 1 1089 . 1 1 86 86 LYS C C 13 176.057 0.300 . 1 . . . A 685 LYS C . 18986 1 1090 . 1 1 86 86 LYS CA C 13 56.973 0.300 . 1 . . . A 685 LYS CA . 18986 1 1091 . 1 1 86 86 LYS CB C 13 33.647 0.300 . 1 . . . A 685 LYS CB . 18986 1 1092 . 1 1 86 86 LYS CG C 13 24.738 0.300 . 1 . . . A 685 LYS CG . 18986 1 1093 . 1 1 86 86 LYS CD C 13 29.469 0.300 . 1 . . . A 685 LYS CD . 18986 1 1094 . 1 1 86 86 LYS CE C 13 41.320 0.300 . 1 . . . A 685 LYS CE . 18986 1 1095 . 1 1 86 86 LYS N N 15 122.869 0.250 . 1 . . . A 685 LYS N . 18986 1 1096 . 1 1 87 87 VAL H H 1 7.687 0.020 . 1 . . . A 686 VAL H . 18986 1 1097 . 1 1 87 87 VAL HA H 1 3.773 0.020 . 1 . . . A 686 VAL HA . 18986 1 1098 . 1 1 87 87 VAL HB H 1 1.888 0.020 . 1 . . . A 686 VAL HB . 18986 1 1099 . 1 1 87 87 VAL HG11 H 1 0.892 0.020 . 2 . . . A 686 VAL HG11 . 18986 1 1100 . 1 1 87 87 VAL HG12 H 1 0.892 0.020 . 2 . . . A 686 VAL HG11 . 18986 1 1101 . 1 1 87 87 VAL HG13 H 1 0.892 0.020 . 2 . . . A 686 VAL HG11 . 18986 1 1102 . 1 1 87 87 VAL HG21 H 1 0.804 0.020 . 2 . . . A 686 VAL HG21 . 18986 1 1103 . 1 1 87 87 VAL HG22 H 1 0.804 0.020 . 2 . . . A 686 VAL HG21 . 18986 1 1104 . 1 1 87 87 VAL HG23 H 1 0.804 0.020 . 2 . . . A 686 VAL HG21 . 18986 1 1105 . 1 1 87 87 VAL C C 13 181.323 0.300 . 1 . . . A 686 VAL C . 18986 1 1106 . 1 1 87 87 VAL CA C 13 66.279 0.300 . 1 . . . A 686 VAL CA . 18986 1 1107 . 1 1 87 87 VAL CB C 13 32.073 0.300 . 1 . . . A 686 VAL CB . 18986 1 1108 . 1 1 87 87 VAL CG1 C 13 21.595 0.300 . 2 . . . A 686 VAL CG1 . 18986 1 1109 . 1 1 87 87 VAL CG2 C 13 22.517 0.300 . 2 . . . A 686 VAL CG2 . 18986 1 1110 . 1 1 87 87 VAL N N 15 129.560 0.250 . 1 . . . A 686 VAL N . 18986 1 stop_ save_