data_18183 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18183 _Entry.Title ; Identification and structural basis for a novel interaction between Vav2 and Arap3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-05 _Entry.Accession_date 2012-01-05 _Entry.Last_release_date 2012-01-19 _Entry.Original_release_date 2012-01-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Bo Wu . . . . 18183 2 Jiahai Zhang . . . . 18183 3 Jihui Wu . . . . 18183 4 Yunyu Shi . . . . 18183 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' . 18183 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Identification and structural basis for a novel interaction between Vav2 and Arap3' . 18183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 18183 '15N chemical shifts' 116 18183 '1H chemical shifts' 821 18183 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-11-19 . original BMRB . 18183 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18182 'free as' 18183 PDB 2LNX 'BMRB Entry Tracking System' 18183 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18183 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22750419 _Citation.Full_citation . _Citation.Title ; Identification and structural basis for a novel interaction between Vav2 and Arap3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 180 _Citation.Journal_issue 1 _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 84 _Citation.Page_last 95 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bo Wu . . . . 18183 1 2 Fengsong Wang . . . . 18183 1 3 Jiahai Zhang . . . . 18183 1 4 Zhiyong Zhang . . . . 18183 1 5 Liying Qin . . . . 18183 1 6 Junhui Peng . . . . 18183 1 7 Fudong Li . . . . 18183 1 8 Jianping Liu . . . . 18183 1 9 Guowei Lu . . . . 18183 1 10 Qingguo Gong . . . . 18183 1 11 Xuebiao Yao . . . . 18183 1 12 Jihui Wu . . . . 18183 1 13 Yunyu Shi . . . . 18183 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18183 _Assembly.ID 1 _Assembly.Name Vav2 _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 Vav2 1 $entity A . yes native no no . . . 18183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18183 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SRPPSREIDYTAYPWFAGNM ERQQTDNLLKSHASGTYLIR ERPAEAERFAISIKFNDEVK HIKVVEKDNWIHITEAKKFD SLLELVEYYQCHSLKESFKQ LDTTLKYPYKSRE ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13480.319 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 659 SER . 18183 1 2 660 ARG . 18183 1 3 661 PRO . 18183 1 4 662 PRO . 18183 1 5 663 SER . 18183 1 6 664 ARG . 18183 1 7 665 GLU . 18183 1 8 666 ILE . 18183 1 9 667 ASP . 18183 1 10 668 TYR . 18183 1 11 669 THR . 18183 1 12 670 ALA . 18183 1 13 671 TYR . 18183 1 14 672 PRO . 18183 1 15 673 TRP . 18183 1 16 674 PHE . 18183 1 17 675 ALA . 18183 1 18 676 GLY . 18183 1 19 677 ASN . 18183 1 20 678 MET . 18183 1 21 679 GLU . 18183 1 22 680 ARG . 18183 1 23 681 GLN . 18183 1 24 682 GLN . 18183 1 25 683 THR . 18183 1 26 684 ASP . 18183 1 27 685 ASN . 18183 1 28 686 LEU . 18183 1 29 687 LEU . 18183 1 30 688 LYS . 18183 1 31 689 SER . 18183 1 32 690 HIS . 18183 1 33 691 ALA . 18183 1 34 692 SER . 18183 1 35 693 GLY . 18183 1 36 694 THR . 18183 1 37 695 TYR . 18183 1 38 696 LEU . 18183 1 39 697 ILE . 18183 1 40 698 ARG . 18183 1 41 699 GLU . 18183 1 42 700 ARG . 18183 1 43 701 PRO . 18183 1 44 702 ALA . 18183 1 45 703 GLU . 18183 1 46 704 ALA . 18183 1 47 705 GLU . 18183 1 48 706 ARG . 18183 1 49 707 PHE . 18183 1 50 708 ALA . 18183 1 51 709 ILE . 18183 1 52 710 SER . 18183 1 53 711 ILE . 18183 1 54 712 LYS . 18183 1 55 713 PHE . 18183 1 56 714 ASN . 18183 1 57 715 ASP . 18183 1 58 716 GLU . 18183 1 59 717 VAL . 18183 1 60 718 LYS . 18183 1 61 719 HIS . 18183 1 62 720 ILE . 18183 1 63 721 LYS . 18183 1 64 722 VAL . 18183 1 65 723 VAL . 18183 1 66 724 GLU . 18183 1 67 725 LYS . 18183 1 68 726 ASP . 18183 1 69 727 ASN . 18183 1 70 728 TRP . 18183 1 71 729 ILE . 18183 1 72 730 HIS . 18183 1 73 731 ILE . 18183 1 74 732 THR . 18183 1 75 733 GLU . 18183 1 76 734 ALA . 18183 1 77 735 LYS . 18183 1 78 736 LYS . 18183 1 79 737 PHE . 18183 1 80 738 ASP . 18183 1 81 739 SER . 18183 1 82 740 LEU . 18183 1 83 741 LEU . 18183 1 84 742 GLU . 18183 1 85 743 LEU . 18183 1 86 744 VAL . 18183 1 87 745 GLU . 18183 1 88 746 TYR . 18183 1 89 747 TYR . 18183 1 90 748 GLN . 18183 1 91 749 CYS . 18183 1 92 750 HIS . 18183 1 93 751 SER . 18183 1 94 752 LEU . 18183 1 95 753 LYS . 18183 1 96 754 GLU . 18183 1 97 755 SER . 18183 1 98 756 PHE . 18183 1 99 757 LYS . 18183 1 100 758 GLN . 18183 1 101 759 LEU . 18183 1 102 760 ASP . 18183 1 103 761 THR . 18183 1 104 762 THR . 18183 1 105 763 LEU . 18183 1 106 764 LYS . 18183 1 107 765 TYR . 18183 1 108 766 PRO . 18183 1 109 767 TYR . 18183 1 110 768 LYS . 18183 1 111 769 SER . 18183 1 112 770 ARG . 18183 1 113 771 GLU . 18183 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 . SER 1 1 18183 1 . ARG 2 2 18183 1 . PRO 3 3 18183 1 . PRO 4 4 18183 1 . SER 5 5 18183 1 . ARG 6 6 18183 1 . GLU 7 7 18183 1 . ILE 8 8 18183 1 . ASP 9 9 18183 1 . TYR 10 10 18183 1 . THR 11 11 18183 1 . ALA 12 12 18183 1 . TYR 13 13 18183 1 . PRO 14 14 18183 1 . TRP 15 15 18183 1 . PHE 16 16 18183 1 . ALA 17 17 18183 1 . GLY 18 18 18183 1 . ASN 19 19 18183 1 . MET 20 20 18183 1 . GLU 21 21 18183 1 . ARG 22 22 18183 1 . GLN 23 23 18183 1 . GLN 24 24 18183 1 . THR 25 25 18183 1 . ASP 26 26 18183 1 . ASN 27 27 18183 1 . LEU 28 28 18183 1 . LEU 29 29 18183 1 . LYS 30 30 18183 1 . SER 31 31 18183 1 . HIS 32 32 18183 1 . ALA 33 33 18183 1 . SER 34 34 18183 1 . GLY 35 35 18183 1 . THR 36 36 18183 1 . TYR 37 37 18183 1 . LEU 38 38 18183 1 . ILE 39 39 18183 1 . ARG 40 40 18183 1 . GLU 41 41 18183 1 . ARG 42 42 18183 1 . PRO 43 43 18183 1 . ALA 44 44 18183 1 . GLU 45 45 18183 1 . ALA 46 46 18183 1 . GLU 47 47 18183 1 . ARG 48 48 18183 1 . PHE 49 49 18183 1 . ALA 50 50 18183 1 . ILE 51 51 18183 1 . SER 52 52 18183 1 . ILE 53 53 18183 1 . LYS 54 54 18183 1 . PHE 55 55 18183 1 . ASN 56 56 18183 1 . ASP 57 57 18183 1 . GLU 58 58 18183 1 . VAL 59 59 18183 1 . LYS 60 60 18183 1 . HIS 61 61 18183 1 . ILE 62 62 18183 1 . LYS 63 63 18183 1 . VAL 64 64 18183 1 . VAL 65 65 18183 1 . GLU 66 66 18183 1 . LYS 67 67 18183 1 . ASP 68 68 18183 1 . ASN 69 69 18183 1 . TRP 70 70 18183 1 . ILE 71 71 18183 1 . HIS 72 72 18183 1 . ILE 73 73 18183 1 . THR 74 74 18183 1 . GLU 75 75 18183 1 . ALA 76 76 18183 1 . LYS 77 77 18183 1 . LYS 78 78 18183 1 . PHE 79 79 18183 1 . ASP 80 80 18183 1 . SER 81 81 18183 1 . LEU 82 82 18183 1 . LEU 83 83 18183 1 . GLU 84 84 18183 1 . LEU 85 85 18183 1 . VAL 86 86 18183 1 . GLU 87 87 18183 1 . TYR 88 88 18183 1 . TYR 89 89 18183 1 . GLN 90 90 18183 1 . CYS 91 91 18183 1 . HIS 92 92 18183 1 . SER 93 93 18183 1 . LEU 94 94 18183 1 . LYS 95 95 18183 1 . GLU 96 96 18183 1 . SER 97 97 18183 1 . PHE 98 98 18183 1 . LYS 99 99 18183 1 . GLN 100 100 18183 1 . LEU 101 101 18183 1 . ASP 102 102 18183 1 . THR 103 103 18183 1 . THR 104 104 18183 1 . LEU 105 105 18183 1 . LYS 106 106 18183 1 . TYR 107 107 18183 1 . PRO 108 108 18183 1 . TYR 109 109 18183 1 . LYS 110 110 18183 1 . SER 111 111 18183 1 . ARG 112 112 18183 1 . GLU 113 113 18183 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 18183 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18183 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 18183 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 18183 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18183 _Sample.ID 1 _Sample.Name . _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 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 18183 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18183 1 3 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 18183 1 4 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18183 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18183 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18183 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18183 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18183 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18183 _Sample.ID 2 _Sample.Name . _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 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 18183 2 2 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 18183 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18183 2 4 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18183 2 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18183 2 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18183 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18183 2 stop_ save_ ####################### # Sample conditions # ####################### save_Sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_condition_1 _Sample_condition_list.Entry_ID 18183 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 18183 1 pH 6.2 . pH 18183 1 temperature 293 . K 18183 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18183 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18183 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18183 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18183 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18183 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18183 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18183 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18183 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 18183 3 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 18183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 18183 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 DMX . 600 . . . 18183 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 18183 _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_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18183 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 18183 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18183 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18183 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18183 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 18183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition_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 2 '3D CBCA(CO)NH' . . . 18183 1 3 '3D HNCACB' . . . 18183 1 4 '3D HNCO' . . . 18183 1 5 '3D HCACO' . . . 18183 1 6 '3D C(CO)NH' . . . 18183 1 7 '3D H(CCO)NH' . . . 18183 1 8 '3D HBHA(CO)NH' . . . 18183 1 9 '3D 1H-15N NOESY' . . . 18183 1 10 '3D HCCH-TOCSY' . . . 18183 1 11 '3D HCCH-COSY' . . . 18183 1 12 '3D 1H-13C NOESY' . . . 18183 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.357 0.002 . 1 . . . . A 659 SER HA . 18183 1 2 . 1 1 1 1 SER HB2 H 1 3.776 0.004 . 2 . . . . A 659 SER HB2 . 18183 1 3 . 1 1 1 1 SER HB3 H 1 3.776 0.004 . 2 . . . . A 659 SER HB3 . 18183 1 4 . 1 1 1 1 SER HG H 1 8.436 0.003 . 1 . . . . A 659 SER HG . 18183 1 5 . 1 1 1 1 SER CA C 13 58.384 0.054 . 1 . . . . A 659 SER CA . 18183 1 6 . 1 1 1 1 SER CB C 13 63.753 0.003 . 1 . . . . A 659 SER CB . 18183 1 7 . 1 1 1 1 SER N N 15 117.796 0.026 . 1 . . . . A 659 SER N . 18183 1 8 . 1 1 2 2 ARG H H 1 8.258 0.004 . 1 . . . . A 660 ARG H . 18183 1 9 . 1 1 2 2 ARG HA H 1 4.576 0.003 . 1 . . . . A 660 ARG HA . 18183 1 10 . 1 1 2 2 ARG HB2 H 1 1.747 0.000 . 2 . . . . A 660 ARG HB2 . 18183 1 11 . 1 1 2 2 ARG HB3 H 1 1.624 0.000 . 2 . . . . A 660 ARG HB3 . 18183 1 12 . 1 1 2 2 ARG HG2 H 1 1.563 0.004 . 2 . . . . A 660 ARG HG2 . 18183 1 13 . 1 1 2 2 ARG HG3 H 1 1.563 0.004 . 2 . . . . A 660 ARG HG3 . 18183 1 14 . 1 1 2 2 ARG HD2 H 1 3.077 0.002 . 2 . . . . A 660 ARG HD2 . 18183 1 15 . 1 1 2 2 ARG HD3 H 1 3.077 0.002 . 2 . . . . A 660 ARG HD3 . 18183 1 16 . 1 1 2 2 ARG HE H 1 7.167 0.000 . 1 . . . . A 660 ARG HE . 18183 1 17 . 1 1 2 2 ARG CA C 13 53.850 0.023 . 1 . . . . A 660 ARG CA . 18183 1 18 . 1 1 2 2 ARG CB C 13 30.347 0.000 . 1 . . . . A 660 ARG CB . 18183 1 19 . 1 1 2 2 ARG CD C 13 43.331 0.000 . 1 . . . . A 660 ARG CD . 18183 1 20 . 1 1 2 2 ARG N N 15 123.546 0.018 . 1 . . . . A 660 ARG N . 18183 1 21 . 1 1 3 3 PRO HD2 H 1 3.498 0.000 . 2 . . . . A 661 PRO HD2 . 18183 1 22 . 1 1 3 3 PRO HD3 H 1 3.719 0.000 . 2 . . . . A 661 PRO HD3 . 18183 1 23 . 1 1 4 4 PRO HA H 1 4.356 0.004 . 1 . . . . A 662 PRO HA . 18183 1 24 . 1 1 4 4 PRO HB2 H 1 1.859 0.004 . 2 . . . . A 662 PRO HB2 . 18183 1 25 . 1 1 4 4 PRO HB3 H 1 2.241 0.002 . 2 . . . . A 662 PRO HB3 . 18183 1 26 . 1 1 4 4 PRO HG2 H 1 1.950 0.004 . 2 . . . . A 662 PRO HG2 . 18183 1 27 . 1 1 4 4 PRO HG3 H 1 1.950 0.004 . 2 . . . . A 662 PRO HG3 . 18183 1 28 . 1 1 4 4 PRO HD2 H 1 3.573 0.003 . 2 . . . . A 662 PRO HD2 . 18183 1 29 . 1 1 4 4 PRO HD3 H 1 3.724 0.004 . 2 . . . . A 662 PRO HD3 . 18183 1 30 . 1 1 4 4 PRO C C 13 177.047 0.000 . 1 . . . . A 662 PRO C . 18183 1 31 . 1 1 4 4 PRO CA C 13 63.221 0.000 . 1 . . . . A 662 PRO CA . 18183 1 32 . 1 1 4 4 PRO CB C 13 31.975 0.015 . 1 . . . . A 662 PRO CB . 18183 1 33 . 1 1 5 5 SER H H 1 8.385 0.003 . 1 . . . . A 663 SER H . 18183 1 34 . 1 1 5 5 SER HA H 1 4.335 0.002 . 1 . . . . A 663 SER HA . 18183 1 35 . 1 1 5 5 SER HB2 H 1 3.821 0.009 . 2 . . . . A 663 SER HB2 . 18183 1 36 . 1 1 5 5 SER HB3 H 1 3.821 0.009 . 2 . . . . A 663 SER HB3 . 18183 1 37 . 1 1 5 5 SER C C 13 174.708 0.000 . 1 . . . . A 663 SER C . 18183 1 38 . 1 1 5 5 SER CA C 13 58.639 0.005 . 1 . . . . A 663 SER CA . 18183 1 39 . 1 1 5 5 SER CB C 13 63.849 0.110 . 1 . . . . A 663 SER CB . 18183 1 40 . 1 1 5 5 SER N N 15 116.108 0.020 . 1 . . . . A 663 SER N . 18183 1 41 . 1 1 6 6 ARG H H 1 8.347 0.002 . 1 . . . . A 664 ARG H . 18183 1 42 . 1 1 6 6 ARG HA H 1 4.319 0.006 . 1 . . . . A 664 ARG HA . 18183 1 43 . 1 1 6 6 ARG HB2 H 1 1.757 0.000 . 1 . . . . A 664 ARG HB2 . 18183 1 44 . 1 1 6 6 ARG HB3 H 1 1.809 0.008 . 1 . . . . A 664 ARG HB3 . 18183 1 45 . 1 1 6 6 ARG HG2 H 1 1.570 0.003 . 2 . . . . A 664 ARG HG2 . 18183 1 46 . 1 1 6 6 ARG HG3 H 1 1.725 0.000 . 2 . . . . A 664 ARG HG3 . 18183 1 47 . 1 1 6 6 ARG HD2 H 1 3.122 0.007 . 2 . . . . A 664 ARG HD2 . 18183 1 48 . 1 1 6 6 ARG HD3 H 1 3.122 0.007 . 2 . . . . A 664 ARG HD3 . 18183 1 49 . 1 1 6 6 ARG HE H 1 7.228 0.002 . 1 . . . . A 664 ARG HE . 18183 1 50 . 1 1 6 6 ARG C C 13 175.951 0.000 . 1 . . . . A 664 ARG C . 18183 1 51 . 1 1 6 6 ARG CA C 13 55.931 0.026 . 1 . . . . A 664 ARG CA . 18183 1 52 . 1 1 6 6 ARG CB C 13 30.832 0.000 . 1 . . . . A 664 ARG CB . 18183 1 53 . 1 1 6 6 ARG CG C 13 27.596 0.000 . 1 . . . . A 664 ARG CG . 18183 1 54 . 1 1 6 6 ARG CD C 13 43.273 0.000 . 1 . . . . A 664 ARG CD . 18183 1 55 . 1 1 6 6 ARG N N 15 122.132 0.006 . 1 . . . . A 664 ARG N . 18183 1 56 . 1 1 7 7 GLU H H 1 8.336 0.004 . 1 . . . . A 665 GLU H . 18183 1 57 . 1 1 7 7 GLU HA H 1 4.262 0.003 . 1 . . . . A 665 GLU HA . 18183 1 58 . 1 1 7 7 GLU HB2 H 1 1.832 0.007 . 2 . . . . A 665 GLU HB2 . 18183 1 59 . 1 1 7 7 GLU HB3 H 1 1.973 0.005 . 2 . . . . A 665 GLU HB3 . 18183 1 60 . 1 1 7 7 GLU HG2 H 1 2.190 0.005 . 2 . . . . A 665 GLU HG2 . 18183 1 61 . 1 1 7 7 GLU HG3 H 1 2.190 0.005 . 2 . . . . A 665 GLU HG3 . 18183 1 62 . 1 1 7 7 GLU C C 13 175.809 0.005 . 1 . . . . A 665 GLU C . 18183 1 63 . 1 1 7 7 GLU CA C 13 56.170 0.058 . 1 . . . . A 665 GLU CA . 18183 1 64 . 1 1 7 7 GLU CB C 13 29.908 0.062 . 1 . . . . A 665 GLU CB . 18183 1 65 . 1 1 7 7 GLU CG C 13 35.859 0.000 . 1 . . . . A 665 GLU CG . 18183 1 66 . 1 1 7 7 GLU N N 15 122.268 0.025 . 1 . . . . A 665 GLU N . 18183 1 67 . 1 1 8 8 ILE H H 1 7.920 0.004 . 1 . . . . A 666 ILE H . 18183 1 68 . 1 1 8 8 ILE HA H 1 3.780 0.004 . 1 . . . . A 666 ILE HA . 18183 1 69 . 1 1 8 8 ILE HB H 1 1.368 0.003 . 1 . . . . A 666 ILE HB . 18183 1 70 . 1 1 8 8 ILE HG12 H 1 0.901 0.005 . 2 . . . . A 666 ILE HG12 . 18183 1 71 . 1 1 8 8 ILE HG13 H 1 1.316 0.002 . 2 . . . . A 666 ILE HG13 . 18183 1 72 . 1 1 8 8 ILE HG21 H 1 0.227 0.003 . 1 . . . . A 666 ILE HG21 . 18183 1 73 . 1 1 8 8 ILE HG22 H 1 0.227 0.003 . 1 . . . . A 666 ILE HG22 . 18183 1 74 . 1 1 8 8 ILE HG23 H 1 0.227 0.003 . 1 . . . . A 666 ILE HG23 . 18183 1 75 . 1 1 8 8 ILE HD11 H 1 0.785 0.007 . 1 . . . . A 666 ILE HD11 . 18183 1 76 . 1 1 8 8 ILE HD12 H 1 0.785 0.007 . 1 . . . . A 666 ILE HD12 . 18183 1 77 . 1 1 8 8 ILE HD13 H 1 0.785 0.007 . 1 . . . . A 666 ILE HD13 . 18183 1 78 . 1 1 8 8 ILE C C 13 174.325 0.016 . 1 . . . . A 666 ILE C . 18183 1 79 . 1 1 8 8 ILE CA C 13 60.809 0.052 . 1 . . . . A 666 ILE CA . 18183 1 80 . 1 1 8 8 ILE CB C 13 39.233 0.087 . 1 . . . . A 666 ILE CB . 18183 1 81 . 1 1 8 8 ILE CG1 C 13 26.986 0.000 . 1 . . . . A 666 ILE CG1 . 18183 1 82 . 1 1 8 8 ILE CG2 C 13 17.017 0.000 . 1 . . . . A 666 ILE CG2 . 18183 1 83 . 1 1 8 8 ILE CD1 C 13 13.079 0.000 . 1 . . . . A 666 ILE CD1 . 18183 1 84 . 1 1 8 8 ILE N N 15 123.984 0.049 . 1 . . . . A 666 ILE N . 18183 1 85 . 1 1 9 9 ASP H H 1 8.072 0.004 . 1 . . . . A 667 ASP H . 18183 1 86 . 1 1 9 9 ASP HA H 1 4.568 0.004 . 1 . . . . A 667 ASP HA . 18183 1 87 . 1 1 9 9 ASP HB2 H 1 2.458 0.004 . 2 . . . . A 667 ASP HB2 . 18183 1 88 . 1 1 9 9 ASP HB3 H 1 2.678 0.003 . 2 . . . . A 667 ASP HB3 . 18183 1 89 . 1 1 9 9 ASP C C 13 177.001 0.006 . 1 . . . . A 667 ASP C . 18183 1 90 . 1 1 9 9 ASP CA C 13 51.991 0.070 . 1 . . . . A 667 ASP CA . 18183 1 91 . 1 1 9 9 ASP CB C 13 40.310 0.050 . 1 . . . . A 667 ASP CB . 18183 1 92 . 1 1 9 9 ASP N N 15 124.228 0.023 . 1 . . . . A 667 ASP N . 18183 1 93 . 1 1 10 10 TYR H H 1 8.493 0.004 . 1 . . . . A 668 TYR H . 18183 1 94 . 1 1 10 10 TYR HA H 1 4.128 0.004 . 1 . . . . A 668 TYR HA . 18183 1 95 . 1 1 10 10 TYR HB2 H 1 1.264 0.004 . 2 . . . . A 668 TYR HB2 . 18183 1 96 . 1 1 10 10 TYR HB3 H 1 2.104 0.006 . 2 . . . . A 668 TYR HB3 . 18183 1 97 . 1 1 10 10 TYR HD1 H 1 6.798 0.003 . 3 . . . . A 668 TYR HD1 . 18183 1 98 . 1 1 10 10 TYR HD2 H 1 6.798 0.003 . 3 . . . . A 668 TYR HD2 . 18183 1 99 . 1 1 10 10 TYR HE1 H 1 6.621 0.006 . 3 . . . . A 668 TYR HE1 . 18183 1 100 . 1 1 10 10 TYR HE2 H 1 6.621 0.006 . 3 . . . . A 668 TYR HE2 . 18183 1 101 . 1 1 10 10 TYR C C 13 175.901 0.000 . 1 . . . . A 668 TYR C . 18183 1 102 . 1 1 10 10 TYR CA C 13 60.557 0.036 . 1 . . . . A 668 TYR CA . 18183 1 103 . 1 1 10 10 TYR CB C 13 36.166 0.027 . 1 . . . . A 668 TYR CB . 18183 1 104 . 1 1 10 10 TYR N N 15 125.329 0.041 . 1 . . . . A 668 TYR N . 18183 1 105 . 1 1 11 11 THR H H 1 7.948 0.005 . 1 . . . . A 669 THR H . 18183 1 106 . 1 1 11 11 THR HA H 1 4.082 0.005 . 1 . . . . A 669 THR HA . 18183 1 107 . 1 1 11 11 THR HB H 1 4.242 0.005 . 1 . . . . A 669 THR HB . 18183 1 108 . 1 1 11 11 THR HG21 H 1 1.355 0.002 . 1 . . . . A 669 THR HG21 . 18183 1 109 . 1 1 11 11 THR HG22 H 1 1.355 0.002 . 1 . . . . A 669 THR HG22 . 18183 1 110 . 1 1 11 11 THR HG23 H 1 1.355 0.002 . 1 . . . . A 669 THR HG23 . 18183 1 111 . 1 1 11 11 THR C C 13 175.170 0.000 . 1 . . . . A 669 THR C . 18183 1 112 . 1 1 11 11 THR CA C 13 64.701 0.026 . 1 . . . . A 669 THR CA . 18183 1 113 . 1 1 11 11 THR CB C 13 68.924 0.075 . 1 . . . . A 669 THR CB . 18183 1 114 . 1 1 11 11 THR CG2 C 13 22.029 0.000 . 1 . . . . A 669 THR CG2 . 18183 1 115 . 1 1 11 11 THR N N 15 108.533 0.033 . 1 . . . . A 669 THR N . 18183 1 116 . 1 1 12 12 ALA H H 1 7.366 0.006 . 1 . . . . A 670 ALA H . 18183 1 117 . 1 1 12 12 ALA HA H 1 4.023 0.006 . 1 . . . . A 670 ALA HA . 18183 1 118 . 1 1 12 12 ALA HB1 H 1 0.924 0.006 . 1 . . . . A 670 ALA HB1 . 18183 1 119 . 1 1 12 12 ALA HB2 H 1 0.924 0.006 . 1 . . . . A 670 ALA HB2 . 18183 1 120 . 1 1 12 12 ALA HB3 H 1 0.924 0.006 . 1 . . . . A 670 ALA HB3 . 18183 1 121 . 1 1 12 12 ALA C C 13 177.747 0.010 . 1 . . . . A 670 ALA C . 18183 1 122 . 1 1 12 12 ALA CA C 13 52.499 0.039 . 1 . . . . A 670 ALA CA . 18183 1 123 . 1 1 12 12 ALA CB C 13 19.227 0.023 . 1 . . . . A 670 ALA CB . 18183 1 124 . 1 1 12 12 ALA N N 15 121.252 0.034 . 1 . . . . A 670 ALA N . 18183 1 125 . 1 1 13 13 TYR H H 1 7.490 0.006 . 1 . . . . A 671 TYR H . 18183 1 126 . 1 1 13 13 TYR HA H 1 4.252 0.003 . 1 . . . . A 671 TYR HA . 18183 1 127 . 1 1 13 13 TYR HB2 H 1 1.588 0.004 . 2 . . . . A 671 TYR HB2 . 18183 1 128 . 1 1 13 13 TYR HB3 H 1 1.588 0.004 . 2 . . . . A 671 TYR HB3 . 18183 1 129 . 1 1 13 13 TYR HD1 H 1 6.968 0.004 . 3 . . . . A 671 TYR HD1 . 18183 1 130 . 1 1 13 13 TYR HD2 H 1 6.968 0.004 . 3 . . . . A 671 TYR HD2 . 18183 1 131 . 1 1 13 13 TYR HE1 H 1 6.660 0.005 . 3 . . . . A 671 TYR HE1 . 18183 1 132 . 1 1 13 13 TYR HE2 H 1 6.660 0.005 . 3 . . . . A 671 TYR HE2 . 18183 1 133 . 1 1 13 13 TYR C C 13 176.545 0.000 . 1 . . . . A 671 TYR C . 18183 1 134 . 1 1 13 13 TYR CA C 13 56.472 0.000 . 1 . . . . A 671 TYR CA . 18183 1 135 . 1 1 13 13 TYR CB C 13 36.559 0.000 . 1 . . . . A 671 TYR CB . 18183 1 136 . 1 1 13 13 TYR N N 15 117.895 0.011 . 1 . . . . A 671 TYR N . 18183 1 137 . 1 1 14 14 PRO HA H 1 4.300 0.011 . 1 . . . . A 672 PRO HA . 18183 1 138 . 1 1 14 14 PRO HB2 H 1 1.919 0.000 . 2 . . . . A 672 PRO HB2 . 18183 1 139 . 1 1 14 14 PRO HB3 H 1 2.147 0.002 . 2 . . . . A 672 PRO HB3 . 18183 1 140 . 1 1 14 14 PRO HG2 H 1 1.413 0.000 . 2 . . . . A 672 PRO HG2 . 18183 1 141 . 1 1 14 14 PRO HG3 H 1 1.413 0.000 . 2 . . . . A 672 PRO HG3 . 18183 1 142 . 1 1 14 14 PRO HD2 H 1 3.753 0.000 . 2 . . . . A 672 PRO HD2 . 18183 1 143 . 1 1 14 14 PRO HD3 H 1 3.753 0.000 . 2 . . . . A 672 PRO HD3 . 18183 1 144 . 1 1 14 14 PRO C C 13 173.638 0.003 . 1 . . . . A 672 PRO C . 18183 1 145 . 1 1 14 14 PRO CA C 13 63.751 0.000 . 1 . . . . A 672 PRO CA . 18183 1 146 . 1 1 14 14 PRO CB C 13 31.244 0.000 . 1 . . . . A 672 PRO CB . 18183 1 147 . 1 1 14 14 PRO CG C 13 26.931 0.000 . 1 . . . . A 672 PRO CG . 18183 1 148 . 1 1 14 14 PRO CD C 13 50.540 0.000 . 1 . . . . A 672 PRO CD . 18183 1 149 . 1 1 15 15 TRP H H 1 6.184 0.004 . 1 . . . . A 673 TRP H . 18183 1 150 . 1 1 15 15 TRP HA H 1 4.706 0.009 . 1 . . . . A 673 TRP HA . 18183 1 151 . 1 1 15 15 TRP HB2 H 1 2.690 0.002 . 2 . . . . A 673 TRP HB2 . 18183 1 152 . 1 1 15 15 TRP HB3 H 1 3.685 0.008 . 2 . . . . A 673 TRP HB3 . 18183 1 153 . 1 1 15 15 TRP HD1 H 1 7.285 0.001 . 1 . . . . A 673 TRP HD1 . 18183 1 154 . 1 1 15 15 TRP HE1 H 1 9.587 0.000 . 1 . . . . A 673 TRP HE1 . 18183 1 155 . 1 1 15 15 TRP HE3 H 1 5.929 0.003 . 1 . . . . A 673 TRP HE3 . 18183 1 156 . 1 1 15 15 TRP HZ3 H 1 6.447 0.001 . 1 . . . . A 673 TRP HZ3 . 18183 1 157 . 1 1 15 15 TRP C C 13 175.471 0.000 . 1 . . . . A 673 TRP C . 18183 1 158 . 1 1 15 15 TRP CA C 13 52.850 0.085 . 1 . . . . A 673 TRP CA . 18183 1 159 . 1 1 15 15 TRP CB C 13 32.436 0.052 . 1 . . . . A 673 TRP CB . 18183 1 160 . 1 1 15 15 TRP N N 15 109.940 0.041 . 1 . . . . A 673 TRP N . 18183 1 161 . 1 1 16 16 PHE H H 1 7.585 0.005 . 1 . . . . A 674 PHE H . 18183 1 162 . 1 1 16 16 PHE HA H 1 5.101 0.008 . 1 . . . . A 674 PHE HA . 18183 1 163 . 1 1 16 16 PHE HB2 H 1 2.595 0.007 . 2 . . . . A 674 PHE HB2 . 18183 1 164 . 1 1 16 16 PHE HB3 H 1 3.141 0.006 . 2 . . . . A 674 PHE HB3 . 18183 1 165 . 1 1 16 16 PHE HD1 H 1 7.140 0.004 . 3 . . . . A 674 PHE HD1 . 18183 1 166 . 1 1 16 16 PHE HD2 H 1 7.140 0.004 . 3 . . . . A 674 PHE HD2 . 18183 1 167 . 1 1 16 16 PHE HE1 H 1 7.388 0.006 . 3 . . . . A 674 PHE HE1 . 18183 1 168 . 1 1 16 16 PHE HE2 H 1 7.388 0.006 . 3 . . . . A 674 PHE HE2 . 18183 1 169 . 1 1 16 16 PHE HZ H 1 7.772 0.001 . 1 . . . . A 674 PHE HZ . 18183 1 170 . 1 1 16 16 PHE C C 13 174.684 0.000 . 1 . . . . A 674 PHE C . 18183 1 171 . 1 1 16 16 PHE CA C 13 59.566 0.057 . 1 . . . . A 674 PHE CA . 18183 1 172 . 1 1 16 16 PHE CB C 13 39.968 0.027 . 1 . . . . A 674 PHE CB . 18183 1 173 . 1 1 16 16 PHE N N 15 123.228 0.021 . 1 . . . . A 674 PHE N . 18183 1 174 . 1 1 17 17 ALA H H 1 9.004 0.002 . 1 . . . . A 675 ALA H . 18183 1 175 . 1 1 17 17 ALA HA H 1 4.842 0.008 . 1 . . . . A 675 ALA HA . 18183 1 176 . 1 1 17 17 ALA HB1 H 1 1.157 0.004 . 1 . . . . A 675 ALA HB1 . 18183 1 177 . 1 1 17 17 ALA HB2 H 1 1.157 0.004 . 1 . . . . A 675 ALA HB2 . 18183 1 178 . 1 1 17 17 ALA HB3 H 1 1.157 0.004 . 1 . . . . A 675 ALA HB3 . 18183 1 179 . 1 1 17 17 ALA C C 13 177.161 0.000 . 1 . . . . A 675 ALA C . 18183 1 180 . 1 1 17 17 ALA CA C 13 51.168 0.000 . 1 . . . . A 675 ALA CA . 18183 1 181 . 1 1 17 17 ALA CB C 13 21.968 0.000 . 1 . . . . A 675 ALA CB . 18183 1 182 . 1 1 17 17 ALA N N 15 130.573 0.043 . 1 . . . . A 675 ALA N . 18183 1 183 . 1 1 18 18 GLY HA2 H 1 3.431 0.007 . 2 . . . . A 676 GLY HA2 . 18183 1 184 . 1 1 18 18 GLY HA3 H 1 3.796 0.003 . 2 . . . . A 676 GLY HA3 . 18183 1 185 . 1 1 18 18 GLY C C 13 174.000 0.008 . 1 . . . . A 676 GLY C . 18183 1 186 . 1 1 18 18 GLY CA C 13 46.490 0.037 . 1 . . . . A 676 GLY CA . 18183 1 187 . 1 1 19 19 ASN H H 1 8.657 0.005 . 1 . . . . A 677 ASN H . 18183 1 188 . 1 1 19 19 ASN HA H 1 5.006 0.004 . 1 . . . . A 677 ASN HA . 18183 1 189 . 1 1 19 19 ASN HB2 H 1 2.720 0.000 . 2 . . . . A 677 ASN HB2 . 18183 1 190 . 1 1 19 19 ASN HB3 H 1 2.769 0.000 . 2 . . . . A 677 ASN HB3 . 18183 1 191 . 1 1 19 19 ASN HD21 H 1 7.433 0.007 . 2 . . . . A 677 ASN HD21 . 18183 1 192 . 1 1 19 19 ASN HD22 H 1 6.753 0.003 . 2 . . . . A 677 ASN HD22 . 18183 1 193 . 1 1 19 19 ASN C C 13 174.916 0.013 . 1 . . . . A 677 ASN C . 18183 1 194 . 1 1 19 19 ASN CA C 13 52.605 0.086 . 1 . . . . A 677 ASN CA . 18183 1 195 . 1 1 19 19 ASN CB C 13 37.065 0.011 . 1 . . . . A 677 ASN CB . 18183 1 196 . 1 1 19 19 ASN N N 15 124.182 0.025 . 1 . . . . A 677 ASN N . 18183 1 197 . 1 1 19 19 ASN ND2 N 15 110.380 0.000 . 1 . . . . A 677 ASN ND2 . 18183 1 198 . 1 1 20 20 MET H H 1 7.158 0.004 . 1 . . . . A 678 MET H . 18183 1 199 . 1 1 20 20 MET HA H 1 4.173 0.006 . 1 . . . . A 678 MET HA . 18183 1 200 . 1 1 20 20 MET HB2 H 1 1.450 0.006 . 2 . . . . A 678 MET HB2 . 18183 1 201 . 1 1 20 20 MET HB3 H 1 1.814 0.005 . 2 . . . . A 678 MET HB3 . 18183 1 202 . 1 1 20 20 MET HG2 H 1 2.341 0.002 . 2 . . . . A 678 MET HG2 . 18183 1 203 . 1 1 20 20 MET HG3 H 1 2.341 0.002 . 2 . . . . A 678 MET HG3 . 18183 1 204 . 1 1 20 20 MET HE1 H 1 1.859 0.001 . 1 . . . . A 678 MET HE1 . 18183 1 205 . 1 1 20 20 MET HE2 H 1 1.859 0.001 . 1 . . . . A 678 MET HE2 . 18183 1 206 . 1 1 20 20 MET HE3 H 1 1.859 0.001 . 1 . . . . A 678 MET HE3 . 18183 1 207 . 1 1 20 20 MET C C 13 175.317 0.007 . 1 . . . . A 678 MET C . 18183 1 208 . 1 1 20 20 MET CA C 13 56.274 0.053 . 1 . . . . A 678 MET CA . 18183 1 209 . 1 1 20 20 MET CB C 13 35.581 0.038 . 1 . . . . A 678 MET CB . 18183 1 210 . 1 1 20 20 MET CG C 13 31.425 0.000 . 1 . . . . A 678 MET CG . 18183 1 211 . 1 1 20 20 MET CE C 13 16.861 0.000 . 1 . . . . A 678 MET CE . 18183 1 212 . 1 1 20 20 MET N N 15 122.806 0.040 . 1 . . . . A 678 MET N . 18183 1 213 . 1 1 21 21 GLU H H 1 8.687 0.004 . 1 . . . . A 679 GLU H . 18183 1 214 . 1 1 21 21 GLU HA H 1 4.201 0.007 . 1 . . . . A 679 GLU HA . 18183 1 215 . 1 1 21 21 GLU HB2 H 1 1.971 0.005 . 2 . . . . A 679 GLU HB2 . 18183 1 216 . 1 1 21 21 GLU HB3 H 1 2.262 0.005 . 2 . . . . A 679 GLU HB3 . 18183 1 217 . 1 1 21 21 GLU HG2 H 1 2.348 0.000 . 2 . . . . A 679 GLU HG2 . 18183 1 218 . 1 1 21 21 GLU HG3 H 1 2.348 0.000 . 2 . . . . A 679 GLU HG3 . 18183 1 219 . 1 1 21 21 GLU C C 13 178.105 0.014 . 1 . . . . A 679 GLU C . 18183 1 220 . 1 1 21 21 GLU CA C 13 56.016 0.077 . 1 . . . . A 679 GLU CA . 18183 1 221 . 1 1 21 21 GLU CB C 13 30.890 0.009 . 1 . . . . A 679 GLU CB . 18183 1 222 . 1 1 21 21 GLU CG C 13 36.457 0.000 . 1 . . . . A 679 GLU CG . 18183 1 223 . 1 1 21 21 GLU N N 15 124.655 0.029 . 1 . . . . A 679 GLU N . 18183 1 224 . 1 1 22 22 ARG H H 1 9.191 0.003 . 1 . . . . A 680 ARG H . 18183 1 225 . 1 1 22 22 ARG HA H 1 3.280 0.005 . 1 . . . . A 680 ARG HA . 18183 1 226 . 1 1 22 22 ARG HB2 H 1 1.556 0.008 . 2 . . . . A 680 ARG HB2 . 18183 1 227 . 1 1 22 22 ARG HB3 H 1 1.692 0.008 . 2 . . . . A 680 ARG HB3 . 18183 1 228 . 1 1 22 22 ARG HG2 H 1 0.560 0.007 . 2 . . . . A 680 ARG HG2 . 18183 1 229 . 1 1 22 22 ARG HG3 H 1 1.022 0.006 . 2 . . . . A 680 ARG HG3 . 18183 1 230 . 1 1 22 22 ARG HD2 H 1 2.719 0.000 . 2 . . . . A 680 ARG HD2 . 18183 1 231 . 1 1 22 22 ARG HD3 H 1 2.789 0.000 . 2 . . . . A 680 ARG HD3 . 18183 1 232 . 1 1 22 22 ARG HE H 1 7.526 0.001 . 1 . . . . A 680 ARG HE . 18183 1 233 . 1 1 22 22 ARG C C 13 177.559 0.006 . 1 . . . . A 680 ARG C . 18183 1 234 . 1 1 22 22 ARG CA C 13 61.054 0.048 . 1 . . . . A 680 ARG CA . 18183 1 235 . 1 1 22 22 ARG CB C 13 29.868 0.000 . 1 . . . . A 680 ARG CB . 18183 1 236 . 1 1 22 22 ARG CG C 13 26.313 0.000 . 1 . . . . A 680 ARG CG . 18183 1 237 . 1 1 22 22 ARG CD C 13 42.694 0.000 . 1 . . . . A 680 ARG CD . 18183 1 238 . 1 1 22 22 ARG N N 15 125.764 0.031 . 1 . . . . A 680 ARG N . 18183 1 239 . 1 1 23 23 GLN H H 1 9.085 0.005 . 1 . . . . A 681 GLN H . 18183 1 240 . 1 1 23 23 GLN HA H 1 3.993 0.007 . 1 . . . . A 681 GLN HA . 18183 1 241 . 1 1 23 23 GLN HB2 H 1 1.972 0.000 . 2 . . . . A 681 GLN HB2 . 18183 1 242 . 1 1 23 23 GLN HB3 H 1 2.080 0.004 . 2 . . . . A 681 GLN HB3 . 18183 1 243 . 1 1 23 23 GLN HG2 H 1 2.316 0.007 . 2 . . . . A 681 GLN HG2 . 18183 1 244 . 1 1 23 23 GLN HG3 H 1 2.316 0.007 . 2 . . . . A 681 GLN HG3 . 18183 1 245 . 1 1 23 23 GLN HE21 H 1 7.482 0.000 . 2 . . . . A 681 GLN HE21 . 18183 1 246 . 1 1 23 23 GLN HE22 H 1 6.962 0.002 . 2 . . . . A 681 GLN HE22 . 18183 1 247 . 1 1 23 23 GLN C C 13 178.252 0.009 . 1 . . . . A 681 GLN C . 18183 1 248 . 1 1 23 23 GLN CA C 13 59.599 0.025 . 1 . . . . A 681 GLN CA . 18183 1 249 . 1 1 23 23 GLN CB C 13 27.765 0.023 . 1 . . . . A 681 GLN CB . 18183 1 250 . 1 1 23 23 GLN CG C 13 33.534 0.000 . 1 . . . . A 681 GLN CG . 18183 1 251 . 1 1 23 23 GLN N N 15 118.109 0.051 . 1 . . . . A 681 GLN N . 18183 1 252 . 1 1 23 23 GLN NE2 N 15 113.237 0.022 . 1 . . . . A 681 GLN NE2 . 18183 1 253 . 1 1 24 24 GLN H H 1 7.287 0.005 . 1 . . . . A 682 GLN H . 18183 1 254 . 1 1 24 24 GLN HA H 1 4.051 0.007 . 1 . . . . A 682 GLN HA . 18183 1 255 . 1 1 24 24 GLN HB2 H 1 1.953 0.005 . 2 . . . . A 682 GLN HB2 . 18183 1 256 . 1 1 24 24 GLN HB3 H 1 2.092 0.004 . 2 . . . . A 682 GLN HB3 . 18183 1 257 . 1 1 24 24 GLN HG2 H 1 2.446 0.006 . 2 . . . . A 682 GLN HG2 . 18183 1 258 . 1 1 24 24 GLN HG3 H 1 2.446 0.006 . 2 . . . . A 682 GLN HG3 . 18183 1 259 . 1 1 24 24 GLN HE21 H 1 7.495 0.000 . 2 . . . . A 682 GLN HE21 . 18183 1 260 . 1 1 24 24 GLN HE22 H 1 6.940 0.000 . 2 . . . . A 682 GLN HE22 . 18183 1 261 . 1 1 24 24 GLN C C 13 178.328 0.020 . 1 . . . . A 682 GLN C . 18183 1 262 . 1 1 24 24 GLN CA C 13 58.765 0.068 . 1 . . . . A 682 GLN CA . 18183 1 263 . 1 1 24 24 GLN CB C 13 28.232 0.086 . 1 . . . . A 682 GLN CB . 18183 1 264 . 1 1 24 24 GLN N N 15 118.128 0.015 . 1 . . . . A 682 GLN N . 18183 1 265 . 1 1 24 24 GLN NE2 N 15 111.793 0.015 . 1 . . . . A 682 GLN NE2 . 18183 1 266 . 1 1 25 25 THR H H 1 7.813 0.005 . 1 . . . . A 683 THR H . 18183 1 267 . 1 1 25 25 THR HA H 1 3.641 0.004 . 1 . . . . A 683 THR HA . 18183 1 268 . 1 1 25 25 THR HB H 1 4.259 0.008 . 1 . . . . A 683 THR HB . 18183 1 269 . 1 1 25 25 THR HG21 H 1 1.149 0.007 . 1 . . . . A 683 THR HG21 . 18183 1 270 . 1 1 25 25 THR HG22 H 1 1.149 0.007 . 1 . . . . A 683 THR HG22 . 18183 1 271 . 1 1 25 25 THR HG23 H 1 1.149 0.007 . 1 . . . . A 683 THR HG23 . 18183 1 272 . 1 1 25 25 THR CA C 13 67.504 0.000 . 1 . . . . A 683 THR CA . 18183 1 273 . 1 1 25 25 THR CB C 13 67.667 0.021 . 1 . . . . A 683 THR CB . 18183 1 274 . 1 1 25 25 THR CG2 C 13 22.953 0.000 . 1 . . . . A 683 THR CG2 . 18183 1 275 . 1 1 25 25 THR N N 15 116.436 0.060 . 1 . . . . A 683 THR N . 18183 1 276 . 1 1 26 26 ASP H H 1 8.384 0.003 . 1 . . . . A 684 ASP H . 18183 1 277 . 1 1 26 26 ASP HA H 1 4.228 0.009 . 1 . . . . A 684 ASP HA . 18183 1 278 . 1 1 26 26 ASP HB2 H 1 2.549 0.007 . 2 . . . . A 684 ASP HB2 . 18183 1 279 . 1 1 26 26 ASP HB3 H 1 2.758 0.006 . 2 . . . . A 684 ASP HB3 . 18183 1 280 . 1 1 26 26 ASP C C 13 178.426 0.001 . 1 . . . . A 684 ASP C . 18183 1 281 . 1 1 26 26 ASP CA C 13 58.020 0.057 . 1 . . . . A 684 ASP CA . 18183 1 282 . 1 1 26 26 ASP CB C 13 39.826 0.036 . 1 . . . . A 684 ASP CB . 18183 1 283 . 1 1 26 26 ASP N N 15 123.084 0.059 . 1 . . . . A 684 ASP N . 18183 1 284 . 1 1 27 27 ASN H H 1 7.667 0.003 . 1 . . . . A 685 ASN H . 18183 1 285 . 1 1 27 27 ASN HA H 1 4.319 0.007 . 1 . . . . A 685 ASN HA . 18183 1 286 . 1 1 27 27 ASN HB2 H 1 2.789 0.004 . 2 . . . . A 685 ASN HB2 . 18183 1 287 . 1 1 27 27 ASN HB3 H 1 2.789 0.004 . 2 . . . . A 685 ASN HB3 . 18183 1 288 . 1 1 27 27 ASN HD21 H 1 7.614 0.002 . 2 . . . . A 685 ASN HD21 . 18183 1 289 . 1 1 27 27 ASN HD22 H 1 7.009 0.001 . 2 . . . . A 685 ASN HD22 . 18183 1 290 . 1 1 27 27 ASN C C 13 177.207 0.016 . 1 . . . . A 685 ASN C . 18183 1 291 . 1 1 27 27 ASN CA C 13 55.747 0.057 . 1 . . . . A 685 ASN CA . 18183 1 292 . 1 1 27 27 ASN CB C 13 38.197 0.025 . 1 . . . . A 685 ASN CB . 18183 1 293 . 1 1 27 27 ASN N N 15 116.068 0.033 . 1 . . . . A 685 ASN N . 18183 1 294 . 1 1 27 27 ASN ND2 N 15 112.531 0.015 . 1 . . . . A 685 ASN ND2 . 18183 1 295 . 1 1 28 28 LEU H H 1 7.993 0.005 . 1 . . . . A 686 LEU H . 18183 1 296 . 1 1 28 28 LEU HA H 1 4.169 0.005 . 1 . . . . A 686 LEU HA . 18183 1 297 . 1 1 28 28 LEU HB2 H 1 1.535 0.007 . 2 . . . . A 686 LEU HB2 . 18183 1 298 . 1 1 28 28 LEU HB3 H 1 1.723 0.004 . 2 . . . . A 686 LEU HB3 . 18183 1 299 . 1 1 28 28 LEU HG H 1 1.639 0.004 . 1 . . . . A 686 LEU HG . 18183 1 300 . 1 1 28 28 LEU HD11 H 1 0.856 0.003 . 2 . . . . A 686 LEU HD11 . 18183 1 301 . 1 1 28 28 LEU HD12 H 1 0.856 0.003 . 2 . . . . A 686 LEU HD12 . 18183 1 302 . 1 1 28 28 LEU HD13 H 1 0.856 0.003 . 2 . . . . A 686 LEU HD13 . 18183 1 303 . 1 1 28 28 LEU HD21 H 1 0.718 0.002 . 2 . . . . A 686 LEU HD21 . 18183 1 304 . 1 1 28 28 LEU HD22 H 1 0.718 0.002 . 2 . . . . A 686 LEU HD22 . 18183 1 305 . 1 1 28 28 LEU HD23 H 1 0.718 0.002 . 2 . . . . A 686 LEU HD23 . 18183 1 306 . 1 1 28 28 LEU C C 13 179.394 0.017 . 1 . . . . A 686 LEU C . 18183 1 307 . 1 1 28 28 LEU CA C 13 57.821 0.027 . 1 . . . . A 686 LEU CA . 18183 1 308 . 1 1 28 28 LEU CB C 13 42.692 0.090 . 1 . . . . A 686 LEU CB . 18183 1 309 . 1 1 28 28 LEU CG C 13 27.088 0.204 . 1 . . . . A 686 LEU CG . 18183 1 310 . 1 1 28 28 LEU CD1 C 13 25.288 0.000 . 2 . . . . A 686 LEU CD1 . 18183 1 311 . 1 1 28 28 LEU CD2 C 13 24.626 0.000 . 2 . . . . A 686 LEU CD2 . 18183 1 312 . 1 1 28 28 LEU N N 15 120.906 0.013 . 1 . . . . A 686 LEU N . 18183 1 313 . 1 1 29 29 LEU H H 1 8.166 0.006 . 1 . . . . A 687 LEU H . 18183 1 314 . 1 1 29 29 LEU HA H 1 4.051 0.007 . 1 . . . . A 687 LEU HA . 18183 1 315 . 1 1 29 29 LEU HB2 H 1 1.198 0.005 . 2 . . . . A 687 LEU HB2 . 18183 1 316 . 1 1 29 29 LEU HB3 H 1 1.198 0.005 . 2 . . . . A 687 LEU HB3 . 18183 1 317 . 1 1 29 29 LEU HG H 1 1.559 0.002 . 1 . . . . A 687 LEU HG . 18183 1 318 . 1 1 29 29 LEU HD11 H 1 0.508 0.003 . 2 . . . . A 687 LEU HD11 . 18183 1 319 . 1 1 29 29 LEU HD12 H 1 0.508 0.003 . 2 . . . . A 687 LEU HD12 . 18183 1 320 . 1 1 29 29 LEU HD13 H 1 0.508 0.003 . 2 . . . . A 687 LEU HD13 . 18183 1 321 . 1 1 29 29 LEU HD21 H 1 0.448 0.000 . 2 . . . . A 687 LEU HD21 . 18183 1 322 . 1 1 29 29 LEU HD22 H 1 0.448 0.000 . 2 . . . . A 687 LEU HD22 . 18183 1 323 . 1 1 29 29 LEU HD23 H 1 0.448 0.000 . 2 . . . . A 687 LEU HD23 . 18183 1 324 . 1 1 29 29 LEU C C 13 178.742 0.004 . 1 . . . . A 687 LEU C . 18183 1 325 . 1 1 29 29 LEU CA C 13 56.437 0.122 . 1 . . . . A 687 LEU CA . 18183 1 326 . 1 1 29 29 LEU CB C 13 42.842 0.136 . 1 . . . . A 687 LEU CB . 18183 1 327 . 1 1 29 29 LEU CG C 13 26.339 0.000 . 1 . . . . A 687 LEU CG . 18183 1 328 . 1 1 29 29 LEU CD1 C 13 22.783 0.000 . 2 . . . . A 687 LEU CD1 . 18183 1 329 . 1 1 29 29 LEU CD2 C 13 22.783 0.000 . 2 . . . . A 687 LEU CD2 . 18183 1 330 . 1 1 29 29 LEU N N 15 114.941 0.041 . 1 . . . . A 687 LEU N . 18183 1 331 . 1 1 30 30 LYS H H 1 7.635 0.004 . 1 . . . . A 688 LYS H . 18183 1 332 . 1 1 30 30 LYS HA H 1 3.713 0.004 . 1 . . . . A 688 LYS HA . 18183 1 333 . 1 1 30 30 LYS HB2 H 1 1.861 0.007 . 2 . . . . A 688 LYS HB2 . 18183 1 334 . 1 1 30 30 LYS HB3 H 1 2.016 0.005 . 2 . . . . A 688 LYS HB3 . 18183 1 335 . 1 1 30 30 LYS HG2 H 1 1.453 0.008 . 2 . . . . A 688 LYS HG2 . 18183 1 336 . 1 1 30 30 LYS HG3 H 1 1.453 0.008 . 2 . . . . A 688 LYS HG3 . 18183 1 337 . 1 1 30 30 LYS HD2 H 1 1.644 0.006 . 2 . . . . A 688 LYS HD2 . 18183 1 338 . 1 1 30 30 LYS HD3 H 1 1.644 0.006 . 2 . . . . A 688 LYS HD3 . 18183 1 339 . 1 1 30 30 LYS HE2 H 1 2.931 0.006 . 2 . . . . A 688 LYS HE2 . 18183 1 340 . 1 1 30 30 LYS HE3 H 1 2.931 0.006 . 2 . . . . A 688 LYS HE3 . 18183 1 341 . 1 1 30 30 LYS C C 13 177.260 0.014 . 1 . . . . A 688 LYS C . 18183 1 342 . 1 1 30 30 LYS CA C 13 60.478 0.061 . 1 . . . . A 688 LYS CA . 18183 1 343 . 1 1 30 30 LYS CB C 13 32.084 0.056 . 1 . . . . A 688 LYS CB . 18183 1 344 . 1 1 30 30 LYS CG C 13 24.489 0.000 . 1 . . . . A 688 LYS CG . 18183 1 345 . 1 1 30 30 LYS CD C 13 29.104 0.000 . 1 . . . . A 688 LYS CD . 18183 1 346 . 1 1 30 30 LYS CE C 13 41.962 0.000 . 1 . . . . A 688 LYS CE . 18183 1 347 . 1 1 30 30 LYS N N 15 118.446 0.048 . 1 . . . . A 688 LYS N . 18183 1 348 . 1 1 31 31 SER H H 1 7.709 0.005 . 1 . . . . A 689 SER H . 18183 1 349 . 1 1 31 31 SER HA H 1 4.417 0.006 . 1 . . . . A 689 SER HA . 18183 1 350 . 1 1 31 31 SER HB2 H 1 3.726 0.004 . 2 . . . . A 689 SER HB2 . 18183 1 351 . 1 1 31 31 SER HB3 H 1 3.848 0.003 . 2 . . . . A 689 SER HB3 . 18183 1 352 . 1 1 31 31 SER C C 13 174.495 0.013 . 1 . . . . A 689 SER C . 18183 1 353 . 1 1 31 31 SER CA C 13 58.387 0.099 . 1 . . . . A 689 SER CA . 18183 1 354 . 1 1 31 31 SER CB C 13 63.281 0.094 . 1 . . . . A 689 SER CB . 18183 1 355 . 1 1 31 31 SER N N 15 111.039 0.032 . 1 . . . . A 689 SER N . 18183 1 356 . 1 1 32 32 HIS H H 1 7.647 0.004 . 1 . . . . A 690 HIS H . 18183 1 357 . 1 1 32 32 HIS HA H 1 4.576 0.005 . 1 . . . . A 690 HIS HA . 18183 1 358 . 1 1 32 32 HIS HB2 H 1 3.009 0.004 . 2 . . . . A 690 HIS HB2 . 18183 1 359 . 1 1 32 32 HIS HB3 H 1 3.562 0.007 . 2 . . . . A 690 HIS HB3 . 18183 1 360 . 1 1 32 32 HIS HD2 H 1 7.521 0.006 . 1 . . . . A 690 HIS HD2 . 18183 1 361 . 1 1 32 32 HIS C C 13 173.913 0.000 . 1 . . . . A 690 HIS C . 18183 1 362 . 1 1 32 32 HIS CA C 13 56.076 0.180 . 1 . . . . A 690 HIS CA . 18183 1 363 . 1 1 32 32 HIS CB C 13 31.853 0.038 . 1 . . . . A 690 HIS CB . 18183 1 364 . 1 1 32 32 HIS N N 15 120.253 0.014 . 1 . . . . A 690 HIS N . 18183 1 365 . 1 1 33 33 ALA H H 1 8.452 0.006 . 1 . . . . A 691 ALA H . 18183 1 366 . 1 1 33 33 ALA HA H 1 4.278 0.004 . 1 . . . . A 691 ALA HA . 18183 1 367 . 1 1 33 33 ALA HB1 H 1 1.346 0.004 . 1 . . . . A 691 ALA HB1 . 18183 1 368 . 1 1 33 33 ALA HB2 H 1 1.346 0.004 . 1 . . . . A 691 ALA HB2 . 18183 1 369 . 1 1 33 33 ALA HB3 H 1 1.346 0.004 . 1 . . . . A 691 ALA HB3 . 18183 1 370 . 1 1 33 33 ALA C C 13 179.503 0.017 . 1 . . . . A 691 ALA C . 18183 1 371 . 1 1 33 33 ALA CA C 13 51.718 0.061 . 1 . . . . A 691 ALA CA . 18183 1 372 . 1 1 33 33 ALA CB C 13 20.269 0.054 . 1 . . . . A 691 ALA CB . 18183 1 373 . 1 1 33 33 ALA N N 15 120.403 0.055 . 1 . . . . A 691 ALA N . 18183 1 374 . 1 1 34 34 SER H H 1 9.002 0.003 . 1 . . . . A 692 SER H . 18183 1 375 . 1 1 34 34 SER HA H 1 4.047 0.007 . 1 . . . . A 692 SER HA . 18183 1 376 . 1 1 34 34 SER HB2 H 1 3.979 0.006 . 2 . . . . A 692 SER HB2 . 18183 1 377 . 1 1 34 34 SER HB3 H 1 3.979 0.006 . 2 . . . . A 692 SER HB3 . 18183 1 378 . 1 1 34 34 SER C C 13 175.307 0.000 . 1 . . . . A 692 SER C . 18183 1 379 . 1 1 34 34 SER CA C 13 60.434 0.067 . 1 . . . . A 692 SER CA . 18183 1 380 . 1 1 34 34 SER CB C 13 63.132 0.054 . 1 . . . . A 692 SER CB . 18183 1 381 . 1 1 34 34 SER N N 15 117.464 0.026 . 1 . . . . A 692 SER N . 18183 1 382 . 1 1 35 35 GLY H H 1 9.873 0.003 . 1 . . . . A 693 GLY H . 18183 1 383 . 1 1 35 35 GLY HA2 H 1 3.654 0.007 . 2 . . . . A 693 GLY HA2 . 18183 1 384 . 1 1 35 35 GLY HA3 H 1 4.615 0.005 . 2 . . . . A 693 GLY HA3 . 18183 1 385 . 1 1 35 35 GLY C C 13 174.739 0.000 . 1 . . . . A 693 GLY C . 18183 1 386 . 1 1 35 35 GLY CA C 13 44.850 0.096 . 1 . . . . A 693 GLY CA . 18183 1 387 . 1 1 35 35 GLY N N 15 113.364 0.029 . 1 . . . . A 693 GLY N . 18183 1 388 . 1 1 36 36 THR H H 1 8.240 0.009 . 1 . . . . A 694 THR H . 18183 1 389 . 1 1 36 36 THR HA H 1 5.923 0.007 . 1 . . . . A 694 THR HA . 18183 1 390 . 1 1 36 36 THR HB H 1 4.023 0.008 . 1 . . . . A 694 THR HB . 18183 1 391 . 1 1 36 36 THR HG21 H 1 1.078 0.005 . 1 . . . . A 694 THR HG21 . 18183 1 392 . 1 1 36 36 THR HG22 H 1 1.078 0.005 . 1 . . . . A 694 THR HG22 . 18183 1 393 . 1 1 36 36 THR HG23 H 1 1.078 0.005 . 1 . . . . A 694 THR HG23 . 18183 1 394 . 1 1 36 36 THR C C 13 173.253 0.000 . 1 . . . . A 694 THR C . 18183 1 395 . 1 1 36 36 THR CA C 13 63.429 0.040 . 1 . . . . A 694 THR CA . 18183 1 396 . 1 1 36 36 THR CB C 13 68.091 0.084 . 1 . . . . A 694 THR CB . 18183 1 397 . 1 1 36 36 THR CG2 C 13 21.041 0.000 . 1 . . . . A 694 THR CG2 . 18183 1 398 . 1 1 36 36 THR N N 15 120.932 0.033 . 1 . . . . A 694 THR N . 18183 1 399 . 1 1 37 37 TYR H H 1 8.765 0.005 . 1 . . . . A 695 TYR H . 18183 1 400 . 1 1 37 37 TYR HA H 1 5.976 0.004 . 1 . . . . A 695 TYR HA . 18183 1 401 . 1 1 37 37 TYR HB2 H 1 2.643 0.003 . 2 . . . . A 695 TYR HB2 . 18183 1 402 . 1 1 37 37 TYR HB3 H 1 2.745 0.005 . 2 . . . . A 695 TYR HB3 . 18183 1 403 . 1 1 37 37 TYR HD1 H 1 7.271 0.005 . 3 . . . . A 695 TYR HD1 . 18183 1 404 . 1 1 37 37 TYR HD2 H 1 7.271 0.005 . 3 . . . . A 695 TYR HD2 . 18183 1 405 . 1 1 37 37 TYR HE1 H 1 7.079 0.000 . 3 . . . . A 695 TYR HE1 . 18183 1 406 . 1 1 37 37 TYR HE2 H 1 7.079 0.000 . 3 . . . . A 695 TYR HE2 . 18183 1 407 . 1 1 37 37 TYR C C 13 171.737 0.005 . 1 . . . . A 695 TYR C . 18183 1 408 . 1 1 37 37 TYR CA C 13 55.235 0.085 . 1 . . . . A 695 TYR CA . 18183 1 409 . 1 1 37 37 TYR CB C 13 44.289 0.058 . 1 . . . . A 695 TYR CB . 18183 1 410 . 1 1 37 37 TYR N N 15 123.567 0.037 . 1 . . . . A 695 TYR N . 18183 1 411 . 1 1 38 38 LEU H H 1 9.008 0.003 . 1 . . . . A 696 LEU H . 18183 1 412 . 1 1 38 38 LEU HA H 1 5.103 0.007 . 1 . . . . A 696 LEU HA . 18183 1 413 . 1 1 38 38 LEU HB2 H 1 1.310 0.007 . 2 . . . . A 696 LEU HB2 . 18183 1 414 . 1 1 38 38 LEU HB3 H 1 1.666 0.009 . 2 . . . . A 696 LEU HB3 . 18183 1 415 . 1 1 38 38 LEU HG H 1 1.488 0.004 . 1 . . . . A 696 LEU HG . 18183 1 416 . 1 1 38 38 LEU HD11 H 1 0.532 0.007 . 2 . . . . A 696 LEU HD11 . 18183 1 417 . 1 1 38 38 LEU HD12 H 1 0.532 0.007 . 2 . . . . A 696 LEU HD12 . 18183 1 418 . 1 1 38 38 LEU HD13 H 1 0.532 0.007 . 2 . . . . A 696 LEU HD13 . 18183 1 419 . 1 1 38 38 LEU HD21 H 1 0.138 0.003 . 2 . . . . A 696 LEU HD21 . 18183 1 420 . 1 1 38 38 LEU HD22 H 1 0.138 0.003 . 2 . . . . A 696 LEU HD22 . 18183 1 421 . 1 1 38 38 LEU HD23 H 1 0.138 0.003 . 2 . . . . A 696 LEU HD23 . 18183 1 422 . 1 1 38 38 LEU C C 13 174.368 0.002 . 1 . . . . A 696 LEU C . 18183 1 423 . 1 1 38 38 LEU CA C 13 53.832 0.125 . 1 . . . . A 696 LEU CA . 18183 1 424 . 1 1 38 38 LEU CB C 13 46.294 0.048 . 1 . . . . A 696 LEU CB . 18183 1 425 . 1 1 38 38 LEU CG C 13 25.045 0.064 . 1 . . . . A 696 LEU CG . 18183 1 426 . 1 1 38 38 LEU CD1 C 13 26.716 0.000 . 2 . . . . A 696 LEU CD1 . 18183 1 427 . 1 1 38 38 LEU CD2 C 13 24.159 0.000 . 2 . . . . A 696 LEU CD2 . 18183 1 428 . 1 1 38 38 LEU N N 15 115.294 0.013 . 1 . . . . A 696 LEU N . 18183 1 429 . 1 1 39 39 ILE H H 1 9.276 0.008 . 1 . . . . A 697 ILE H . 18183 1 430 . 1 1 39 39 ILE HA H 1 5.293 0.008 . 1 . . . . A 697 ILE HA . 18183 1 431 . 1 1 39 39 ILE HB H 1 2.284 0.005 . 1 . . . . A 697 ILE HB . 18183 1 432 . 1 1 39 39 ILE HG12 H 1 1.292 0.002 . 2 . . . . A 697 ILE HG12 . 18183 1 433 . 1 1 39 39 ILE HG13 H 1 1.370 0.004 . 2 . . . . A 697 ILE HG13 . 18183 1 434 . 1 1 39 39 ILE HG21 H 1 0.962 0.004 . 1 . . . . A 697 ILE HG21 . 18183 1 435 . 1 1 39 39 ILE HG22 H 1 0.962 0.004 . 1 . . . . A 697 ILE HG22 . 18183 1 436 . 1 1 39 39 ILE HG23 H 1 0.962 0.004 . 1 . . . . A 697 ILE HG23 . 18183 1 437 . 1 1 39 39 ILE HD11 H 1 0.655 0.005 . 1 . . . . A 697 ILE HD11 . 18183 1 438 . 1 1 39 39 ILE HD12 H 1 0.655 0.005 . 1 . . . . A 697 ILE HD12 . 18183 1 439 . 1 1 39 39 ILE HD13 H 1 0.655 0.005 . 1 . . . . A 697 ILE HD13 . 18183 1 440 . 1 1 39 39 ILE C C 13 173.625 0.000 . 1 . . . . A 697 ILE C . 18183 1 441 . 1 1 39 39 ILE CA C 13 59.806 0.028 . 1 . . . . A 697 ILE CA . 18183 1 442 . 1 1 39 39 ILE CB C 13 38.766 0.043 . 1 . . . . A 697 ILE CB . 18183 1 443 . 1 1 39 39 ILE CG1 C 13 31.104 0.000 . 1 . . . . A 697 ILE CG1 . 18183 1 444 . 1 1 39 39 ILE CG2 C 13 20.290 0.000 . 1 . . . . A 697 ILE CG2 . 18183 1 445 . 1 1 39 39 ILE CD1 C 13 14.210 0.000 . 1 . . . . A 697 ILE CD1 . 18183 1 446 . 1 1 39 39 ILE N N 15 122.087 0.032 . 1 . . . . A 697 ILE N . 18183 1 447 . 1 1 40 40 ARG H H 1 9.032 0.005 . 1 . . . . A 698 ARG H . 18183 1 448 . 1 1 40 40 ARG HA H 1 5.144 0.004 . 1 . . . . A 698 ARG HA . 18183 1 449 . 1 1 40 40 ARG HB2 H 1 1.926 0.003 . 2 . . . . A 698 ARG HB2 . 18183 1 450 . 1 1 40 40 ARG HB3 H 1 1.926 0.003 . 2 . . . . A 698 ARG HB3 . 18183 1 451 . 1 1 40 40 ARG HG2 H 1 1.384 0.002 . 2 . . . . A 698 ARG HG2 . 18183 1 452 . 1 1 40 40 ARG HG3 H 1 1.384 0.002 . 2 . . . . A 698 ARG HG3 . 18183 1 453 . 1 1 40 40 ARG HD2 H 1 3.134 0.003 . 2 . . . . A 698 ARG HD2 . 18183 1 454 . 1 1 40 40 ARG HD3 H 1 3.134 0.003 . 2 . . . . A 698 ARG HD3 . 18183 1 455 . 1 1 40 40 ARG C C 13 173.789 0.011 . 1 . . . . A 698 ARG C . 18183 1 456 . 1 1 40 40 ARG CA C 13 52.171 0.000 . 1 . . . . A 698 ARG CA . 18183 1 457 . 1 1 40 40 ARG CB C 13 33.426 0.000 . 1 . . . . A 698 ARG CB . 18183 1 458 . 1 1 40 40 ARG CD C 13 43.337 0.000 . 1 . . . . A 698 ARG CD . 18183 1 459 . 1 1 40 40 ARG N N 15 123.307 0.045 . 1 . . . . A 698 ARG N . 18183 1 460 . 1 1 41 41 GLU H H 1 8.453 0.004 . 1 . . . . A 699 GLU H . 18183 1 461 . 1 1 41 41 GLU HA H 1 4.991 0.004 . 1 . . . . A 699 GLU HA . 18183 1 462 . 1 1 41 41 GLU HB2 H 1 1.877 0.008 . 2 . . . . A 699 GLU HB2 . 18183 1 463 . 1 1 41 41 GLU HB3 H 1 1.877 0.008 . 2 . . . . A 699 GLU HB3 . 18183 1 464 . 1 1 41 41 GLU HG2 H 1 1.995 0.004 . 2 . . . . A 699 GLU HG2 . 18183 1 465 . 1 1 41 41 GLU HG3 H 1 1.995 0.004 . 2 . . . . A 699 GLU HG3 . 18183 1 466 . 1 1 41 41 GLU C C 13 175.788 0.068 . 1 . . . . A 699 GLU C . 18183 1 467 . 1 1 41 41 GLU CA C 13 54.839 0.000 . 1 . . . . A 699 GLU CA . 18183 1 468 . 1 1 41 41 GLU CB C 13 32.923 0.000 . 1 . . . . A 699 GLU CB . 18183 1 469 . 1 1 41 41 GLU N N 15 122.502 0.029 . 1 . . . . A 699 GLU N . 18183 1 470 . 1 1 42 42 ARG H H 1 8.844 0.005 . 1 . . . . A 700 ARG H . 18183 1 471 . 1 1 42 42 ARG HA H 1 4.654 0.000 . 1 . . . . A 700 ARG HA . 18183 1 472 . 1 1 42 42 ARG HB2 H 1 1.854 0.001 . 2 . . . . A 700 ARG HB2 . 18183 1 473 . 1 1 42 42 ARG HB3 H 1 1.984 0.002 . 2 . . . . A 700 ARG HB3 . 18183 1 474 . 1 1 42 42 ARG HG2 H 1 1.320 0.000 . 2 . . . . A 700 ARG HG2 . 18183 1 475 . 1 1 42 42 ARG HG3 H 1 1.593 0.001 . 2 . . . . A 700 ARG HG3 . 18183 1 476 . 1 1 42 42 ARG HD2 H 1 3.12 0.000 . 2 . . . . A 700 ARG HD2 . 18183 1 477 . 1 1 42 42 ARG HD3 H 1 3.10 0.000 . 2 . . . . A 700 ARG HD3 . 18183 1 478 . 1 1 42 42 ARG HE H 1 7.528 0.003 . 1 . . . . A 700 ARG HE . 18183 1 479 . 1 1 42 42 ARG N N 15 125.039 0.014 . 1 . . . . A 700 ARG N . 18183 1 480 . 1 1 43 43 PRO HA H 1 4.215 0.006 . 1 . . . . A 701 PRO HA . 18183 1 481 . 1 1 43 43 PRO HB2 H 1 1.896 0.005 . 2 . . . . A 701 PRO HB2 . 18183 1 482 . 1 1 43 43 PRO HB3 H 1 2.132 0.007 . 2 . . . . A 701 PRO HB3 . 18183 1 483 . 1 1 43 43 PRO HG2 H 1 1.827 0.002 . 2 . . . . A 701 PRO HG2 . 18183 1 484 . 1 1 43 43 PRO HG3 H 1 1.827 0.002 . 2 . . . . A 701 PRO HG3 . 18183 1 485 . 1 1 43 43 PRO HD2 H 1 3.583 0.001 . 2 . . . . A 701 PRO HD2 . 18183 1 486 . 1 1 43 43 PRO HD3 H 1 3.460 0.000 . 2 . . . . A 701 PRO HD3 . 18183 1 487 . 1 1 43 43 PRO C C 13 176.485 0.000 . 1 . . . . A 701 PRO C . 18183 1 488 . 1 1 43 43 PRO CA C 13 64.030 0.078 . 1 . . . . A 701 PRO CA . 18183 1 489 . 1 1 43 43 PRO CB C 13 31.450 0.000 . 1 . . . . A 701 PRO CB . 18183 1 490 . 1 1 43 43 PRO CG C 13 26.545 0.000 . 1 . . . . A 701 PRO CG . 18183 1 491 . 1 1 43 43 PRO CD C 13 50.074 0.000 . 1 . . . . A 701 PRO CD . 18183 1 492 . 1 1 44 44 ALA H H 1 8.217 0.003 . 1 . . . . A 702 ALA H . 18183 1 493 . 1 1 44 44 ALA HA H 1 4.243 0.004 . 1 . . . . A 702 ALA HA . 18183 1 494 . 1 1 44 44 ALA HB1 H 1 1.305 0.005 . 1 . . . . A 702 ALA HB1 . 18183 1 495 . 1 1 44 44 ALA HB2 H 1 1.305 0.005 . 1 . . . . A 702 ALA HB2 . 18183 1 496 . 1 1 44 44 ALA HB3 H 1 1.305 0.005 . 1 . . . . A 702 ALA HB3 . 18183 1 497 . 1 1 44 44 ALA C C 13 176.924 0.008 . 1 . . . . A 702 ALA C . 18183 1 498 . 1 1 44 44 ALA CA C 13 52.068 0.000 . 1 . . . . A 702 ALA CA . 18183 1 499 . 1 1 44 44 ALA CB C 13 19.427 0.000 . 1 . . . . A 702 ALA CB . 18183 1 500 . 1 1 44 44 ALA N N 15 120.718 0.005 . 1 . . . . A 702 ALA N . 18183 1 501 . 1 1 45 45 GLU H H 1 7.638 0.003 . 1 . . . . A 703 GLU H . 18183 1 502 . 1 1 45 45 GLU HA H 1 4.305 0.000 . 1 . . . . A 703 GLU HA . 18183 1 503 . 1 1 45 45 GLU HB2 H 1 1.784 0.000 . 2 . . . . A 703 GLU HB2 . 18183 1 504 . 1 1 45 45 GLU HB3 H 1 1.784 0.000 . 2 . . . . A 703 GLU HB3 . 18183 1 505 . 1 1 45 45 GLU HG2 H 1 2.066 0.000 . 2 . . . . A 703 GLU HG2 . 18183 1 506 . 1 1 45 45 GLU HG3 H 1 2.066 0.000 . 2 . . . . A 703 GLU HG3 . 18183 1 507 . 1 1 45 45 GLU C C 13 176.308 0.000 . 1 . . . . A 703 GLU C . 18183 1 508 . 1 1 45 45 GLU N N 15 118.107 0.032 . 1 . . . . A 703 GLU N . 18183 1 509 . 1 1 46 46 ALA H H 1 8.596 0.003 . 1 . . . . A 704 ALA H . 18183 1 510 . 1 1 46 46 ALA HA H 1 4.135 0.006 . 1 . . . . A 704 ALA HA . 18183 1 511 . 1 1 46 46 ALA HB1 H 1 1.386 0.005 . 1 . . . . A 704 ALA HB1 . 18183 1 512 . 1 1 46 46 ALA HB2 H 1 1.386 0.005 . 1 . . . . A 704 ALA HB2 . 18183 1 513 . 1 1 46 46 ALA HB3 H 1 1.386 0.005 . 1 . . . . A 704 ALA HB3 . 18183 1 514 . 1 1 46 46 ALA C C 13 178.439 0.000 . 1 . . . . A 704 ALA C . 18183 1 515 . 1 1 46 46 ALA N N 15 122.161 0.011 . 1 . . . . A 704 ALA N . 18183 1 516 . 1 1 47 47 GLU H H 1 7.642 0.002 . 1 . . . . A 705 GLU H . 18183 1 517 . 1 1 47 47 GLU HA H 1 4.646 0.005 . 1 . . . . A 705 GLU HA . 18183 1 518 . 1 1 47 47 GLU HG2 H 1 2.136 0.004 . 2 . . . . A 705 GLU HG2 . 18183 1 519 . 1 1 47 47 GLU HG3 H 1 2.136 0.004 . 2 . . . . A 705 GLU HG3 . 18183 1 520 . 1 1 47 47 GLU C C 13 175.340 0.000 . 1 . . . . A 705 GLU C . 18183 1 521 . 1 1 48 48 ARG H H 1 8.163 0.004 . 1 . . . . A 706 ARG H . 18183 1 522 . 1 1 48 48 ARG HA H 1 4.640 0.003 . 1 . . . . A 706 ARG HA . 18183 1 523 . 1 1 48 48 ARG HB2 H 1 1.276 0.001 . 2 . . . . A 706 ARG HB2 . 18183 1 524 . 1 1 48 48 ARG HB3 H 1 1.276 0.001 . 2 . . . . A 706 ARG HB3 . 18183 1 525 . 1 1 48 48 ARG HG2 H 1 0.817 0.000 . 2 . . . . A 706 ARG HG2 . 18183 1 526 . 1 1 48 48 ARG HG3 H 1 0.817 0.000 . 2 . . . . A 706 ARG HG3 . 18183 1 527 . 1 1 48 48 ARG HD2 H 1 2.907 0.000 . 2 . . . . A 706 ARG HD2 . 18183 1 528 . 1 1 48 48 ARG HD3 H 1 2.907 0.000 . 2 . . . . A 706 ARG HD3 . 18183 1 529 . 1 1 48 48 ARG HE H 1 7.528 0.000 . 1 . . . . A 706 ARG HE . 18183 1 530 . 1 1 48 48 ARG C C 13 175.645 0.000 . 1 . . . . A 706 ARG C . 18183 1 531 . 1 1 48 48 ARG CD C 13 43.288 0.000 . 1 . . . . A 706 ARG CD . 18183 1 532 . 1 1 48 48 ARG N N 15 122.871 0.000 . 1 . . . . A 706 ARG N . 18183 1 533 . 1 1 48 48 ARG NE N 15 85.786 0.000 . 1 . . . . A 706 ARG NE . 18183 1 534 . 1 1 49 49 PHE H H 1 8.370 0.003 . 1 . . . . A 707 PHE H . 18183 1 535 . 1 1 49 49 PHE HA H 1 5.784 0.005 . 1 . . . . A 707 PHE HA . 18183 1 536 . 1 1 49 49 PHE HB2 H 1 2.037 0.007 . 2 . . . . A 707 PHE HB2 . 18183 1 537 . 1 1 49 49 PHE HB3 H 1 2.893 0.005 . 2 . . . . A 707 PHE HB3 . 18183 1 538 . 1 1 49 49 PHE HD1 H 1 6.995 0.007 . 3 . . . . A 707 PHE HD1 . 18183 1 539 . 1 1 49 49 PHE HD2 H 1 6.995 0.007 . 3 . . . . A 707 PHE HD2 . 18183 1 540 . 1 1 49 49 PHE HE1 H 1 7.266 0.004 . 3 . . . . A 707 PHE HE1 . 18183 1 541 . 1 1 49 49 PHE HE2 H 1 7.266 0.004 . 3 . . . . A 707 PHE HE2 . 18183 1 542 . 1 1 49 49 PHE C C 13 174.536 0.000 . 1 . . . . A 707 PHE C . 18183 1 543 . 1 1 49 49 PHE N N 15 113.719 0.016 . 1 . . . . A 707 PHE N . 18183 1 544 . 1 1 50 50 ALA H H 1 8.868 0.007 . 1 . . . . A 708 ALA H . 18183 1 545 . 1 1 50 50 ALA HA H 1 5.120 0.010 . 1 . . . . A 708 ALA HA . 18183 1 546 . 1 1 50 50 ALA HB1 H 1 1.074 0.006 . 1 . . . . A 708 ALA HB1 . 18183 1 547 . 1 1 50 50 ALA HB2 H 1 1.074 0.006 . 1 . . . . A 708 ALA HB2 . 18183 1 548 . 1 1 50 50 ALA HB3 H 1 1.074 0.006 . 1 . . . . A 708 ALA HB3 . 18183 1 549 . 1 1 50 50 ALA C C 13 175.964 0.007 . 1 . . . . A 708 ALA C . 18183 1 550 . 1 1 50 50 ALA CA C 13 51.013 0.013 . 1 . . . . A 708 ALA CA . 18183 1 551 . 1 1 50 50 ALA CB C 13 21.880 0.000 . 1 . . . . A 708 ALA CB . 18183 1 552 . 1 1 50 50 ALA N N 15 119.650 0.007 . 1 . . . . A 708 ALA N . 18183 1 553 . 1 1 51 51 ILE H H 1 9.130 0.015 . 1 . . . . A 709 ILE H . 18183 1 554 . 1 1 51 51 ILE HA H 1 4.647 0.005 . 1 . . . . A 709 ILE HA . 18183 1 555 . 1 1 51 51 ILE HB H 1 1.488 0.006 . 1 . . . . A 709 ILE HB . 18183 1 556 . 1 1 51 51 ILE HG21 H 1 0.601 0.005 . 1 . . . . A 709 ILE HG21 . 18183 1 557 . 1 1 51 51 ILE HG22 H 1 0.601 0.005 . 1 . . . . A 709 ILE HG22 . 18183 1 558 . 1 1 51 51 ILE HG23 H 1 0.601 0.005 . 1 . . . . A 709 ILE HG23 . 18183 1 559 . 1 1 51 51 ILE HD11 H 1 0.440 0.006 . 1 . . . . A 709 ILE HD11 . 18183 1 560 . 1 1 51 51 ILE HD12 H 1 0.440 0.006 . 1 . . . . A 709 ILE HD12 . 18183 1 561 . 1 1 51 51 ILE HD13 H 1 0.440 0.006 . 1 . . . . A 709 ILE HD13 . 18183 1 562 . 1 1 51 51 ILE C C 13 175.049 0.013 . 1 . . . . A 709 ILE C . 18183 1 563 . 1 1 51 51 ILE CA C 13 60.499 0.036 . 1 . . . . A 709 ILE CA . 18183 1 564 . 1 1 51 51 ILE CB C 13 39.996 0.065 . 1 . . . . A 709 ILE CB . 18183 1 565 . 1 1 51 51 ILE CG1 C 13 27.154 0.000 . 1 . . . . A 709 ILE CG1 . 18183 1 566 . 1 1 51 51 ILE CG2 C 13 16.905 0.000 . 1 . . . . A 709 ILE CG2 . 18183 1 567 . 1 1 51 51 ILE CD1 C 13 14.285 0.000 . 1 . . . . A 709 ILE CD1 . 18183 1 568 . 1 1 51 51 ILE N N 15 121.077 0.018 . 1 . . . . A 709 ILE N . 18183 1 569 . 1 1 52 52 SER H H 1 9.204 0.008 . 1 . . . . A 710 SER H . 18183 1 570 . 1 1 52 52 SER HA H 1 5.454 0.007 . 1 . . . . A 710 SER HA . 18183 1 571 . 1 1 52 52 SER HB2 H 1 3.204 0.007 . 2 . . . . A 710 SER HB2 . 18183 1 572 . 1 1 52 52 SER HB3 H 1 3.204 0.007 . 2 . . . . A 710 SER HB3 . 18183 1 573 . 1 1 52 52 SER C C 13 172.024 0.001 . 1 . . . . A 710 SER C . 18183 1 574 . 1 1 52 52 SER CA C 13 57.614 0.067 . 1 . . . . A 710 SER CA . 18183 1 575 . 1 1 52 52 SER CB C 13 64.989 0.026 . 1 . . . . A 710 SER CB . 18183 1 576 . 1 1 52 52 SER N N 15 125.122 0.056 . 1 . . . . A 710 SER N . 18183 1 577 . 1 1 53 53 ILE H H 1 8.825 0.007 . 1 . . . . A 711 ILE H . 18183 1 578 . 1 1 53 53 ILE HA H 1 5.139 0.005 . 1 . . . . A 711 ILE HA . 18183 1 579 . 1 1 53 53 ILE HB H 1 1.246 0.007 . 1 . . . . A 711 ILE HB . 18183 1 580 . 1 1 53 53 ILE HG12 H 1 0.745 0.004 . 2 . . . . A 711 ILE HG12 . 18183 1 581 . 1 1 53 53 ILE HG13 H 1 0.745 0.004 . 2 . . . . A 711 ILE HG13 . 18183 1 582 . 1 1 53 53 ILE HG21 H 1 0.554 0.006 . 1 . . . . A 711 ILE HG21 . 18183 1 583 . 1 1 53 53 ILE HG22 H 1 0.554 0.006 . 1 . . . . A 711 ILE HG22 . 18183 1 584 . 1 1 53 53 ILE HG23 H 1 0.554 0.006 . 1 . . . . A 711 ILE HG23 . 18183 1 585 . 1 1 53 53 ILE HD11 H 1 0.589 0.005 . 1 . . . . A 711 ILE HD11 . 18183 1 586 . 1 1 53 53 ILE HD12 H 1 0.589 0.005 . 1 . . . . A 711 ILE HD12 . 18183 1 587 . 1 1 53 53 ILE HD13 H 1 0.589 0.005 . 1 . . . . A 711 ILE HD13 . 18183 1 588 . 1 1 53 53 ILE C C 13 173.093 0.002 . 1 . . . . A 711 ILE C . 18183 1 589 . 1 1 53 53 ILE CA C 13 57.633 0.095 . 1 . . . . A 711 ILE CA . 18183 1 590 . 1 1 53 53 ILE CB C 13 42.823 0.045 . 1 . . . . A 711 ILE CB . 18183 1 591 . 1 1 53 53 ILE CG1 C 13 27.954 0.000 . 1 . . . . A 711 ILE CG1 . 18183 1 592 . 1 1 53 53 ILE CG2 C 13 16.369 0.000 . 1 . . . . A 711 ILE CG2 . 18183 1 593 . 1 1 53 53 ILE CD1 C 13 16.517 0.000 . 1 . . . . A 711 ILE CD1 . 18183 1 594 . 1 1 53 53 ILE N N 15 121.512 0.029 . 1 . . . . A 711 ILE N . 18183 1 595 . 1 1 54 54 LYS H H 1 8.863 0.009 . 1 . . . . A 712 LYS H . 18183 1 596 . 1 1 54 54 LYS HA H 1 4.755 0.007 . 1 . . . . A 712 LYS HA . 18183 1 597 . 1 1 54 54 LYS HB2 H 1 1.399 0.007 . 2 . . . . A 712 LYS HB2 . 18183 1 598 . 1 1 54 54 LYS HB3 H 1 2.286 0.006 . 2 . . . . A 712 LYS HB3 . 18183 1 599 . 1 1 54 54 LYS HG2 H 1 0.949 0.006 . 2 . . . . A 712 LYS HG2 . 18183 1 600 . 1 1 54 54 LYS HG3 H 1 1.647 0.001 . 2 . . . . A 712 LYS HG3 . 18183 1 601 . 1 1 54 54 LYS HD2 H 1 1.484 0.000 . 2 . . . . A 712 LYS HD2 . 18183 1 602 . 1 1 54 54 LYS HD3 H 1 1.638 0.000 . 2 . . . . A 712 LYS HD3 . 18183 1 603 . 1 1 54 54 LYS HE2 H 1 2.996 0.008 . 2 . . . . A 712 LYS HE2 . 18183 1 604 . 1 1 54 54 LYS HE3 H 1 2.996 0.008 . 2 . . . . A 712 LYS HE3 . 18183 1 605 . 1 1 54 54 LYS C C 13 174.850 0.009 . 1 . . . . A 712 LYS C . 18183 1 606 . 1 1 54 54 LYS CA C 13 54.245 0.119 . 1 . . . . A 712 LYS CA . 18183 1 607 . 1 1 54 54 LYS CB C 13 33.334 0.031 . 1 . . . . A 712 LYS CB . 18183 1 608 . 1 1 54 54 LYS CD C 13 27.926 0.000 . 1 . . . . A 712 LYS CD . 18183 1 609 . 1 1 54 54 LYS CE C 13 42.767 0.000 . 1 . . . . A 712 LYS CE . 18183 1 610 . 1 1 54 54 LYS N N 15 128.814 0.039 . 1 . . . . A 712 LYS N . 18183 1 611 . 1 1 55 55 PHE H H 1 9.373 0.005 . 1 . . . . A 713 PHE H . 18183 1 612 . 1 1 55 55 PHE HA H 1 4.868 0.009 . 1 . . . . A 713 PHE HA . 18183 1 613 . 1 1 55 55 PHE HB2 H 1 2.499 0.006 . 2 . . . . A 713 PHE HB2 . 18183 1 614 . 1 1 55 55 PHE HB3 H 1 2.780 0.006 . 2 . . . . A 713 PHE HB3 . 18183 1 615 . 1 1 55 55 PHE HD1 H 1 7.063 0.006 . 3 . . . . A 713 PHE HD1 . 18183 1 616 . 1 1 55 55 PHE HD2 H 1 7.063 0.006 . 3 . . . . A 713 PHE HD2 . 18183 1 617 . 1 1 55 55 PHE HE1 H 1 7.328 0.007 . 3 . . . . A 713 PHE HE1 . 18183 1 618 . 1 1 55 55 PHE HE2 H 1 7.328 0.007 . 3 . . . . A 713 PHE HE2 . 18183 1 619 . 1 1 55 55 PHE C C 13 174.223 0.005 . 1 . . . . A 713 PHE C . 18183 1 620 . 1 1 55 55 PHE CA C 13 58.149 0.066 . 1 . . . . A 713 PHE CA . 18183 1 621 . 1 1 55 55 PHE CB C 13 41.602 0.085 . 1 . . . . A 713 PHE CB . 18183 1 622 . 1 1 55 55 PHE N N 15 130.119 0.053 . 1 . . . . A 713 PHE N . 18183 1 623 . 1 1 56 56 ASN H H 1 8.364 0.004 . 1 . . . . A 714 ASN H . 18183 1 624 . 1 1 56 56 ASN HA H 1 3.898 0.006 . 1 . . . . A 714 ASN HA . 18183 1 625 . 1 1 56 56 ASN HB2 H 1 2.484 0.004 . 2 . . . . A 714 ASN HB2 . 18183 1 626 . 1 1 56 56 ASN HB3 H 1 2.722 0.006 . 2 . . . . A 714 ASN HB3 . 18183 1 627 . 1 1 56 56 ASN HD21 H 1 7.204 0.001 . 2 . . . . A 714 ASN HD21 . 18183 1 628 . 1 1 56 56 ASN HD22 H 1 6.531 0.002 . 2 . . . . A 714 ASN HD22 . 18183 1 629 . 1 1 56 56 ASN C C 13 173.945 0.015 . 1 . . . . A 714 ASN C . 18183 1 630 . 1 1 56 56 ASN CA C 13 55.006 0.000 . 1 . . . . A 714 ASN CA . 18183 1 631 . 1 1 56 56 ASN CB C 13 35.962 0.000 . 1 . . . . A 714 ASN CB . 18183 1 632 . 1 1 56 56 ASN N N 15 125.766 0.036 . 1 . . . . A 714 ASN N . 18183 1 633 . 1 1 56 56 ASN ND2 N 15 113.270 0.021 . 1 . . . . A 714 ASN ND2 . 18183 1 634 . 1 1 57 57 ASP H H 1 8.536 0.004 . 1 . . . . A 715 ASP H . 18183 1 635 . 1 1 57 57 ASP HA H 1 4.551 0.005 . 1 . . . . A 715 ASP HA . 18183 1 636 . 1 1 57 57 ASP HB2 H 1 2.656 0.008 . 2 . . . . A 715 ASP HB2 . 18183 1 637 . 1 1 57 57 ASP HB3 H 1 2.812 0.005 . 2 . . . . A 715 ASP HB3 . 18183 1 638 . 1 1 57 57 ASP C C 13 174.766 0.009 . 1 . . . . A 715 ASP C . 18183 1 639 . 1 1 57 57 ASP CA C 13 55.045 0.080 . 1 . . . . A 715 ASP CA . 18183 1 640 . 1 1 57 57 ASP CB C 13 40.577 0.055 . 1 . . . . A 715 ASP CB . 18183 1 641 . 1 1 57 57 ASP N N 15 117.708 0.016 . 1 . . . . A 715 ASP N . 18183 1 642 . 1 1 58 58 GLU H H 1 7.873 0.004 . 1 . . . . A 716 GLU H . 18183 1 643 . 1 1 58 58 GLU HA H 1 4.665 0.007 . 1 . . . . A 716 GLU HA . 18183 1 644 . 1 1 58 58 GLU HB2 H 1 1.952 0.006 . 2 . . . . A 716 GLU HB2 . 18183 1 645 . 1 1 58 58 GLU HB3 H 1 1.952 0.006 . 2 . . . . A 716 GLU HB3 . 18183 1 646 . 1 1 58 58 GLU HG2 H 1 2.191 0.004 . 2 . . . . A 716 GLU HG2 . 18183 1 647 . 1 1 58 58 GLU HG3 H 1 2.191 0.004 . 2 . . . . A 716 GLU HG3 . 18183 1 648 . 1 1 58 58 GLU C C 13 173.786 0.008 . 1 . . . . A 716 GLU C . 18183 1 649 . 1 1 58 58 GLU CA C 13 54.942 0.000 . 1 . . . . A 716 GLU CA . 18183 1 650 . 1 1 58 58 GLU CB C 13 34.163 0.046 . 1 . . . . A 716 GLU CB . 18183 1 651 . 1 1 58 58 GLU CG C 13 35.790 0.000 . 1 . . . . A 716 GLU CG . 18183 1 652 . 1 1 58 58 GLU N N 15 118.715 0.023 . 1 . . . . A 716 GLU N . 18183 1 653 . 1 1 59 59 VAL H H 1 8.473 0.003 . 1 . . . . A 717 VAL H . 18183 1 654 . 1 1 59 59 VAL HA H 1 4.373 0.006 . 1 . . . . A 717 VAL HA . 18183 1 655 . 1 1 59 59 VAL HB H 1 1.922 0.006 . 1 . . . . A 717 VAL HB . 18183 1 656 . 1 1 59 59 VAL HG11 H 1 0.777 0.005 . 2 . . . . A 717 VAL HG11 . 18183 1 657 . 1 1 59 59 VAL HG12 H 1 0.777 0.005 . 2 . . . . A 717 VAL HG12 . 18183 1 658 . 1 1 59 59 VAL HG13 H 1 0.777 0.005 . 2 . . . . A 717 VAL HG13 . 18183 1 659 . 1 1 59 59 VAL HG21 H 1 0.356 0.005 . 2 . . . . A 717 VAL HG21 . 18183 1 660 . 1 1 59 59 VAL HG22 H 1 0.356 0.005 . 2 . . . . A 717 VAL HG22 . 18183 1 661 . 1 1 59 59 VAL HG23 H 1 0.356 0.005 . 2 . . . . A 717 VAL HG23 . 18183 1 662 . 1 1 59 59 VAL C C 13 175.325 0.004 . 1 . . . . A 717 VAL C . 18183 1 663 . 1 1 59 59 VAL CA C 13 61.939 0.157 . 1 . . . . A 717 VAL CA . 18183 1 664 . 1 1 59 59 VAL CB C 13 32.017 0.049 . 1 . . . . A 717 VAL CB . 18183 1 665 . 1 1 59 59 VAL CG1 C 13 22.575 0.063 . 2 . . . . A 717 VAL CG1 . 18183 1 666 . 1 1 59 59 VAL CG2 C 13 22.575 0.063 . 2 . . . . A 717 VAL CG2 . 18183 1 667 . 1 1 59 59 VAL N N 15 120.798 0.045 . 1 . . . . A 717 VAL N . 18183 1 668 . 1 1 60 60 LYS H H 1 8.903 0.005 . 1 . . . . A 718 LYS H . 18183 1 669 . 1 1 60 60 LYS HA H 1 4.431 0.005 . 1 . . . . A 718 LYS HA . 18183 1 670 . 1 1 60 60 LYS HB2 H 1 1.505 0.007 . 2 . . . . A 718 LYS HB2 . 18183 1 671 . 1 1 60 60 LYS HB3 H 1 1.505 0.007 . 2 . . . . A 718 LYS HB3 . 18183 1 672 . 1 1 60 60 LYS HG2 H 1 1.237 0.004 . 2 . . . . A 718 LYS HG2 . 18183 1 673 . 1 1 60 60 LYS HG3 H 1 1.337 0.002 . 2 . . . . A 718 LYS HG3 . 18183 1 674 . 1 1 60 60 LYS HD2 H 1 1.591 0.001 . 2 . . . . A 718 LYS HD2 . 18183 1 675 . 1 1 60 60 LYS HD3 H 1 1.495 0.002 . 2 . . . . A 718 LYS HD3 . 18183 1 676 . 1 1 60 60 LYS HE2 H 1 2.842 0.005 . 2 . . . . A 718 LYS HE2 . 18183 1 677 . 1 1 60 60 LYS HE3 H 1 2.842 0.005 . 2 . . . . A 718 LYS HE3 . 18183 1 678 . 1 1 60 60 LYS C C 13 174.439 0.005 . 1 . . . . A 718 LYS C . 18183 1 679 . 1 1 60 60 LYS CA C 13 52.809 0.079 . 1 . . . . A 718 LYS CA . 18183 1 680 . 1 1 60 60 LYS CB C 13 33.105 0.045 . 1 . . . . A 718 LYS CB . 18183 1 681 . 1 1 60 60 LYS CG C 13 24.185 0.000 . 1 . . . . A 718 LYS CG . 18183 1 682 . 1 1 60 60 LYS CD C 13 27.790 0.000 . 1 . . . . A 718 LYS CD . 18183 1 683 . 1 1 60 60 LYS CE C 13 41.944 0.000 . 1 . . . . A 718 LYS CE . 18183 1 684 . 1 1 60 60 LYS N N 15 127.136 0.024 . 1 . . . . A 718 LYS N . 18183 1 685 . 1 1 61 61 HIS H H 1 8.422 0.005 . 1 . . . . A 719 HIS H . 18183 1 686 . 1 1 61 61 HIS HA H 1 5.223 0.007 . 1 . . . . A 719 HIS HA . 18183 1 687 . 1 1 61 61 HIS HB2 H 1 2.480 0.005 . 2 . . . . A 719 HIS HB2 . 18183 1 688 . 1 1 61 61 HIS HB3 H 1 2.786 0.005 . 2 . . . . A 719 HIS HB3 . 18183 1 689 . 1 1 61 61 HIS HD2 H 1 6.972 0.005 . 1 . . . . A 719 HIS HD2 . 18183 1 690 . 1 1 61 61 HIS HE1 H 1 7.351 0.004 . 1 . . . . A 719 HIS HE1 . 18183 1 691 . 1 1 61 61 HIS C C 13 175.173 0.030 . 1 . . . . A 719 HIS C . 18183 1 692 . 1 1 61 61 HIS CA C 13 55.160 0.091 . 1 . . . . A 719 HIS CA . 18183 1 693 . 1 1 61 61 HIS CB C 13 32.882 0.024 . 1 . . . . A 719 HIS CB . 18183 1 694 . 1 1 61 61 HIS N N 15 119.956 0.038 . 1 . . . . A 719 HIS N . 18183 1 695 . 1 1 62 62 ILE H H 1 9.646 0.019 . 1 . . . . A 720 ILE H . 18183 1 696 . 1 1 62 62 ILE HA H 1 4.136 0.005 . 1 . . . . A 720 ILE HA . 18183 1 697 . 1 1 62 62 ILE HB H 1 1.515 0.009 . 1 . . . . A 720 ILE HB . 18183 1 698 . 1 1 62 62 ILE HG12 H 1 0.438 0.007 . 2 . . . . A 720 ILE HG12 . 18183 1 699 . 1 1 62 62 ILE HG13 H 1 0.949 0.005 . 2 . . . . A 720 ILE HG13 . 18183 1 700 . 1 1 62 62 ILE HG21 H 1 0.713 0.002 . 1 . . . . A 720 ILE HG21 . 18183 1 701 . 1 1 62 62 ILE HG22 H 1 0.713 0.002 . 1 . . . . A 720 ILE HG22 . 18183 1 702 . 1 1 62 62 ILE HG23 H 1 0.713 0.002 . 1 . . . . A 720 ILE HG23 . 18183 1 703 . 1 1 62 62 ILE HD11 H 1 0.119 0.006 . 1 . . . . A 720 ILE HD11 . 18183 1 704 . 1 1 62 62 ILE HD12 H 1 0.119 0.006 . 1 . . . . A 720 ILE HD12 . 18183 1 705 . 1 1 62 62 ILE HD13 H 1 0.119 0.006 . 1 . . . . A 720 ILE HD13 . 18183 1 706 . 1 1 62 62 ILE C C 13 175.372 0.000 . 1 . . . . A 720 ILE C . 18183 1 707 . 1 1 62 62 ILE CA C 13 59.976 0.060 . 1 . . . . A 720 ILE CA . 18183 1 708 . 1 1 62 62 ILE CB C 13 41.028 0.048 . 1 . . . . A 720 ILE CB . 18183 1 709 . 1 1 62 62 ILE CG1 C 13 26.455 0.000 . 1 . . . . A 720 ILE CG1 . 18183 1 710 . 1 1 62 62 ILE CG2 C 13 18.476 0.002 . 1 . . . . A 720 ILE CG2 . 18183 1 711 . 1 1 62 62 ILE CD1 C 13 13.936 0.000 . 1 . . . . A 720 ILE CD1 . 18183 1 712 . 1 1 62 62 ILE N N 15 126.629 0.028 . 1 . . . . A 720 ILE N . 18183 1 713 . 1 1 63 63 LYS H H 1 8.741 0.005 . 1 . . . . A 721 LYS H . 18183 1 714 . 1 1 63 63 LYS HA H 1 4.227 0.009 . 1 . . . . A 721 LYS HA . 18183 1 715 . 1 1 63 63 LYS HB2 H 1 1.580 0.000 . 2 . . . . A 721 LYS HB2 . 18183 1 716 . 1 1 63 63 LYS HB3 H 1 1.758 0.003 . 2 . . . . A 721 LYS HB3 . 18183 1 717 . 1 1 63 63 LYS HG2 H 1 1.518 0.000 . 2 . . . . A 721 LYS HG2 . 18183 1 718 . 1 1 63 63 LYS HG3 H 1 1.276 0.001 . 2 . . . . A 721 LYS HG3 . 18183 1 719 . 1 1 63 63 LYS HD2 H 1 0.946 0.006 . 2 . . . . A 721 LYS HD2 . 18183 1 720 . 1 1 63 63 LYS HD3 H 1 0.946 0.006 . 2 . . . . A 721 LYS HD3 . 18183 1 721 . 1 1 63 63 LYS HE2 H 1 2.880 0.004 . 2 . . . . A 721 LYS HE2 . 18183 1 722 . 1 1 63 63 LYS HE3 H 1 2.880 0.004 . 2 . . . . A 721 LYS HE3 . 18183 1 723 . 1 1 63 63 LYS C C 13 174.877 0.004 . 1 . . . . A 721 LYS C . 18183 1 724 . 1 1 63 63 LYS CA C 13 57.540 0.062 . 1 . . . . A 721 LYS CA . 18183 1 725 . 1 1 63 63 LYS CB C 13 33.049 0.002 . 1 . . . . A 721 LYS CB . 18183 1 726 . 1 1 63 63 LYS CG C 13 25.711 0.000 . 1 . . . . A 721 LYS CG . 18183 1 727 . 1 1 63 63 LYS N N 15 127.276 0.036 . 1 . . . . A 721 LYS N . 18183 1 728 . 1 1 64 64 VAL H H 1 8.166 0.006 . 1 . . . . A 722 VAL H . 18183 1 729 . 1 1 64 64 VAL HA H 1 4.173 0.008 . 1 . . . . A 722 VAL HA . 18183 1 730 . 1 1 64 64 VAL HB H 1 1.543 0.002 . 1 . . . . A 722 VAL HB . 18183 1 731 . 1 1 64 64 VAL HG11 H 1 0.726 0.004 . 2 . . . . A 722 VAL HG11 . 18183 1 732 . 1 1 64 64 VAL HG12 H 1 0.726 0.004 . 2 . . . . A 722 VAL HG12 . 18183 1 733 . 1 1 64 64 VAL HG13 H 1 0.726 0.004 . 2 . . . . A 722 VAL HG13 . 18183 1 734 . 1 1 64 64 VAL HG21 H 1 0.621 0.004 . 2 . . . . A 722 VAL HG21 . 18183 1 735 . 1 1 64 64 VAL HG22 H 1 0.621 0.004 . 2 . . . . A 722 VAL HG22 . 18183 1 736 . 1 1 64 64 VAL HG23 H 1 0.621 0.004 . 2 . . . . A 722 VAL HG23 . 18183 1 737 . 1 1 64 64 VAL C C 13 174.522 0.025 . 1 . . . . A 722 VAL C . 18183 1 738 . 1 1 64 64 VAL CA C 13 61.495 0.007 . 1 . . . . A 722 VAL CA . 18183 1 739 . 1 1 64 64 VAL CB C 13 30.392 0.000 . 1 . . . . A 722 VAL CB . 18183 1 740 . 1 1 64 64 VAL N N 15 123.343 0.116 . 1 . . . . A 722 VAL N . 18183 1 741 . 1 1 65 65 VAL H H 1 8.469 0.005 . 1 . . . . A 723 VAL H . 18183 1 742 . 1 1 65 65 VAL HA H 1 4.146 0.009 . 1 . . . . A 723 VAL HA . 18183 1 743 . 1 1 65 65 VAL HB H 1 1.108 0.010 . 1 . . . . A 723 VAL HB . 18183 1 744 . 1 1 65 65 VAL HG11 H 1 0.812 0.001 . 2 . . . . A 723 VAL HG11 . 18183 1 745 . 1 1 65 65 VAL HG12 H 1 0.812 0.001 . 2 . . . . A 723 VAL HG12 . 18183 1 746 . 1 1 65 65 VAL HG13 H 1 0.812 0.001 . 2 . . . . A 723 VAL HG13 . 18183 1 747 . 1 1 65 65 VAL HG21 H 1 0.755 0.004 . 2 . . . . A 723 VAL HG21 . 18183 1 748 . 1 1 65 65 VAL HG22 H 1 0.755 0.004 . 2 . . . . A 723 VAL HG22 . 18183 1 749 . 1 1 65 65 VAL HG23 H 1 0.755 0.004 . 2 . . . . A 723 VAL HG23 . 18183 1 750 . 1 1 65 65 VAL C C 13 174.212 0.001 . 1 . . . . A 723 VAL C . 18183 1 751 . 1 1 65 65 VAL CA C 13 61.751 0.026 . 1 . . . . A 723 VAL CA . 18183 1 752 . 1 1 65 65 VAL CB C 13 33.279 0.020 . 1 . . . . A 723 VAL CB . 18183 1 753 . 1 1 65 65 VAL CG1 C 13 21.698 0.000 . 2 . . . . A 723 VAL CG1 . 18183 1 754 . 1 1 65 65 VAL CG2 C 13 21.698 0.000 . 2 . . . . A 723 VAL CG2 . 18183 1 755 . 1 1 65 65 VAL N N 15 127.934 0.031 . 1 . . . . A 723 VAL N . 18183 1 756 . 1 1 66 66 GLU H H 1 8.518 0.004 . 1 . . . . A 724 GLU H . 18183 1 757 . 1 1 66 66 GLU HA H 1 5.156 0.006 . 1 . . . . A 724 GLU HA . 18183 1 758 . 1 1 66 66 GLU HB2 H 1 1.871 0.006 . 2 . . . . A 724 GLU HB2 . 18183 1 759 . 1 1 66 66 GLU HB3 H 1 2.086 0.006 . 2 . . . . A 724 GLU HB3 . 18183 1 760 . 1 1 66 66 GLU HG2 H 1 2.076 0.003 . 2 . . . . A 724 GLU HG2 . 18183 1 761 . 1 1 66 66 GLU HG3 H 1 2.158 0.002 . 2 . . . . A 724 GLU HG3 . 18183 1 762 . 1 1 66 66 GLU C C 13 175.573 0.045 . 1 . . . . A 724 GLU C . 18183 1 763 . 1 1 66 66 GLU CA C 13 54.557 0.046 . 1 . . . . A 724 GLU CA . 18183 1 764 . 1 1 66 66 GLU CB C 13 32.441 0.052 . 1 . . . . A 724 GLU CB . 18183 1 765 . 1 1 66 66 GLU CG C 13 36.786 0.000 . 1 . . . . A 724 GLU CG . 18183 1 766 . 1 1 66 66 GLU N N 15 125.632 0.044 . 1 . . . . A 724 GLU N . 18183 1 767 . 1 1 67 67 LYS H H 1 8.671 0.004 . 1 . . . . A 725 LYS H . 18183 1 768 . 1 1 67 67 LYS HA H 1 4.452 0.007 . 1 . . . . A 725 LYS HA . 18183 1 769 . 1 1 67 67 LYS HB2 H 1 1.803 0.006 . 2 . . . . A 725 LYS HB2 . 18183 1 770 . 1 1 67 67 LYS HB3 H 1 1.695 0.004 . 2 . . . . A 725 LYS HB3 . 18183 1 771 . 1 1 67 67 LYS HG2 H 1 1.359 0.006 . 2 . . . . A 725 LYS HG2 . 18183 1 772 . 1 1 67 67 LYS HG3 H 1 1.359 0.006 . 2 . . . . A 725 LYS HG3 . 18183 1 773 . 1 1 67 67 LYS HD2 H 1 1.671 0.007 . 2 . . . . A 725 LYS HD2 . 18183 1 774 . 1 1 67 67 LYS HD3 H 1 1.671 0.007 . 2 . . . . A 725 LYS HD3 . 18183 1 775 . 1 1 67 67 LYS HE2 H 1 2.936 0.007 . 2 . . . . A 725 LYS HE2 . 18183 1 776 . 1 1 67 67 LYS HE3 H 1 2.936 0.007 . 2 . . . . A 725 LYS HE3 . 18183 1 777 . 1 1 67 67 LYS C C 13 175.624 0.013 . 1 . . . . A 725 LYS C . 18183 1 778 . 1 1 67 67 LYS CA C 13 56.254 0.060 . 1 . . . . A 725 LYS CA . 18183 1 779 . 1 1 67 67 LYS CB C 13 35.041 0.133 . 1 . . . . A 725 LYS CB . 18183 1 780 . 1 1 67 67 LYS CG C 13 24.562 0.000 . 1 . . . . A 725 LYS CG . 18183 1 781 . 1 1 67 67 LYS CD C 13 28.945 0.000 . 1 . . . . A 725 LYS CD . 18183 1 782 . 1 1 67 67 LYS CE C 13 41.947 0.000 . 1 . . . . A 725 LYS CE . 18183 1 783 . 1 1 67 67 LYS N N 15 125.857 0.032 . 1 . . . . A 725 LYS N . 18183 1 784 . 1 1 68 68 ASP H H 1 9.485 0.005 . 1 . . . . A 726 ASP H . 18183 1 785 . 1 1 68 68 ASP HA H 1 4.191 0.003 . 1 . . . . A 726 ASP HA . 18183 1 786 . 1 1 68 68 ASP HB2 H 1 2.898 0.004 . 2 . . . . A 726 ASP HB2 . 18183 1 787 . 1 1 68 68 ASP HB3 H 1 2.898 0.004 . 2 . . . . A 726 ASP HB3 . 18183 1 788 . 1 1 68 68 ASP C C 13 174.291 0.031 . 1 . . . . A 726 ASP C . 18183 1 789 . 1 1 68 68 ASP CA C 13 56.022 0.094 . 1 . . . . A 726 ASP CA . 18183 1 790 . 1 1 68 68 ASP CB C 13 39.391 0.052 . 1 . . . . A 726 ASP CB . 18183 1 791 . 1 1 68 68 ASP N N 15 127.302 0.038 . 1 . . . . A 726 ASP N . 18183 1 792 . 1 1 69 69 ASN H H 1 8.344 0.003 . 1 . . . . A 727 ASN H . 18183 1 793 . 1 1 69 69 ASN HA H 1 4.223 0.005 . 1 . . . . A 727 ASN HA . 18183 1 794 . 1 1 69 69 ASN HB2 H 1 2.404 0.003 . 2 . . . . A 727 ASN HB2 . 18183 1 795 . 1 1 69 69 ASN HB3 H 1 2.578 0.005 . 2 . . . . A 727 ASN HB3 . 18183 1 796 . 1 1 69 69 ASN HD21 H 1 7.221 0.003 . 2 . . . . A 727 ASN HD21 . 18183 1 797 . 1 1 69 69 ASN HD22 H 1 6.678 0.002 . 2 . . . . A 727 ASN HD22 . 18183 1 798 . 1 1 69 69 ASN C C 13 173.825 0.023 . 1 . . . . A 727 ASN C . 18183 1 799 . 1 1 69 69 ASN CA C 13 54.672 0.068 . 1 . . . . A 727 ASN CA . 18183 1 800 . 1 1 69 69 ASN CB C 13 37.344 0.009 . 1 . . . . A 727 ASN CB . 18183 1 801 . 1 1 69 69 ASN N N 15 110.250 0.026 . 1 . . . . A 727 ASN N . 18183 1 802 . 1 1 69 69 ASN ND2 N 15 113.027 0.000 . 1 . . . . A 727 ASN ND2 . 18183 1 803 . 1 1 70 70 TRP H H 1 8.050 0.004 . 1 . . . . A 728 TRP H . 18183 1 804 . 1 1 70 70 TRP HA H 1 5.316 0.007 . 1 . . . . A 728 TRP HA . 18183 1 805 . 1 1 70 70 TRP HB2 H 1 3.197 0.004 . 2 . . . . A 728 TRP HB2 . 18183 1 806 . 1 1 70 70 TRP HB3 H 1 3.413 0.005 . 2 . . . . A 728 TRP HB3 . 18183 1 807 . 1 1 70 70 TRP HD1 H 1 7.229 0.005 . 1 . . . . A 728 TRP HD1 . 18183 1 808 . 1 1 70 70 TRP HE1 H 1 10.062 0.003 . 1 . . . . A 728 TRP HE1 . 18183 1 809 . 1 1 70 70 TRP HE3 H 1 7.494 0.005 . 1 . . . . A 728 TRP HE3 . 18183 1 810 . 1 1 70 70 TRP HZ2 H 1 7.326 0.000 . 1 . . . . A 728 TRP HZ2 . 18183 1 811 . 1 1 70 70 TRP HZ3 H 1 7.014 0.002 . 1 . . . . A 728 TRP HZ3 . 18183 1 812 . 1 1 70 70 TRP HH2 H 1 7.057 0.000 . 1 . . . . A 728 TRP HH2 . 18183 1 813 . 1 1 70 70 TRP C C 13 174.989 0.032 . 1 . . . . A 728 TRP C . 18183 1 814 . 1 1 70 70 TRP CA C 13 56.712 0.048 . 1 . . . . A 728 TRP CA . 18183 1 815 . 1 1 70 70 TRP CB C 13 33.343 0.042 . 1 . . . . A 728 TRP CB . 18183 1 816 . 1 1 70 70 TRP N N 15 119.098 0.016 . 1 . . . . A 728 TRP N . 18183 1 817 . 1 1 70 70 TRP NE1 N 15 129.651 0.000 . 1 . . . . A 728 TRP NE1 . 18183 1 818 . 1 1 71 71 ILE H H 1 9.298 0.003 . 1 . . . . A 729 ILE H . 18183 1 819 . 1 1 71 71 ILE HA H 1 5.512 0.005 . 1 . . . . A 729 ILE HA . 18183 1 820 . 1 1 71 71 ILE HB H 1 1.633 0.004 . 1 . . . . A 729 ILE HB . 18183 1 821 . 1 1 71 71 ILE HG12 H 1 0.982 0.008 . 2 . . . . A 729 ILE HG12 . 18183 1 822 . 1 1 71 71 ILE HG13 H 1 1.382 0.005 . 2 . . . . A 729 ILE HG13 . 18183 1 823 . 1 1 71 71 ILE HG21 H 1 0.694 0.004 . 1 . . . . A 729 ILE HG21 . 18183 1 824 . 1 1 71 71 ILE HG22 H 1 0.694 0.004 . 1 . . . . A 729 ILE HG22 . 18183 1 825 . 1 1 71 71 ILE HG23 H 1 0.694 0.004 . 1 . . . . A 729 ILE HG23 . 18183 1 826 . 1 1 71 71 ILE HD11 H 1 0.736 0.004 . 1 . . . . A 729 ILE HD11 . 18183 1 827 . 1 1 71 71 ILE HD12 H 1 0.736 0.004 . 1 . . . . A 729 ILE HD12 . 18183 1 828 . 1 1 71 71 ILE HD13 H 1 0.736 0.004 . 1 . . . . A 729 ILE HD13 . 18183 1 829 . 1 1 71 71 ILE C C 13 175.265 0.000 . 1 . . . . A 729 ILE C . 18183 1 830 . 1 1 71 71 ILE CA C 13 58.794 0.046 . 1 . . . . A 729 ILE CA . 18183 1 831 . 1 1 71 71 ILE CB C 13 41.091 0.040 . 1 . . . . A 729 ILE CB . 18183 1 832 . 1 1 71 71 ILE CG1 C 13 28.060 0.000 . 1 . . . . A 729 ILE CG1 . 18183 1 833 . 1 1 71 71 ILE CG2 C 13 17.166 0.000 . 1 . . . . A 729 ILE CG2 . 18183 1 834 . 1 1 71 71 ILE CD1 C 13 13.676 0.000 . 1 . . . . A 729 ILE CD1 . 18183 1 835 . 1 1 71 71 ILE N N 15 121.706 0.067 . 1 . . . . A 729 ILE N . 18183 1 836 . 1 1 72 72 HIS H H 1 9.024 0.005 . 1 . . . . A 730 HIS H . 18183 1 837 . 1 1 72 72 HIS HA H 1 5.151 0.006 . 1 . . . . A 730 HIS HA . 18183 1 838 . 1 1 72 72 HIS HB2 H 1 3.414 0.004 . 2 . . . . A 730 HIS HB2 . 18183 1 839 . 1 1 72 72 HIS HB3 H 1 3.518 0.006 . 2 . . . . A 730 HIS HB3 . 18183 1 840 . 1 1 72 72 HIS HD2 H 1 6.335 0.004 . 1 . . . . A 730 HIS HD2 . 18183 1 841 . 1 1 72 72 HIS C C 13 173.774 0.006 . 1 . . . . A 730 HIS C . 18183 1 842 . 1 1 72 72 HIS CA C 13 56.519 0.080 . 1 . . . . A 730 HIS CA . 18183 1 843 . 1 1 72 72 HIS CB C 13 32.509 0.011 . 1 . . . . A 730 HIS CB . 18183 1 844 . 1 1 72 72 HIS N N 15 121.063 0.030 . 1 . . . . A 730 HIS N . 18183 1 845 . 1 1 73 73 ILE H H 1 9.425 0.005 . 1 . . . . A 731 ILE H . 18183 1 846 . 1 1 73 73 ILE HA H 1 4.896 0.007 . 1 . . . . A 731 ILE HA . 18183 1 847 . 1 1 73 73 ILE HB H 1 2.022 0.006 . 1 . . . . A 731 ILE HB . 18183 1 848 . 1 1 73 73 ILE HG12 H 1 1.494 0.006 . 2 . . . . A 731 ILE HG12 . 18183 1 849 . 1 1 73 73 ILE HG13 H 1 1.494 0.006 . 2 . . . . A 731 ILE HG13 . 18183 1 850 . 1 1 73 73 ILE HG21 H 1 0.948 0.004 . 1 . . . . A 731 ILE HG21 . 18183 1 851 . 1 1 73 73 ILE HG22 H 1 0.948 0.004 . 1 . . . . A 731 ILE HG22 . 18183 1 852 . 1 1 73 73 ILE HG23 H 1 0.948 0.004 . 1 . . . . A 731 ILE HG23 . 18183 1 853 . 1 1 73 73 ILE HD11 H 1 0.263 0.007 . 1 . . . . A 731 ILE HD11 . 18183 1 854 . 1 1 73 73 ILE HD12 H 1 0.263 0.007 . 1 . . . . A 731 ILE HD12 . 18183 1 855 . 1 1 73 73 ILE HD13 H 1 0.263 0.007 . 1 . . . . A 731 ILE HD13 . 18183 1 856 . 1 1 73 73 ILE CA C 13 62.302 0.000 . 1 . . . . A 731 ILE CA . 18183 1 857 . 1 1 73 73 ILE CB C 13 39.387 0.000 . 1 . . . . A 731 ILE CB . 18183 1 858 . 1 1 73 73 ILE CG1 C 13 26.596 0.000 . 1 . . . . A 731 ILE CG1 . 18183 1 859 . 1 1 73 73 ILE CG2 C 13 19.428 0.000 . 1 . . . . A 731 ILE CG2 . 18183 1 860 . 1 1 73 73 ILE CD1 C 13 14.006 0.000 . 1 . . . . A 731 ILE CD1 . 18183 1 861 . 1 1 73 73 ILE N N 15 112.363 0.036 . 1 . . . . A 731 ILE N . 18183 1 862 . 1 1 74 74 THR H H 1 8.421 0.004 . 1 . . . . A 732 THR H . 18183 1 863 . 1 1 74 74 THR HA H 1 4.679 0.003 . 1 . . . . A 732 THR HA . 18183 1 864 . 1 1 74 74 THR HB H 1 4.166 0.005 . 1 . . . . A 732 THR HB . 18183 1 865 . 1 1 74 74 THR HG21 H 1 1.147 0.006 . 1 . . . . A 732 THR HG21 . 18183 1 866 . 1 1 74 74 THR HG22 H 1 1.147 0.006 . 1 . . . . A 732 THR HG22 . 18183 1 867 . 1 1 74 74 THR HG23 H 1 1.147 0.006 . 1 . . . . A 732 THR HG23 . 18183 1 868 . 1 1 74 74 THR C C 13 173.467 0.000 . 1 . . . . A 732 THR C . 18183 1 869 . 1 1 74 74 THR CA C 13 59.795 0.053 . 1 . . . . A 732 THR CA . 18183 1 870 . 1 1 74 74 THR CB C 13 69.896 0.074 . 1 . . . . A 732 THR CB . 18183 1 871 . 1 1 74 74 THR CG2 C 13 21.060 0.000 . 1 . . . . A 732 THR CG2 . 18183 1 872 . 1 1 74 74 THR N N 15 117.292 0.050 . 1 . . . . A 732 THR N . 18183 1 873 . 1 1 75 75 GLU H H 1 8.615 0.005 . 1 . . . . A 733 GLU H . 18183 1 874 . 1 1 75 75 GLU HA H 1 2.974 0.004 . 1 . . . . A 733 GLU HA . 18183 1 875 . 1 1 75 75 GLU HB2 H 1 1.724 0.005 . 2 . . . . A 733 GLU HB2 . 18183 1 876 . 1 1 75 75 GLU HB3 H 1 1.724 0.005 . 2 . . . . A 733 GLU HB3 . 18183 1 877 . 1 1 75 75 GLU HG2 H 1 1.938 0.006 . 2 . . . . A 733 GLU HG2 . 18183 1 878 . 1 1 75 75 GLU HG3 H 1 2.031 0.002 . 2 . . . . A 733 GLU HG3 . 18183 1 879 . 1 1 75 75 GLU C C 13 175.819 0.002 . 1 . . . . A 733 GLU C . 18183 1 880 . 1 1 75 75 GLU CA C 13 58.898 0.038 . 1 . . . . A 733 GLU CA . 18183 1 881 . 1 1 75 75 GLU CB C 13 28.991 0.052 . 1 . . . . A 733 GLU CB . 18183 1 882 . 1 1 75 75 GLU CG C 13 36.292 0.000 . 1 . . . . A 733 GLU CG . 18183 1 883 . 1 1 75 75 GLU N N 15 123.689 0.033 . 1 . . . . A 733 GLU N . 18183 1 884 . 1 1 76 76 ALA H H 1 7.654 0.003 . 1 . . . . A 734 ALA H . 18183 1 885 . 1 1 76 76 ALA HA H 1 3.912 0.005 . 1 . . . . A 734 ALA HA . 18183 1 886 . 1 1 76 76 ALA HB1 H 1 1.188 0.006 . 1 . . . . A 734 ALA HB1 . 18183 1 887 . 1 1 76 76 ALA HB2 H 1 1.188 0.006 . 1 . . . . A 734 ALA HB2 . 18183 1 888 . 1 1 76 76 ALA HB3 H 1 1.188 0.006 . 1 . . . . A 734 ALA HB3 . 18183 1 889 . 1 1 76 76 ALA C C 13 177.024 0.002 . 1 . . . . A 734 ALA C . 18183 1 890 . 1 1 76 76 ALA CA C 13 53.262 0.024 . 1 . . . . A 734 ALA CA . 18183 1 891 . 1 1 76 76 ALA CB C 13 19.797 0.051 . 1 . . . . A 734 ALA CB . 18183 1 892 . 1 1 76 76 ALA N N 15 117.705 0.041 . 1 . . . . A 734 ALA N . 18183 1 893 . 1 1 77 77 LYS H H 1 7.214 0.004 . 1 . . . . A 735 LYS H . 18183 1 894 . 1 1 77 77 LYS HA H 1 4.091 0.005 . 1 . . . . A 735 LYS HA . 18183 1 895 . 1 1 77 77 LYS HB2 H 1 1.243 0.002 . 2 . . . . A 735 LYS HB2 . 18183 1 896 . 1 1 77 77 LYS HB3 H 1 1.401 0.006 . 2 . . . . A 735 LYS HB3 . 18183 1 897 . 1 1 77 77 LYS HG2 H 1 0.722 0.000 . 2 . . . . A 735 LYS HG2 . 18183 1 898 . 1 1 77 77 LYS HG3 H 1 0.633 0.002 . 2 . . . . A 735 LYS HG3 . 18183 1 899 . 1 1 77 77 LYS HD2 H 1 1.117 0.007 . 2 . . . . A 735 LYS HD2 . 18183 1 900 . 1 1 77 77 LYS HD3 H 1 1.117 0.007 . 2 . . . . A 735 LYS HD3 . 18183 1 901 . 1 1 77 77 LYS HE2 H 1 2.228 0.005 . 2 . . . . A 735 LYS HE2 . 18183 1 902 . 1 1 77 77 LYS HE3 H 1 2.228 0.005 . 2 . . . . A 735 LYS HE3 . 18183 1 903 . 1 1 77 77 LYS C C 13 172.048 0.006 . 1 . . . . A 735 LYS C . 18183 1 904 . 1 1 77 77 LYS CA C 13 54.373 0.098 . 1 . . . . A 735 LYS CA . 18183 1 905 . 1 1 77 77 LYS CB C 13 33.343 0.031 . 1 . . . . A 735 LYS CB . 18183 1 906 . 1 1 77 77 LYS CG C 13 23.888 0.000 . 1 . . . . A 735 LYS CG . 18183 1 907 . 1 1 77 77 LYS CD C 13 27.741 0.000 . 1 . . . . A 735 LYS CD . 18183 1 908 . 1 1 77 77 LYS CE C 13 41.686 0.000 . 1 . . . . A 735 LYS CE . 18183 1 909 . 1 1 77 77 LYS N N 15 119.239 0.013 . 1 . . . . A 735 LYS N . 18183 1 910 . 1 1 78 78 LYS H H 1 7.850 0.005 . 1 . . . . A 736 LYS H . 18183 1 911 . 1 1 78 78 LYS HA H 1 4.737 0.007 . 1 . . . . A 736 LYS HA . 18183 1 912 . 1 1 78 78 LYS HB2 H 1 1.252 0.007 . 2 . . . . A 736 LYS HB2 . 18183 1 913 . 1 1 78 78 LYS HB3 H 1 1.252 0.007 . 2 . . . . A 736 LYS HB3 . 18183 1 914 . 1 1 78 78 LYS HG2 H 1 0.712 0.007 . 2 . . . . A 736 LYS HG2 . 18183 1 915 . 1 1 78 78 LYS HG3 H 1 0.712 0.007 . 2 . . . . A 736 LYS HG3 . 18183 1 916 . 1 1 78 78 LYS HD2 H 1 0.638 0.000 . 2 . . . . A 736 LYS HD2 . 18183 1 917 . 1 1 78 78 LYS HD3 H 1 0.863 0.000 . 2 . . . . A 736 LYS HD3 . 18183 1 918 . 1 1 78 78 LYS HE2 H 1 1.990 0.005 . 2 . . . . A 736 LYS HE2 . 18183 1 919 . 1 1 78 78 LYS HE3 H 1 1.990 0.005 . 2 . . . . A 736 LYS HE3 . 18183 1 920 . 1 1 78 78 LYS C C 13 174.901 0.010 . 1 . . . . A 736 LYS C . 18183 1 921 . 1 1 78 78 LYS CA C 13 54.703 0.057 . 1 . . . . A 736 LYS CA . 18183 1 922 . 1 1 78 78 LYS CB C 13 35.093 0.015 . 1 . . . . A 736 LYS CB . 18183 1 923 . 1 1 78 78 LYS CG C 13 23.976 0.000 . 1 . . . . A 736 LYS CG . 18183 1 924 . 1 1 78 78 LYS CD C 13 28.663 0.000 . 1 . . . . A 736 LYS CD . 18183 1 925 . 1 1 78 78 LYS CE C 13 41.413 0.000 . 1 . . . . A 736 LYS CE . 18183 1 926 . 1 1 78 78 LYS N N 15 123.194 0.027 . 1 . . . . A 736 LYS N . 18183 1 927 . 1 1 79 79 PHE H H 1 9.079 0.004 . 1 . . . . A 737 PHE H . 18183 1 928 . 1 1 79 79 PHE HA H 1 4.926 0.006 . 1 . . . . A 737 PHE HA . 18183 1 929 . 1 1 79 79 PHE HB2 H 1 2.763 0.007 . 2 . . . . A 737 PHE HB2 . 18183 1 930 . 1 1 79 79 PHE HB3 H 1 3.281 0.006 . 2 . . . . A 737 PHE HB3 . 18183 1 931 . 1 1 79 79 PHE HD1 H 1 7.239 0.007 . 3 . . . . A 737 PHE HD1 . 18183 1 932 . 1 1 79 79 PHE HD2 H 1 7.239 0.007 . 3 . . . . A 737 PHE HD2 . 18183 1 933 . 1 1 79 79 PHE HE1 H 1 6.949 0.004 . 3 . . . . A 737 PHE HE1 . 18183 1 934 . 1 1 79 79 PHE HE2 H 1 6.949 0.004 . 3 . . . . A 737 PHE HE2 . 18183 1 935 . 1 1 79 79 PHE C C 13 175.500 0.015 . 1 . . . . A 737 PHE C . 18183 1 936 . 1 1 79 79 PHE CA C 13 56.913 0.054 . 1 . . . . A 737 PHE CA . 18183 1 937 . 1 1 79 79 PHE CB C 13 43.468 0.012 . 1 . . . . A 737 PHE CB . 18183 1 938 . 1 1 79 79 PHE N N 15 117.645 0.061 . 1 . . . . A 737 PHE N . 18183 1 939 . 1 1 80 80 ASP H H 1 9.332 0.003 . 1 . . . . A 738 ASP H . 18183 1 940 . 1 1 80 80 ASP HA H 1 4.717 0.005 . 1 . . . . A 738 ASP HA . 18183 1 941 . 1 1 80 80 ASP HB2 H 1 2.619 0.004 . 2 . . . . A 738 ASP HB2 . 18183 1 942 . 1 1 80 80 ASP HB3 H 1 2.817 0.003 . 2 . . . . A 738 ASP HB3 . 18183 1 943 . 1 1 80 80 ASP C C 13 176.014 0.002 . 1 . . . . A 738 ASP C . 18183 1 944 . 1 1 80 80 ASP CA C 13 55.645 0.017 . 1 . . . . A 738 ASP CA . 18183 1 945 . 1 1 80 80 ASP CB C 13 41.720 0.056 . 1 . . . . A 738 ASP CB . 18183 1 946 . 1 1 80 80 ASP N N 15 119.264 0.035 . 1 . . . . A 738 ASP N . 18183 1 947 . 1 1 81 81 SER H H 1 7.379 0.005 . 1 . . . . A 739 SER H . 18183 1 948 . 1 1 81 81 SER HA H 1 4.649 0.003 . 1 . . . . A 739 SER HA . 18183 1 949 . 1 1 81 81 SER HB2 H 1 3.995 0.009 . 2 . . . . A 739 SER HB2 . 18183 1 950 . 1 1 81 81 SER HB3 H 1 4.087 0.008 . 2 . . . . A 739 SER HB3 . 18183 1 951 . 1 1 81 81 SER HG H 1 5.331 0.000 . 1 . . . . A 739 SER HG . 18183 1 952 . 1 1 81 81 SER C C 13 173.719 0.023 . 1 . . . . A 739 SER C . 18183 1 953 . 1 1 81 81 SER CA C 13 57.148 0.067 . 1 . . . . A 739 SER CA . 18183 1 954 . 1 1 81 81 SER CB C 13 66.475 0.023 . 1 . . . . A 739 SER CB . 18183 1 955 . 1 1 81 81 SER N N 15 108.541 0.021 . 1 . . . . A 739 SER N . 18183 1 956 . 1 1 82 82 LEU H H 1 8.939 0.004 . 1 . . . . A 740 LEU H . 18183 1 957 . 1 1 82 82 LEU HA H 1 3.756 0.005 . 1 . . . . A 740 LEU HA . 18183 1 958 . 1 1 82 82 LEU HB2 H 1 0.961 0.007 . 2 . . . . A 740 LEU HB2 . 18183 1 959 . 1 1 82 82 LEU HB3 H 1 1.413 0.007 . 2 . . . . A 740 LEU HB3 . 18183 1 960 . 1 1 82 82 LEU HG H 1 0.941 0.006 . 1 . . . . A 740 LEU HG . 18183 1 961 . 1 1 82 82 LEU HD11 H 1 0.226 0.006 . 2 . . . . A 740 LEU HD11 . 18183 1 962 . 1 1 82 82 LEU HD12 H 1 0.226 0.006 . 2 . . . . A 740 LEU HD12 . 18183 1 963 . 1 1 82 82 LEU HD13 H 1 0.226 0.006 . 2 . . . . A 740 LEU HD13 . 18183 1 964 . 1 1 82 82 LEU HD21 H 1 -0.442 0.004 . 2 . . . . A 740 LEU HD21 . 18183 1 965 . 1 1 82 82 LEU HD22 H 1 -0.442 0.004 . 2 . . . . A 740 LEU HD22 . 18183 1 966 . 1 1 82 82 LEU HD23 H 1 -0.442 0.004 . 2 . . . . A 740 LEU HD23 . 18183 1 967 . 1 1 82 82 LEU C C 13 177.267 0.013 . 1 . . . . A 740 LEU C . 18183 1 968 . 1 1 82 82 LEU CA C 13 57.834 0.000 . 1 . . . . A 740 LEU CA . 18183 1 969 . 1 1 82 82 LEU CB C 13 40.583 0.006 . 1 . . . . A 740 LEU CB . 18183 1 970 . 1 1 82 82 LEU CG C 13 25.974 0.000 . 1 . . . . A 740 LEU CG . 18183 1 971 . 1 1 82 82 LEU CD1 C 13 23.412 0.000 . 2 . . . . A 740 LEU CD1 . 18183 1 972 . 1 1 82 82 LEU CD2 C 13 22.430 0.000 . 2 . . . . A 740 LEU CD2 . 18183 1 973 . 1 1 82 82 LEU N N 15 122.926 0.027 . 1 . . . . A 740 LEU N . 18183 1 974 . 1 1 83 83 LEU H H 1 7.814 0.005 . 1 . . . . A 741 LEU H . 18183 1 975 . 1 1 83 83 LEU HA H 1 3.775 0.006 . 1 . . . . A 741 LEU HA . 18183 1 976 . 1 1 83 83 LEU HB2 H 1 1.684 0.001 . 2 . . . . A 741 LEU HB2 . 18183 1 977 . 1 1 83 83 LEU HB3 H 1 1.574 0.002 . 2 . . . . A 741 LEU HB3 . 18183 1 978 . 1 1 83 83 LEU HG H 1 1.555 0.005 . 1 . . . . A 741 LEU HG . 18183 1 979 . 1 1 83 83 LEU HD11 H 1 0.843 0.007 . 2 . . . . A 741 LEU HD11 . 18183 1 980 . 1 1 83 83 LEU HD12 H 1 0.843 0.007 . 2 . . . . A 741 LEU HD12 . 18183 1 981 . 1 1 83 83 LEU HD13 H 1 0.843 0.007 . 2 . . . . A 741 LEU HD13 . 18183 1 982 . 1 1 83 83 LEU HD21 H 1 0.843 0.007 . 2 . . . . A 741 LEU HD21 . 18183 1 983 . 1 1 83 83 LEU HD22 H 1 0.843 0.007 . 2 . . . . A 741 LEU HD22 . 18183 1 984 . 1 1 83 83 LEU HD23 H 1 0.843 0.007 . 2 . . . . A 741 LEU HD23 . 18183 1 985 . 1 1 83 83 LEU C C 13 177.528 0.026 . 1 . . . . A 741 LEU C . 18183 1 986 . 1 1 83 83 LEU CA C 13 58.139 0.029 . 1 . . . . A 741 LEU CA . 18183 1 987 . 1 1 83 83 LEU CB C 13 41.677 0.085 . 1 . . . . A 741 LEU CB . 18183 1 988 . 1 1 83 83 LEU CG C 13 26.871 0.000 . 1 . . . . A 741 LEU CG . 18183 1 989 . 1 1 83 83 LEU CD1 C 13 24.422 0.000 . 2 . . . . A 741 LEU CD1 . 18183 1 990 . 1 1 83 83 LEU CD2 C 13 24.422 0.000 . 2 . . . . A 741 LEU CD2 . 18183 1 991 . 1 1 83 83 LEU N N 15 116.722 0.088 . 1 . . . . A 741 LEU N . 18183 1 992 . 1 1 84 84 GLU H H 1 7.541 0.004 . 1 . . . . A 742 GLU H . 18183 1 993 . 1 1 84 84 GLU HA H 1 3.867 0.007 . 1 . . . . A 742 GLU HA . 18183 1 994 . 1 1 84 84 GLU HB2 H 1 2.084 0.005 . 2 . . . . A 742 GLU HB2 . 18183 1 995 . 1 1 84 84 GLU HB3 H 1 2.244 0.004 . 2 . . . . A 742 GLU HB3 . 18183 1 996 . 1 1 84 84 GLU HG2 H 1 2.369 0.007 . 2 . . . . A 742 GLU HG2 . 18183 1 997 . 1 1 84 84 GLU HG3 H 1 2.369 0.007 . 2 . . . . A 742 GLU HG3 . 18183 1 998 . 1 1 84 84 GLU C C 13 178.282 0.005 . 1 . . . . A 742 GLU C . 18183 1 999 . 1 1 84 84 GLU CA C 13 59.139 0.000 . 1 . . . . A 742 GLU CA . 18183 1 1000 . 1 1 84 84 GLU CB C 13 30.433 0.066 . 1 . . . . A 742 GLU CB . 18183 1 1001 . 1 1 84 84 GLU CG C 13 37.273 0.000 . 1 . . . . A 742 GLU CG . 18183 1 1002 . 1 1 84 84 GLU N N 15 116.747 0.033 . 1 . . . . A 742 GLU N . 18183 1 1003 . 1 1 85 85 LEU H H 1 7.076 0.004 . 1 . . . . A 743 LEU H . 18183 1 1004 . 1 1 85 85 LEU HA H 1 1.963 0.007 . 1 . . . . A 743 LEU HA . 18183 1 1005 . 1 1 85 85 LEU HB2 H 1 1.120 0.005 . 2 . . . . A 743 LEU HB2 . 18183 1 1006 . 1 1 85 85 LEU HB3 H 1 1.633 0.005 . 2 . . . . A 743 LEU HB3 . 18183 1 1007 . 1 1 85 85 LEU HG H 1 1.448 0.008 . 1 . . . . A 743 LEU HG . 18183 1 1008 . 1 1 85 85 LEU HD11 H 1 0.924 0.005 . 2 . . . . A 743 LEU HD11 . 18183 1 1009 . 1 1 85 85 LEU HD12 H 1 0.924 0.005 . 2 . . . . A 743 LEU HD12 . 18183 1 1010 . 1 1 85 85 LEU HD13 H 1 0.924 0.005 . 2 . . . . A 743 LEU HD13 . 18183 1 1011 . 1 1 85 85 LEU HD21 H 1 0.534 0.005 . 2 . . . . A 743 LEU HD21 . 18183 1 1012 . 1 1 85 85 LEU HD22 H 1 0.534 0.005 . 2 . . . . A 743 LEU HD22 . 18183 1 1013 . 1 1 85 85 LEU HD23 H 1 0.534 0.005 . 2 . . . . A 743 LEU HD23 . 18183 1 1014 . 1 1 85 85 LEU C C 13 177.315 0.006 . 1 . . . . A 743 LEU C . 18183 1 1015 . 1 1 85 85 LEU CA C 13 58.739 0.055 . 1 . . . . A 743 LEU CA . 18183 1 1016 . 1 1 85 85 LEU CB C 13 41.715 0.046 . 1 . . . . A 743 LEU CB . 18183 1 1017 . 1 1 85 85 LEU CD1 C 13 28.840 0.000 . 2 . . . . A 743 LEU CD1 . 18183 1 1018 . 1 1 85 85 LEU CD2 C 13 24.728 0.000 . 2 . . . . A 743 LEU CD2 . 18183 1 1019 . 1 1 85 85 LEU N N 15 122.157 0.023 . 1 . . . . A 743 LEU N . 18183 1 1020 . 1 1 86 86 VAL H H 1 8.116 0.009 . 1 . . . . A 744 VAL H . 18183 1 1021 . 1 1 86 86 VAL HA H 1 2.790 0.006 . 1 . . . . A 744 VAL HA . 18183 1 1022 . 1 1 86 86 VAL HB H 1 1.353 0.005 . 1 . . . . A 744 VAL HB . 18183 1 1023 . 1 1 86 86 VAL HG11 H 1 -0.113 0.005 . 2 . . . . A 744 VAL HG11 . 18183 1 1024 . 1 1 86 86 VAL HG12 H 1 -0.113 0.005 . 2 . . . . A 744 VAL HG12 . 18183 1 1025 . 1 1 86 86 VAL HG13 H 1 -0.113 0.005 . 2 . . . . A 744 VAL HG13 . 18183 1 1026 . 1 1 86 86 VAL HG21 H 1 -0.232 0.006 . 2 . . . . A 744 VAL HG21 . 18183 1 1027 . 1 1 86 86 VAL HG22 H 1 -0.232 0.006 . 2 . . . . A 744 VAL HG22 . 18183 1 1028 . 1 1 86 86 VAL HG23 H 1 -0.232 0.006 . 2 . . . . A 744 VAL HG23 . 18183 1 1029 . 1 1 86 86 VAL C C 13 177.621 0.012 . 1 . . . . A 744 VAL C . 18183 1 1030 . 1 1 86 86 VAL CA C 13 66.844 0.002 . 1 . . . . A 744 VAL CA . 18183 1 1031 . 1 1 86 86 VAL CB C 13 30.965 0.000 . 1 . . . . A 744 VAL CB . 18183 1 1032 . 1 1 86 86 VAL CG1 C 13 22.660 0.028 . 2 . . . . A 744 VAL CG1 . 18183 1 1033 . 1 1 86 86 VAL CG2 C 13 19.944 0.000 . 2 . . . . A 744 VAL CG2 . 18183 1 1034 . 1 1 86 86 VAL N N 15 119.754 0.027 . 1 . . . . A 744 VAL N . 18183 1 1035 . 1 1 87 87 GLU H H 1 8.168 0.004 . 1 . . . . A 745 GLU H . 18183 1 1036 . 1 1 87 87 GLU HA H 1 3.715 0.007 . 1 . . . . A 745 GLU HA . 18183 1 1037 . 1 1 87 87 GLU HB2 H 1 1.837 0.003 . 2 . . . . A 745 GLU HB2 . 18183 1 1038 . 1 1 87 87 GLU HB3 H 1 1.942 0.005 . 2 . . . . A 745 GLU HB3 . 18183 1 1039 . 1 1 87 87 GLU HG2 H 1 2.081 0.002 . 2 . . . . A 745 GLU HG2 . 18183 1 1040 . 1 1 87 87 GLU HG3 H 1 2.511 0.004 . 2 . . . . A 745 GLU HG3 . 18183 1 1041 . 1 1 87 87 GLU C C 13 179.560 0.007 . 1 . . . . A 745 GLU C . 18183 1 1042 . 1 1 87 87 GLU CA C 13 59.322 0.050 . 1 . . . . A 745 GLU CA . 18183 1 1043 . 1 1 87 87 GLU CB C 13 29.086 0.078 . 1 . . . . A 745 GLU CB . 18183 1 1044 . 1 1 87 87 GLU CG C 13 36.728 0.000 . 1 . . . . A 745 GLU CG . 18183 1 1045 . 1 1 87 87 GLU N N 15 116.169 0.025 . 1 . . . . A 745 GLU N . 18183 1 1046 . 1 1 88 88 TYR H H 1 7.774 0.005 . 1 . . . . A 746 TYR H . 18183 1 1047 . 1 1 88 88 TYR HA H 1 4.093 0.008 . 1 . . . . A 746 TYR HA . 18183 1 1048 . 1 1 88 88 TYR HB2 H 1 2.538 0.002 . 2 . . . . A 746 TYR HB2 . 18183 1 1049 . 1 1 88 88 TYR HB3 H 1 2.799 0.005 . 2 . . . . A 746 TYR HB3 . 18183 1 1050 . 1 1 88 88 TYR HD1 H 1 6.864 0.000 . 3 . . . . A 746 TYR HD1 . 18183 1 1051 . 1 1 88 88 TYR HD2 H 1 6.864 0.000 . 3 . . . . A 746 TYR HD2 . 18183 1 1052 . 1 1 88 88 TYR HE1 H 1 6.121 0.003 . 3 . . . . A 746 TYR HE1 . 18183 1 1053 . 1 1 88 88 TYR HE2 H 1 6.121 0.003 . 3 . . . . A 746 TYR HE2 . 18183 1 1054 . 1 1 88 88 TYR C C 13 180.010 0.015 . 1 . . . . A 746 TYR C . 18183 1 1055 . 1 1 88 88 TYR CA C 13 62.594 0.020 . 1 . . . . A 746 TYR CA . 18183 1 1056 . 1 1 88 88 TYR CB C 13 38.828 0.018 . 1 . . . . A 746 TYR CB . 18183 1 1057 . 1 1 88 88 TYR N N 15 120.022 0.025 . 1 . . . . A 746 TYR N . 18183 1 1058 . 1 1 89 89 TYR H H 1 7.782 0.005 . 1 . . . . A 747 TYR H . 18183 1 1059 . 1 1 89 89 TYR HA H 1 5.055 0.008 . 1 . . . . A 747 TYR HA . 18183 1 1060 . 1 1 89 89 TYR HB2 H 1 2.371 0.005 . 2 . . . . A 747 TYR HB2 . 18183 1 1061 . 1 1 89 89 TYR HB3 H 1 3.257 0.006 . 2 . . . . A 747 TYR HB3 . 18183 1 1062 . 1 1 89 89 TYR HD1 H 1 7.169 0.007 . 3 . . . . A 747 TYR HD1 . 18183 1 1063 . 1 1 89 89 TYR HD2 H 1 7.169 0.007 . 3 . . . . A 747 TYR HD2 . 18183 1 1064 . 1 1 89 89 TYR HE1 H 1 6.835 0.000 . 3 . . . . A 747 TYR HE1 . 18183 1 1065 . 1 1 89 89 TYR HE2 H 1 6.835 0.000 . 3 . . . . A 747 TYR HE2 . 18183 1 1066 . 1 1 89 89 TYR C C 13 175.796 0.000 . 1 . . . . A 747 TYR C . 18183 1 1067 . 1 1 89 89 TYR CA C 13 61.137 0.055 . 1 . . . . A 747 TYR CA . 18183 1 1068 . 1 1 89 89 TYR CB C 13 36.930 0.059 . 1 . . . . A 747 TYR CB . 18183 1 1069 . 1 1 89 89 TYR N N 15 118.480 0.038 . 1 . . . . A 747 TYR N . 18183 1 1070 . 1 1 90 90 GLN H H 1 7.838 0.004 . 1 . . . . A 748 GLN H . 18183 1 1071 . 1 1 90 90 GLN HA H 1 4.389 0.008 . 1 . . . . A 748 GLN HA . 18183 1 1072 . 1 1 90 90 GLN HB2 H 1 1.906 0.012 . 2 . . . . A 748 GLN HB2 . 18183 1 1073 . 1 1 90 90 GLN HB3 H 1 2.298 0.008 . 2 . . . . A 748 GLN HB3 . 18183 1 1074 . 1 1 90 90 GLN HG2 H 1 2.528 0.004 . 2 . . . . A 748 GLN HG2 . 18183 1 1075 . 1 1 90 90 GLN HG3 H 1 2.677 0.003 . 2 . . . . A 748 GLN HG3 . 18183 1 1076 . 1 1 90 90 GLN HE21 H 1 7.039 0.002 . 2 . . . . A 748 GLN HE21 . 18183 1 1077 . 1 1 90 90 GLN HE22 H 1 6.537 0.003 . 2 . . . . A 748 GLN HE22 . 18183 1 1078 . 1 1 90 90 GLN C C 13 177.777 0.023 . 1 . . . . A 748 GLN C . 18183 1 1079 . 1 1 90 90 GLN CA C 13 57.717 0.014 . 1 . . . . A 748 GLN CA . 18183 1 1080 . 1 1 90 90 GLN CB C 13 28.520 0.074 . 1 . . . . A 748 GLN CB . 18183 1 1081 . 1 1 90 90 GLN CG C 13 33.153 0.000 . 1 . . . . A 748 GLN CG . 18183 1 1082 . 1 1 90 90 GLN N N 15 118.696 0.044 . 1 . . . . A 748 GLN N . 18183 1 1083 . 1 1 90 90 GLN NE2 N 15 108.691 0.054 . 1 . . . . A 748 GLN NE2 . 18183 1 1084 . 1 1 91 91 CYS H H 1 7.145 0.004 . 1 . . . . A 749 CYS H . 18183 1 1085 . 1 1 91 91 CYS HA H 1 4.602 0.005 . 1 . . . . A 749 CYS HA . 18183 1 1086 . 1 1 91 91 CYS HB2 H 1 2.645 0.005 . 2 . . . . A 749 CYS HB2 . 18183 1 1087 . 1 1 91 91 CYS HB3 H 1 2.645 0.005 . 2 . . . . A 749 CYS HB3 . 18183 1 1088 . 1 1 91 91 CYS C C 13 172.887 0.012 . 1 . . . . A 749 CYS C . 18183 1 1089 . 1 1 91 91 CYS CA C 13 57.434 0.053 . 1 . . . . A 749 CYS CA . 18183 1 1090 . 1 1 91 91 CYS CB C 13 29.266 0.040 . 1 . . . . A 749 CYS CB . 18183 1 1091 . 1 1 91 91 CYS N N 15 111.118 0.036 . 1 . . . . A 749 CYS N . 18183 1 1092 . 1 1 92 92 HIS H H 1 7.470 0.005 . 1 . . . . A 750 HIS H . 18183 1 1093 . 1 1 92 92 HIS HA H 1 4.332 0.008 . 1 . . . . A 750 HIS HA . 18183 1 1094 . 1 1 92 92 HIS HB2 H 1 1.999 0.006 . 2 . . . . A 750 HIS HB2 . 18183 1 1095 . 1 1 92 92 HIS HB3 H 1 2.851 0.009 . 2 . . . . A 750 HIS HB3 . 18183 1 1096 . 1 1 92 92 HIS HD2 H 1 6.847 0.000 . 1 . . . . A 750 HIS HD2 . 18183 1 1097 . 1 1 92 92 HIS C C 13 171.842 0.012 . 1 . . . . A 750 HIS C . 18183 1 1098 . 1 1 92 92 HIS CA C 13 55.077 0.040 . 1 . . . . A 750 HIS CA . 18183 1 1099 . 1 1 92 92 HIS CB C 13 29.376 0.084 . 1 . . . . A 750 HIS CB . 18183 1 1100 . 1 1 92 92 HIS N N 15 120.227 0.015 . 1 . . . . A 750 HIS N . 18183 1 1101 . 1 1 93 93 SER H H 1 8.404 0.003 . 1 . . . . A 751 SER H . 18183 1 1102 . 1 1 93 93 SER HA H 1 3.782 0.005 . 1 . . . . A 751 SER HA . 18183 1 1103 . 1 1 93 93 SER HB2 H 1 3.615 0.004 . 2 . . . . A 751 SER HB2 . 18183 1 1104 . 1 1 93 93 SER HB3 H 1 3.921 0.006 . 2 . . . . A 751 SER HB3 . 18183 1 1105 . 1 1 93 93 SER C C 13 176.653 0.011 . 1 . . . . A 751 SER C . 18183 1 1106 . 1 1 93 93 SER CA C 13 57.812 0.016 . 1 . . . . A 751 SER CA . 18183 1 1107 . 1 1 93 93 SER CB C 13 62.783 0.058 . 1 . . . . A 751 SER CB . 18183 1 1108 . 1 1 93 93 SER N N 15 113.120 0.042 . 1 . . . . A 751 SER N . 18183 1 1109 . 1 1 94 94 LEU H H 1 8.553 0.004 . 1 . . . . A 752 LEU H . 18183 1 1110 . 1 1 94 94 LEU HA H 1 4.069 0.005 . 1 . . . . A 752 LEU HA . 18183 1 1111 . 1 1 94 94 LEU HB2 H 1 2.216 0.006 . 2 . . . . A 752 LEU HB2 . 18183 1 1112 . 1 1 94 94 LEU HB3 H 1 2.216 0.006 . 2 . . . . A 752 LEU HB3 . 18183 1 1113 . 1 1 94 94 LEU HG H 1 1.551 0.008 . 1 . . . . A 752 LEU HG . 18183 1 1114 . 1 1 94 94 LEU HD11 H 1 0.495 0.009 . 2 . . . . A 752 LEU HD11 . 18183 1 1115 . 1 1 94 94 LEU HD12 H 1 0.495 0.009 . 2 . . . . A 752 LEU HD12 . 18183 1 1116 . 1 1 94 94 LEU HD13 H 1 0.495 0.009 . 2 . . . . A 752 LEU HD13 . 18183 1 1117 . 1 1 94 94 LEU HD21 H 1 0.193 0.007 . 2 . . . . A 752 LEU HD21 . 18183 1 1118 . 1 1 94 94 LEU HD22 H 1 0.193 0.007 . 2 . . . . A 752 LEU HD22 . 18183 1 1119 . 1 1 94 94 LEU HD23 H 1 0.193 0.007 . 2 . . . . A 752 LEU HD23 . 18183 1 1120 . 1 1 94 94 LEU C C 13 177.524 0.000 . 1 . . . . A 752 LEU C . 18183 1 1121 . 1 1 94 94 LEU CA C 13 57.396 0.000 . 1 . . . . A 752 LEU CA . 18183 1 1122 . 1 1 94 94 LEU CB C 13 42.487 0.000 . 1 . . . . A 752 LEU CB . 18183 1 1123 . 1 1 94 94 LEU CG C 13 28.417 0.000 . 1 . . . . A 752 LEU CG . 18183 1 1124 . 1 1 94 94 LEU CD1 C 13 25.613 0.000 . 2 . . . . A 752 LEU CD1 . 18183 1 1125 . 1 1 94 94 LEU CD2 C 13 24.074 0.000 . 2 . . . . A 752 LEU CD2 . 18183 1 1126 . 1 1 94 94 LEU N N 15 127.293 0.037 . 1 . . . . A 752 LEU N . 18183 1 1127 . 1 1 95 95 LYS H H 1 8.303 0.008 . 1 . . . . A 753 LYS H . 18183 1 1128 . 1 1 95 95 LYS HA H 1 4.328 0.006 . 1 . . . . A 753 LYS HA . 18183 1 1129 . 1 1 95 95 LYS HB2 H 1 1.375 0.006 . 2 . . . . A 753 LYS HB2 . 18183 1 1130 . 1 1 95 95 LYS HB3 H 1 1.716 0.004 . 2 . . . . A 753 LYS HB3 . 18183 1 1131 . 1 1 95 95 LYS HG2 H 1 1.235 0.009 . 2 . . . . A 753 LYS HG2 . 18183 1 1132 . 1 1 95 95 LYS HG3 H 1 1.235 0.009 . 2 . . . . A 753 LYS HG3 . 18183 1 1133 . 1 1 95 95 LYS HD2 H 1 1.431 0.008 . 2 . . . . A 753 LYS HD2 . 18183 1 1134 . 1 1 95 95 LYS HD3 H 1 1.431 0.008 . 2 . . . . A 753 LYS HD3 . 18183 1 1135 . 1 1 95 95 LYS HE2 H 1 2.856 0.006 . 2 . . . . A 753 LYS HE2 . 18183 1 1136 . 1 1 95 95 LYS HE3 H 1 2.856 0.006 . 2 . . . . A 753 LYS HE3 . 18183 1 1137 . 1 1 95 95 LYS C C 13 176.426 0.000 . 1 . . . . A 753 LYS C . 18183 1 1138 . 1 1 95 95 LYS CA C 13 57.554 0.010 . 1 . . . . A 753 LYS CA . 18183 1 1139 . 1 1 95 95 LYS CB C 13 32.174 0.000 . 1 . . . . A 753 LYS CB . 18183 1 1140 . 1 1 95 95 LYS CG C 13 24.315 0.000 . 1 . . . . A 753 LYS CG . 18183 1 1141 . 1 1 95 95 LYS CD C 13 29.351 0.000 . 1 . . . . A 753 LYS CD . 18183 1 1142 . 1 1 95 95 LYS CE C 13 42.084 0.000 . 1 . . . . A 753 LYS CE . 18183 1 1143 . 1 1 95 95 LYS N N 15 122.249 0.050 . 1 . . . . A 753 LYS N . 18183 1 1144 . 1 1 96 96 GLU H H 1 7.188 0.005 . 1 . . . . A 754 GLU H . 18183 1 1145 . 1 1 96 96 GLU HA H 1 4.085 0.005 . 1 . . . . A 754 GLU HA . 18183 1 1146 . 1 1 96 96 GLU HB2 H 1 2.143 0.004 . 2 . . . . A 754 GLU HB2 . 18183 1 1147 . 1 1 96 96 GLU HB3 H 1 2.143 0.004 . 2 . . . . A 754 GLU HB3 . 18183 1 1148 . 1 1 96 96 GLU HG2 H 1 2.369 0.007 . 2 . . . . A 754 GLU HG2 . 18183 1 1149 . 1 1 96 96 GLU HG3 H 1 2.501 0.007 . 2 . . . . A 754 GLU HG3 . 18183 1 1150 . 1 1 96 96 GLU C C 13 176.838 0.008 . 1 . . . . A 754 GLU C . 18183 1 1151 . 1 1 96 96 GLU CA C 13 58.097 0.022 . 1 . . . . A 754 GLU CA . 18183 1 1152 . 1 1 96 96 GLU CB C 13 29.500 0.061 . 1 . . . . A 754 GLU CB . 18183 1 1153 . 1 1 96 96 GLU CG C 13 34.912 0.000 . 1 . . . . A 754 GLU CG . 18183 1 1154 . 1 1 96 96 GLU N N 15 115.401 0.037 . 1 . . . . A 754 GLU N . 18183 1 1155 . 1 1 97 97 SER H H 1 7.838 0.003 . 1 . . . . A 755 SER H . 18183 1 1156 . 1 1 97 97 SER HA H 1 4.402 0.007 . 1 . . . . A 755 SER HA . 18183 1 1157 . 1 1 97 97 SER HB2 H 1 3.317 0.005 . 2 . . . . A 755 SER HB2 . 18183 1 1158 . 1 1 97 97 SER HB3 H 1 3.317 0.005 . 2 . . . . A 755 SER HB3 . 18183 1 1159 . 1 1 97 97 SER C C 13 172.067 0.004 . 1 . . . . A 755 SER C . 18183 1 1160 . 1 1 97 97 SER CA C 13 59.448 0.087 . 1 . . . . A 755 SER CA . 18183 1 1161 . 1 1 97 97 SER CB C 13 65.680 0.030 . 1 . . . . A 755 SER CB . 18183 1 1162 . 1 1 97 97 SER N N 15 113.852 0.030 . 1 . . . . A 755 SER N . 18183 1 1163 . 1 1 98 98 PHE H H 1 8.223 0.003 . 1 . . . . A 756 PHE H . 18183 1 1164 . 1 1 98 98 PHE HA H 1 4.570 0.006 . 1 . . . . A 756 PHE HA . 18183 1 1165 . 1 1 98 98 PHE HB2 H 1 2.631 0.007 . 2 . . . . A 756 PHE HB2 . 18183 1 1166 . 1 1 98 98 PHE HB3 H 1 2.909 0.004 . 2 . . . . A 756 PHE HB3 . 18183 1 1167 . 1 1 98 98 PHE HD1 H 1 7.171 0.004 . 3 . . . . A 756 PHE HD1 . 18183 1 1168 . 1 1 98 98 PHE HD2 H 1 7.171 0.004 . 3 . . . . A 756 PHE HD2 . 18183 1 1169 . 1 1 98 98 PHE HE1 H 1 7.159 0.006 . 3 . . . . A 756 PHE HE1 . 18183 1 1170 . 1 1 98 98 PHE HE2 H 1 7.159 0.006 . 3 . . . . A 756 PHE HE2 . 18183 1 1171 . 1 1 98 98 PHE C C 13 174.941 0.000 . 1 . . . . A 756 PHE C . 18183 1 1172 . 1 1 98 98 PHE CA C 13 56.748 0.024 . 1 . . . . A 756 PHE CA . 18183 1 1173 . 1 1 98 98 PHE CB C 13 40.281 0.000 . 1 . . . . A 756 PHE CB . 18183 1 1174 . 1 1 98 98 PHE N N 15 121.742 0.030 . 1 . . . . A 756 PHE N . 18183 1 1175 . 1 1 99 99 LYS H H 1 8.388 0.003 . 1 . . . . A 757 LYS H . 18183 1 1176 . 1 1 99 99 LYS HA H 1 4.071 0.004 . 1 . . . . A 757 LYS HA . 18183 1 1177 . 1 1 99 99 LYS HB2 H 1 1.732 0.004 . 2 . . . . A 757 LYS HB2 . 18183 1 1178 . 1 1 99 99 LYS HB3 H 1 1.732 0.004 . 2 . . . . A 757 LYS HB3 . 18183 1 1179 . 1 1 99 99 LYS HG2 H 1 1.381 0.004 . 2 . . . . A 757 LYS HG2 . 18183 1 1180 . 1 1 99 99 LYS HG3 H 1 1.381 0.004 . 2 . . . . A 757 LYS HG3 . 18183 1 1181 . 1 1 99 99 LYS HD2 H 1 1.624 0.000 . 2 . . . . A 757 LYS HD2 . 18183 1 1182 . 1 1 99 99 LYS HD3 H 1 1.624 0.000 . 2 . . . . A 757 LYS HD3 . 18183 1 1183 . 1 1 99 99 LYS HE2 H 1 2.917 0.000 . 2 . . . . A 757 LYS HE2 . 18183 1 1184 . 1 1 99 99 LYS HE3 H 1 2.917 0.000 . 2 . . . . A 757 LYS HE3 . 18183 1 1185 . 1 1 99 99 LYS C C 13 176.793 0.003 . 1 . . . . A 757 LYS C . 18183 1 1186 . 1 1 99 99 LYS CA C 13 59.157 0.064 . 1 . . . . A 757 LYS CA . 18183 1 1187 . 1 1 99 99 LYS CB C 13 32.333 0.072 . 1 . . . . A 757 LYS CB . 18183 1 1188 . 1 1 99 99 LYS CG C 13 24.594 0.000 . 1 . . . . A 757 LYS CG . 18183 1 1189 . 1 1 99 99 LYS CD C 13 28.785 0.000 . 1 . . . . A 757 LYS CD . 18183 1 1190 . 1 1 99 99 LYS CE C 13 41.902 0.000 . 1 . . . . A 757 LYS CE . 18183 1 1191 . 1 1 99 99 LYS N N 15 122.713 0.063 . 1 . . . . A 757 LYS N . 18183 1 1192 . 1 1 100 100 GLN H H 1 8.662 0.004 . 1 . . . . A 758 GLN H . 18183 1 1193 . 1 1 100 100 GLN HA H 1 4.161 0.004 . 1 . . . . A 758 GLN HA . 18183 1 1194 . 1 1 100 100 GLN HB2 H 1 1.988 0.004 . 2 . . . . A 758 GLN HB2 . 18183 1 1195 . 1 1 100 100 GLN HB3 H 1 2.234 0.005 . 2 . . . . A 758 GLN HB3 . 18183 1 1196 . 1 1 100 100 GLN HG2 H 1 2.341 0.007 . 2 . . . . A 758 GLN HG2 . 18183 1 1197 . 1 1 100 100 GLN HG3 H 1 2.341 0.007 . 2 . . . . A 758 GLN HG3 . 18183 1 1198 . 1 1 100 100 GLN HE21 H 1 7.599 0.001 . 2 . . . . A 758 GLN HE21 . 18183 1 1199 . 1 1 100 100 GLN HE22 H 1 6.922 0.000 . 2 . . . . A 758 GLN HE22 . 18183 1 1200 . 1 1 100 100 GLN C C 13 175.591 0.007 . 1 . . . . A 758 GLN C . 18183 1 1201 . 1 1 100 100 GLN CA C 13 56.469 0.004 . 1 . . . . A 758 GLN CA . 18183 1 1202 . 1 1 100 100 GLN CB C 13 27.987 0.020 . 1 . . . . A 758 GLN CB . 18183 1 1203 . 1 1 100 100 GLN CG C 13 34.032 0.000 . 1 . . . . A 758 GLN CG . 18183 1 1204 . 1 1 100 100 GLN N N 15 114.972 0.028 . 1 . . . . A 758 GLN N . 18183 1 1205 . 1 1 100 100 GLN NE2 N 15 112.168 0.028 . 1 . . . . A 758 GLN NE2 . 18183 1 1206 . 1 1 101 101 LEU H H 1 7.884 0.004 . 1 . . . . A 759 LEU H . 18183 1 1207 . 1 1 101 101 LEU HA H 1 3.679 0.004 . 1 . . . . A 759 LEU HA . 18183 1 1208 . 1 1 101 101 LEU HB2 H 1 1.055 0.006 . 2 . . . . A 759 LEU HB2 . 18183 1 1209 . 1 1 101 101 LEU HB3 H 1 1.429 0.007 . 2 . . . . A 759 LEU HB3 . 18183 1 1210 . 1 1 101 101 LEU HG H 1 1.204 0.009 . 1 . . . . A 759 LEU HG . 18183 1 1211 . 1 1 101 101 LEU HD11 H 1 0.303 0.002 . 2 . . . . A 759 LEU HD11 . 18183 1 1212 . 1 1 101 101 LEU HD12 H 1 0.303 0.002 . 2 . . . . A 759 LEU HD12 . 18183 1 1213 . 1 1 101 101 LEU HD13 H 1 0.303 0.002 . 2 . . . . A 759 LEU HD13 . 18183 1 1214 . 1 1 101 101 LEU HD21 H 1 0.205 0.007 . 2 . . . . A 759 LEU HD21 . 18183 1 1215 . 1 1 101 101 LEU HD22 H 1 0.205 0.007 . 2 . . . . A 759 LEU HD22 . 18183 1 1216 . 1 1 101 101 LEU HD23 H 1 0.205 0.007 . 2 . . . . A 759 LEU HD23 . 18183 1 1217 . 1 1 101 101 LEU C C 13 173.228 0.015 . 1 . . . . A 759 LEU C . 18183 1 1218 . 1 1 101 101 LEU CA C 13 52.325 0.091 . 1 . . . . A 759 LEU CA . 18183 1 1219 . 1 1 101 101 LEU CB C 13 41.512 0.042 . 1 . . . . A 759 LEU CB . 18183 1 1220 . 1 1 101 101 LEU CG C 13 26.144 0.000 . 1 . . . . A 759 LEU CG . 18183 1 1221 . 1 1 101 101 LEU CD1 C 13 25.522 0.000 . 2 . . . . A 759 LEU CD1 . 18183 1 1222 . 1 1 101 101 LEU CD2 C 13 24.454 0.026 . 2 . . . . A 759 LEU CD2 . 18183 1 1223 . 1 1 101 101 LEU N N 15 124.472 0.041 . 1 . . . . A 759 LEU N . 18183 1 1224 . 1 1 102 102 ASP H H 1 6.594 0.005 . 1 . . . . A 760 ASP H . 18183 1 1225 . 1 1 102 102 ASP HA H 1 4.485 0.005 . 1 . . . . A 760 ASP HA . 18183 1 1226 . 1 1 102 102 ASP HB2 H 1 2.232 0.004 . 2 . . . . A 760 ASP HB2 . 18183 1 1227 . 1 1 102 102 ASP HB3 H 1 2.967 0.002 . 2 . . . . A 760 ASP HB3 . 18183 1 1228 . 1 1 102 102 ASP C C 13 173.467 0.029 . 1 . . . . A 760 ASP C . 18183 1 1229 . 1 1 102 102 ASP CA C 13 52.125 0.000 . 1 . . . . A 760 ASP CA . 18183 1 1230 . 1 1 102 102 ASP CB C 13 39.028 0.094 . 1 . . . . A 760 ASP CB . 18183 1 1231 . 1 1 102 102 ASP N N 15 119.321 0.028 . 1 . . . . A 760 ASP N . 18183 1 1232 . 1 1 103 103 THR H H 1 7.637 0.004 . 1 . . . . A 761 THR H . 18183 1 1233 . 1 1 103 103 THR HA H 1 4.643 0.005 . 1 . . . . A 761 THR HA . 18183 1 1234 . 1 1 103 103 THR HB H 1 3.956 0.005 . 1 . . . . A 761 THR HB . 18183 1 1235 . 1 1 103 103 THR HG21 H 1 0.550 0.006 . 1 . . . . A 761 THR HG21 . 18183 1 1236 . 1 1 103 103 THR HG22 H 1 0.550 0.006 . 1 . . . . A 761 THR HG22 . 18183 1 1237 . 1 1 103 103 THR HG23 H 1 0.550 0.006 . 1 . . . . A 761 THR HG23 . 18183 1 1238 . 1 1 103 103 THR C C 13 172.158 0.005 . 1 . . . . A 761 THR C . 18183 1 1239 . 1 1 103 103 THR CA C 13 60.197 0.053 . 1 . . . . A 761 THR CA . 18183 1 1240 . 1 1 103 103 THR CB C 13 69.046 0.060 . 1 . . . . A 761 THR CB . 18183 1 1241 . 1 1 103 103 THR CG2 C 13 19.339 0.000 . 1 . . . . A 761 THR CG2 . 18183 1 1242 . 1 1 103 103 THR N N 15 117.213 0.025 . 1 . . . . A 761 THR N . 18183 1 1243 . 1 1 104 104 THR H H 1 7.284 0.005 . 1 . . . . A 762 THR H . 18183 1 1244 . 1 1 104 104 THR HA H 1 4.569 0.005 . 1 . . . . A 762 THR HA . 18183 1 1245 . 1 1 104 104 THR HB H 1 3.984 0.006 . 1 . . . . A 762 THR HB . 18183 1 1246 . 1 1 104 104 THR HG21 H 1 0.688 0.004 . 1 . . . . A 762 THR HG21 . 18183 1 1247 . 1 1 104 104 THR HG22 H 1 0.688 0.004 . 1 . . . . A 762 THR HG22 . 18183 1 1248 . 1 1 104 104 THR HG23 H 1 0.688 0.004 . 1 . . . . A 762 THR HG23 . 18183 1 1249 . 1 1 104 104 THR C C 13 175.698 0.022 . 1 . . . . A 762 THR C . 18183 1 1250 . 1 1 104 104 THR CA C 13 60.808 0.053 . 1 . . . . A 762 THR CA . 18183 1 1251 . 1 1 104 104 THR CB C 13 70.636 0.071 . 1 . . . . A 762 THR CB . 18183 1 1252 . 1 1 104 104 THR CG2 C 13 21.479 0.000 . 1 . . . . A 762 THR CG2 . 18183 1 1253 . 1 1 104 104 THR N N 15 114.193 0.020 . 1 . . . . A 762 THR N . 18183 1 1254 . 1 1 105 105 LEU H H 1 8.093 0.007 . 1 . . . . A 763 LEU H . 18183 1 1255 . 1 1 105 105 LEU HA H 1 3.463 0.005 . 1 . . . . A 763 LEU HA . 18183 1 1256 . 1 1 105 105 LEU HB2 H 1 0.837 0.000 . 2 . . . . A 763 LEU HB2 . 18183 1 1257 . 1 1 105 105 LEU HB3 H 1 0.837 0.000 . 2 . . . . A 763 LEU HB3 . 18183 1 1258 . 1 1 105 105 LEU HG H 1 1.049 0.007 . 1 . . . . A 763 LEU HG . 18183 1 1259 . 1 1 105 105 LEU HD11 H 1 0.333 0.005 . 2 . . . . A 763 LEU HD11 . 18183 1 1260 . 1 1 105 105 LEU HD12 H 1 0.333 0.005 . 2 . . . . A 763 LEU HD12 . 18183 1 1261 . 1 1 105 105 LEU HD13 H 1 0.333 0.005 . 2 . . . . A 763 LEU HD13 . 18183 1 1262 . 1 1 105 105 LEU HD21 H 1 0.071 0.005 . 2 . . . . A 763 LEU HD21 . 18183 1 1263 . 1 1 105 105 LEU HD22 H 1 0.071 0.005 . 2 . . . . A 763 LEU HD22 . 18183 1 1264 . 1 1 105 105 LEU HD23 H 1 0.071 0.005 . 2 . . . . A 763 LEU HD23 . 18183 1 1265 . 1 1 105 105 LEU C C 13 174.348 0.012 . 1 . . . . A 763 LEU C . 18183 1 1266 . 1 1 105 105 LEU CA C 13 53.982 0.046 . 1 . . . . A 763 LEU CA . 18183 1 1267 . 1 1 105 105 LEU CB C 13 35.683 0.057 . 1 . . . . A 763 LEU CB . 18183 1 1268 . 1 1 105 105 LEU CG C 13 24.954 0.053 . 1 . . . . A 763 LEU CG . 18183 1 1269 . 1 1 105 105 LEU CD1 C 13 22.812 0.000 . 2 . . . . A 763 LEU CD1 . 18183 1 1270 . 1 1 105 105 LEU CD2 C 13 22.812 0.000 . 2 . . . . A 763 LEU CD2 . 18183 1 1271 . 1 1 105 105 LEU N N 15 117.473 0.038 . 1 . . . . A 763 LEU N . 18183 1 1272 . 1 1 106 106 LYS H H 1 7.118 0.007 . 1 . . . . A 764 LYS H . 18183 1 1273 . 1 1 106 106 LYS HA H 1 3.958 0.006 . 1 . . . . A 764 LYS HA . 18183 1 1274 . 1 1 106 106 LYS HB2 H 1 0.955 0.004 . 2 . . . . A 764 LYS HB2 . 18183 1 1275 . 1 1 106 106 LYS HB3 H 1 1.265 0.008 . 2 . . . . A 764 LYS HB3 . 18183 1 1276 . 1 1 106 106 LYS HG2 H 1 0.341 0.005 . 2 . . . . A 764 LYS HG2 . 18183 1 1277 . 1 1 106 106 LYS HG3 H 1 0.801 0.006 . 2 . . . . A 764 LYS HG3 . 18183 1 1278 . 1 1 106 106 LYS HD2 H 1 1.376 0.007 . 2 . . . . A 764 LYS HD2 . 18183 1 1279 . 1 1 106 106 LYS HD3 H 1 1.376 0.007 . 2 . . . . A 764 LYS HD3 . 18183 1 1280 . 1 1 106 106 LYS HE2 H 1 2.797 0.003 . 2 . . . . A 764 LYS HE2 . 18183 1 1281 . 1 1 106 106 LYS HE3 H 1 2.797 0.003 . 2 . . . . A 764 LYS HE3 . 18183 1 1282 . 1 1 106 106 LYS C C 13 176.734 0.014 . 1 . . . . A 764 LYS C . 18183 1 1283 . 1 1 106 106 LYS CA C 13 59.696 0.058 . 1 . . . . A 764 LYS CA . 18183 1 1284 . 1 1 106 106 LYS CB C 13 35.167 0.025 . 1 . . . . A 764 LYS CB . 18183 1 1285 . 1 1 106 106 LYS CG C 13 24.531 0.000 . 1 . . . . A 764 LYS CG . 18183 1 1286 . 1 1 106 106 LYS CD C 13 29.237 0.000 . 1 . . . . A 764 LYS CD . 18183 1 1287 . 1 1 106 106 LYS CE C 13 41.926 0.000 . 1 . . . . A 764 LYS CE . 18183 1 1288 . 1 1 106 106 LYS N N 15 127.491 0.028 . 1 . . . . A 764 LYS N . 18183 1 1289 . 1 1 107 107 TYR H H 1 7.848 0.004 . 1 . . . . A 765 TYR H . 18183 1 1290 . 1 1 107 107 TYR HA H 1 5.464 0.004 . 1 . . . . A 765 TYR HA . 18183 1 1291 . 1 1 107 107 TYR HB2 H 1 3.004 0.005 . 2 . . . . A 765 TYR HB2 . 18183 1 1292 . 1 1 107 107 TYR HB3 H 1 3.004 0.005 . 2 . . . . A 765 TYR HB3 . 18183 1 1293 . 1 1 107 107 TYR HD1 H 1 7.068 0.002 . 1 . . . . A 765 TYR HD1 . 18183 1 1294 . 1 1 107 107 TYR HD2 H 1 7.068 0.002 . 1 . . . . A 765 TYR HD2 . 18183 1 1295 . 1 1 107 107 TYR HE1 H 1 6.865 0.006 . 1 . . . . A 765 TYR HE1 . 18183 1 1296 . 1 1 107 107 TYR HE2 H 1 6.865 0.006 . 1 . . . . A 765 TYR HE2 . 18183 1 1297 . 1 1 107 107 TYR C C 13 172.048 0.000 . 1 . . . . A 765 TYR C . 18183 1 1298 . 1 1 107 107 TYR CA C 13 52.519 0.000 . 1 . . . . A 765 TYR CA . 18183 1 1299 . 1 1 107 107 TYR CB C 13 40.376 0.000 . 1 . . . . A 765 TYR CB . 18183 1 1300 . 1 1 107 107 TYR N N 15 115.804 0.036 . 1 . . . . A 765 TYR N . 18183 1 1301 . 1 1 108 108 PRO HA H 1 3.626 0.004 . 1 . . . . A 766 PRO HA . 18183 1 1302 . 1 1 108 108 PRO HB2 H 1 1.859 0.002 . 2 . . . . A 766 PRO HB2 . 18183 1 1303 . 1 1 108 108 PRO HB3 H 1 1.859 0.002 . 2 . . . . A 766 PRO HB3 . 18183 1 1304 . 1 1 108 108 PRO HD2 H 1 3.906 0.003 . 2 . . . . A 766 PRO HD2 . 18183 1 1305 . 1 1 108 108 PRO HD3 H 1 4.247 0.004 . 2 . . . . A 766 PRO HD3 . 18183 1 1306 . 1 1 108 108 PRO C C 13 180.469 0.005 . 1 . . . . A 766 PRO C . 18183 1 1307 . 1 1 109 109 TYR H H 1 8.306 0.003 . 1 . . . . A 767 TYR H . 18183 1 1308 . 1 1 109 109 TYR HA H 1 3.784 0.006 . 1 . . . . A 767 TYR HA . 18183 1 1309 . 1 1 109 109 TYR HB2 H 1 2.407 0.010 . 2 . . . . A 767 TYR HB2 . 18183 1 1310 . 1 1 109 109 TYR HB3 H 1 2.628 0.009 . 2 . . . . A 767 TYR HB3 . 18183 1 1311 . 1 1 109 109 TYR HD1 H 1 6.840 0.009 . 3 . . . . A 767 TYR HD1 . 18183 1 1312 . 1 1 109 109 TYR HD2 H 1 6.840 0.009 . 3 . . . . A 767 TYR HD2 . 18183 1 1313 . 1 1 109 109 TYR HE1 H 1 6.430 0.005 . 3 . . . . A 767 TYR HE1 . 18183 1 1314 . 1 1 109 109 TYR HE2 H 1 6.430 0.005 . 3 . . . . A 767 TYR HE2 . 18183 1 1315 . 1 1 109 109 TYR C C 13 174.575 0.000 . 1 . . . . A 767 TYR C . 18183 1 1316 . 1 1 109 109 TYR CA C 13 60.986 0.094 . 1 . . . . A 767 TYR CA . 18183 1 1317 . 1 1 109 109 TYR CB C 13 37.626 0.043 . 1 . . . . A 767 TYR CB . 18183 1 1318 . 1 1 109 109 TYR N N 15 122.791 0.049 . 1 . . . . A 767 TYR N . 18183 1 1319 . 1 1 110 110 LYS H H 1 6.785 0.005 . 1 . . . . A 768 LYS H . 18183 1 1320 . 1 1 110 110 LYS HA H 1 3.903 0.006 . 1 . . . . A 768 LYS HA . 18183 1 1321 . 1 1 110 110 LYS HB2 H 1 1.437 0.008 . 2 . . . . A 768 LYS HB2 . 18183 1 1322 . 1 1 110 110 LYS HB3 H 1 1.437 0.008 . 2 . . . . A 768 LYS HB3 . 18183 1 1323 . 1 1 110 110 LYS HG2 H 1 0.419 0.006 . 2 . . . . A 768 LYS HG2 . 18183 1 1324 . 1 1 110 110 LYS HG3 H 1 0.705 0.008 . 2 . . . . A 768 LYS HG3 . 18183 1 1325 . 1 1 110 110 LYS HD2 H 1 1.403 0.001 . 2 . . . . A 768 LYS HD2 . 18183 1 1326 . 1 1 110 110 LYS HD3 H 1 1.403 0.001 . 2 . . . . A 768 LYS HD3 . 18183 1 1327 . 1 1 110 110 LYS HE2 H 1 2.831 0.007 . 2 . . . . A 768 LYS HE2 . 18183 1 1328 . 1 1 110 110 LYS HE3 H 1 2.831 0.007 . 2 . . . . A 768 LYS HE3 . 18183 1 1329 . 1 1 110 110 LYS C C 13 176.259 0.008 . 1 . . . . A 768 LYS C . 18183 1 1330 . 1 1 110 110 LYS CA C 13 56.595 0.060 . 1 . . . . A 768 LYS CA . 18183 1 1331 . 1 1 110 110 LYS CB C 13 32.605 0.033 . 1 . . . . A 768 LYS CB . 18183 1 1332 . 1 1 110 110 LYS CG C 13 24.609 0.000 . 1 . . . . A 768 LYS CG . 18183 1 1333 . 1 1 110 110 LYS CD C 13 29.061 0.000 . 1 . . . . A 768 LYS CD . 18183 1 1334 . 1 1 110 110 LYS CE C 13 42.035 0.000 . 1 . . . . A 768 LYS CE . 18183 1 1335 . 1 1 110 110 LYS N N 15 118.817 0.037 . 1 . . . . A 768 LYS N . 18183 1 1336 . 1 1 111 111 SER H H 1 7.765 0.004 . 1 . . . . A 769 SER H . 18183 1 1337 . 1 1 111 111 SER HA H 1 4.317 0.004 . 1 . . . . A 769 SER HA . 18183 1 1338 . 1 1 111 111 SER HB2 H 1 3.851 0.009 . 2 . . . . A 769 SER HB2 . 18183 1 1339 . 1 1 111 111 SER HB3 H 1 3.851 0.009 . 2 . . . . A 769 SER HB3 . 18183 1 1340 . 1 1 111 111 SER C C 13 174.092 0.007 . 1 . . . . A 769 SER C . 18183 1 1341 . 1 1 111 111 SER CA C 13 58.647 0.042 . 1 . . . . A 769 SER CA . 18183 1 1342 . 1 1 111 111 SER CB C 13 63.883 0.088 . 1 . . . . A 769 SER CB . 18183 1 1343 . 1 1 111 111 SER N N 15 114.539 0.025 . 1 . . . . A 769 SER N . 18183 1 1344 . 1 1 112 112 ARG H H 1 8.082 0.005 . 1 . . . . A 770 ARG H . 18183 1 1345 . 1 1 112 112 ARG HA H 1 4.322 0.004 . 1 . . . . A 770 ARG HA . 18183 1 1346 . 1 1 112 112 ARG HB2 H 1 1.650 0.007 . 2 . . . . A 770 ARG HB2 . 18183 1 1347 . 1 1 112 112 ARG HB3 H 1 1.877 0.004 . 2 . . . . A 770 ARG HB3 . 18183 1 1348 . 1 1 112 112 ARG HG2 H 1 1.524 0.010 . 2 . . . . A 770 ARG HG2 . 18183 1 1349 . 1 1 112 112 ARG HG3 H 1 1.524 0.010 . 2 . . . . A 770 ARG HG3 . 18183 1 1350 . 1 1 112 112 ARG HD2 H 1 3.030 0.009 . 2 . . . . A 770 ARG HD2 . 18183 1 1351 . 1 1 112 112 ARG HD3 H 1 3.030 0.009 . 2 . . . . A 770 ARG HD3 . 18183 1 1352 . 1 1 112 112 ARG C C 13 175.130 0.002 . 1 . . . . A 770 ARG C . 18183 1 1353 . 1 1 112 112 ARG CA C 13 55.664 0.048 . 1 . . . . A 770 ARG CA . 18183 1 1354 . 1 1 112 112 ARG CB C 13 30.880 0.062 . 1 . . . . A 770 ARG CB . 18183 1 1355 . 1 1 112 112 ARG CG C 13 27.006 0.000 . 1 . . . . A 770 ARG CG . 18183 1 1356 . 1 1 112 112 ARG CD C 13 42.936 0.000 . 1 . . . . A 770 ARG CD . 18183 1 1357 . 1 1 112 112 ARG N N 15 122.458 0.020 . 1 . . . . A 770 ARG N . 18183 1 1358 . 1 1 113 113 GLU H H 1 7.915 0.005 . 1 . . . . A 771 GLU H . 18183 1 1359 . 1 1 113 113 GLU HA H 1 4.017 0.002 . 1 . . . . A 771 GLU HA . 18183 1 1360 . 1 1 113 113 GLU HB2 H 1 1.794 0.005 . 2 . . . . A 771 GLU HB2 . 18183 1 1361 . 1 1 113 113 GLU HB3 H 1 1.953 0.003 . 2 . . . . A 771 GLU HB3 . 18183 1 1362 . 1 1 113 113 GLU HG2 H 1 2.126 0.003 . 2 . . . . A 771 GLU HG2 . 18183 1 1363 . 1 1 113 113 GLU HG3 H 1 2.126 0.003 . 2 . . . . A 771 GLU HG3 . 18183 1 1364 . 1 1 113 113 GLU C C 13 181.010 0.000 . 1 . . . . A 771 GLU C . 18183 1 1365 . 1 1 113 113 GLU CA C 13 58.081 0.000 . 1 . . . . A 771 GLU CA . 18183 1 1366 . 1 1 113 113 GLU CB C 13 30.907 0.000 . 1 . . . . A 771 GLU CB . 18183 1 1367 . 1 1 113 113 GLU CG C 13 36.716 0.000 . 1 . . . . A 771 GLU CG . 18183 1 1368 . 1 1 113 113 GLU N N 15 126.831 0.025 . 1 . . . . A 771 GLU N . 18183 1 stop_ save_