data_17588 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17588 _Entry.Title ; Solution structure of the RXLR effector P. capsici AVR3a4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-12 _Entry.Accession_date 2011-04-12 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hua Li . . . 17588 2 Seizo Koshiba . . . 17588 3 Takashi Yaeno . . . 17588 4 Manami Sato . . . 17588 5 Satoru Watanabe . . . 17588 6 Takushi Harada . . . 17588 7 Ken Shirasu . . . 17588 8 Takanori Kigawa . . . 17588 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' . 17588 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Four helix bundle' . 17588 'Plant immunity' . 17588 'Protein binding' . 17588 'RXLR effector' . 17588 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17588 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 17588 '15N chemical shifts' 110 17588 '1H chemical shifts' 715 17588 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 . . 2012-05-09 2011-04-12 original author . 17588 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LC2 'BMRB Entry Tracking System' 17588 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17588 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21821794 _Citation.Full_citation . _Citation.Title 'Phosphatidylinositol monophosphate-binding interface in the oomycete RXLR effector AVR3a is required for its stability in host cells to modulate plant immunity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 35 _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 14682 _Citation.Page_last 14687 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takashi Yaeno . . . 17588 1 2 Hua Li . . . 17588 1 3 Angela Chaparro-Garcia . . . 17588 1 4 Sebastian Schornack . . . 17588 1 5 Seizo Koshiba . . . 17588 1 6 Satoru Watanabe . . . 17588 1 7 Takanori Kigawa . . . 17588 1 8 Sophien Kamoun . . . 17588 1 9 Ken Shirasu . . . 17588 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17588 _Assembly.ID 1 _Assembly.Name AVR3a4 _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 AVR3a4 1 $entity A . yes native no no . . . 17588 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17588 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AVR3a4 _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 ; GSSGSSGNVDSNQNKASMLQ ARLNDEAGGTRLLRVHHESD TEERGFLEKAAVKKMAKAIM ADPNKADEVYKKWADKGYTL TQMSNFLKSKTAGKYDRVYN GYVIHLDY ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12039.568 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LC2 . "Solution Structure Of The Rxlr Effector P. Capsici Avr3a4" . . . . . 99.07 108 100.00 100.00 8.72e-72 . . . . 17588 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 17588 1 2 -3 SER . 17588 1 3 -2 SER . 17588 1 4 -1 GLY . 17588 1 5 0 SER . 17588 1 6 1 SER . 17588 1 7 2 GLY . 17588 1 8 3 ASN . 17588 1 9 4 VAL . 17588 1 10 5 ASP . 17588 1 11 6 SER . 17588 1 12 7 ASN . 17588 1 13 8 GLN . 17588 1 14 9 ASN . 17588 1 15 10 LYS . 17588 1 16 11 ALA . 17588 1 17 12 SER . 17588 1 18 13 MET . 17588 1 19 14 LEU . 17588 1 20 15 GLN . 17588 1 21 16 ALA . 17588 1 22 17 ARG . 17588 1 23 18 LEU . 17588 1 24 19 ASN . 17588 1 25 20 ASP . 17588 1 26 21 GLU . 17588 1 27 22 ALA . 17588 1 28 23 GLY . 17588 1 29 24 GLY . 17588 1 30 25 THR . 17588 1 31 26 ARG . 17588 1 32 27 LEU . 17588 1 33 28 LEU . 17588 1 34 29 ARG . 17588 1 35 30 VAL . 17588 1 36 31 HIS . 17588 1 37 32 HIS . 17588 1 38 33 GLU . 17588 1 39 34 SER . 17588 1 40 35 ASP . 17588 1 41 36 THR . 17588 1 42 37 GLU . 17588 1 43 38 GLU . 17588 1 44 39 ARG . 17588 1 45 40 GLY . 17588 1 46 41 PHE . 17588 1 47 42 LEU . 17588 1 48 43 GLU . 17588 1 49 44 LYS . 17588 1 50 45 ALA . 17588 1 51 46 ALA . 17588 1 52 47 VAL . 17588 1 53 48 LYS . 17588 1 54 49 LYS . 17588 1 55 50 MET . 17588 1 56 51 ALA . 17588 1 57 52 LYS . 17588 1 58 53 ALA . 17588 1 59 54 ILE . 17588 1 60 55 MET . 17588 1 61 56 ALA . 17588 1 62 57 ASP . 17588 1 63 58 PRO . 17588 1 64 59 ASN . 17588 1 65 60 LYS . 17588 1 66 61 ALA . 17588 1 67 62 ASP . 17588 1 68 63 GLU . 17588 1 69 64 VAL . 17588 1 70 65 TYR . 17588 1 71 66 LYS . 17588 1 72 67 LYS . 17588 1 73 68 TRP . 17588 1 74 69 ALA . 17588 1 75 70 ASP . 17588 1 76 71 LYS . 17588 1 77 72 GLY . 17588 1 78 73 TYR . 17588 1 79 74 THR . 17588 1 80 75 LEU . 17588 1 81 76 THR . 17588 1 82 77 GLN . 17588 1 83 78 MET . 17588 1 84 79 SER . 17588 1 85 80 ASN . 17588 1 86 81 PHE . 17588 1 87 82 LEU . 17588 1 88 83 LYS . 17588 1 89 84 SER . 17588 1 90 85 LYS . 17588 1 91 86 THR . 17588 1 92 87 ALA . 17588 1 93 88 GLY . 17588 1 94 89 LYS . 17588 1 95 90 TYR . 17588 1 96 91 ASP . 17588 1 97 92 ARG . 17588 1 98 93 VAL . 17588 1 99 94 TYR . 17588 1 100 95 ASN . 17588 1 101 96 GLY . 17588 1 102 97 TYR . 17588 1 103 98 VAL . 17588 1 104 99 ILE . 17588 1 105 100 HIS . 17588 1 106 101 LEU . 17588 1 107 102 ASP . 17588 1 108 103 TYR . 17588 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17588 1 . SER 2 2 17588 1 . SER 3 3 17588 1 . GLY 4 4 17588 1 . SER 5 5 17588 1 . SER 6 6 17588 1 . GLY 7 7 17588 1 . ASN 8 8 17588 1 . VAL 9 9 17588 1 . ASP 10 10 17588 1 . SER 11 11 17588 1 . ASN 12 12 17588 1 . GLN 13 13 17588 1 . ASN 14 14 17588 1 . LYS 15 15 17588 1 . ALA 16 16 17588 1 . SER 17 17 17588 1 . MET 18 18 17588 1 . LEU 19 19 17588 1 . GLN 20 20 17588 1 . ALA 21 21 17588 1 . ARG 22 22 17588 1 . LEU 23 23 17588 1 . ASN 24 24 17588 1 . ASP 25 25 17588 1 . GLU 26 26 17588 1 . ALA 27 27 17588 1 . GLY 28 28 17588 1 . GLY 29 29 17588 1 . THR 30 30 17588 1 . ARG 31 31 17588 1 . LEU 32 32 17588 1 . LEU 33 33 17588 1 . ARG 34 34 17588 1 . VAL 35 35 17588 1 . HIS 36 36 17588 1 . HIS 37 37 17588 1 . GLU 38 38 17588 1 . SER 39 39 17588 1 . ASP 40 40 17588 1 . THR 41 41 17588 1 . GLU 42 42 17588 1 . GLU 43 43 17588 1 . ARG 44 44 17588 1 . GLY 45 45 17588 1 . PHE 46 46 17588 1 . LEU 47 47 17588 1 . GLU 48 48 17588 1 . LYS 49 49 17588 1 . ALA 50 50 17588 1 . ALA 51 51 17588 1 . VAL 52 52 17588 1 . LYS 53 53 17588 1 . LYS 54 54 17588 1 . MET 55 55 17588 1 . ALA 56 56 17588 1 . LYS 57 57 17588 1 . ALA 58 58 17588 1 . ILE 59 59 17588 1 . MET 60 60 17588 1 . ALA 61 61 17588 1 . ASP 62 62 17588 1 . PRO 63 63 17588 1 . ASN 64 64 17588 1 . LYS 65 65 17588 1 . ALA 66 66 17588 1 . ASP 67 67 17588 1 . GLU 68 68 17588 1 . VAL 69 69 17588 1 . TYR 70 70 17588 1 . LYS 71 71 17588 1 . LYS 72 72 17588 1 . TRP 73 73 17588 1 . ALA 74 74 17588 1 . ASP 75 75 17588 1 . LYS 76 76 17588 1 . GLY 77 77 17588 1 . TYR 78 78 17588 1 . THR 79 79 17588 1 . LEU 80 80 17588 1 . THR 81 81 17588 1 . GLN 82 82 17588 1 . MET 83 83 17588 1 . SER 84 84 17588 1 . ASN 85 85 17588 1 . PHE 86 86 17588 1 . LEU 87 87 17588 1 . LYS 88 88 17588 1 . SER 89 89 17588 1 . LYS 90 90 17588 1 . THR 91 91 17588 1 . ALA 92 92 17588 1 . GLY 93 93 17588 1 . LYS 94 94 17588 1 . TYR 95 95 17588 1 . ASP 96 96 17588 1 . ARG 97 97 17588 1 . VAL 98 98 17588 1 . TYR 99 99 17588 1 . ASN 100 100 17588 1 . GLY 101 101 17588 1 . TYR 102 102 17588 1 . VAL 103 103 17588 1 . ILE 104 104 17588 1 . HIS 105 105 17588 1 . LEU 106 106 17588 1 . ASP 107 107 17588 1 . TYR 108 108 17588 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 17588 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4784 organism . 'Phytophthora capsici' 'Phytophthora capsici' . . Eukaryota . Phytophthora capsici . . . . . . . . . . . . . . . . . . . . . 17588 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 17588 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17588 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17588 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AVR3a4 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.11 . . mM . . . . 17588 1 2 TRIS '[U-100% 2H]' . . . . . . 20 . . mM . . . . 17588 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17588 1 4 DTT '[U-100% 2H]' . . . . . . 1 . . mM . . . . 17588 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17588 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17588 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17588 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17588 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 320 . mM 17588 1 pH 7.0 . pH 17588 1 pressure 1 . atm 17588 1 temperature 298 . K 17588 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17588 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17588 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17588 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17588 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17588 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17588 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17588 _Software.ID 3 _Software.Name NMRPipe _Software.Version 20090801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17588 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17588 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17588 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17588 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17588 4 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 17588 _Software.ID 5 _Software.Name Kujira _Software.Version 0.9843 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 17588 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17588 5 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 17588 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17588 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17588 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 17588 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17588 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17588 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 17588 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 64.851 internal indirect 0.251449530 . . . . . . . . . 17588 1 H 1 water protons . . . . ppm 4.784 internal direct 1.0 . . . . . . . . . 17588 1 N 15 water protons . . . . ppm 117.597 internal indirect 0.101329118 . . . . . . . . . 17588 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 17588 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 17588 1 2 '3D 1H-13C NOESY' . . . 17588 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.480 0.030 . 1 . . . A 1 SER HA . 17588 1 2 . 1 1 6 6 SER HB2 H 1 3.888 0.030 . 1 . . . A 1 SER HB2 . 17588 1 3 . 1 1 6 6 SER HB3 H 1 3.888 0.030 . 1 . . . A 1 SER HB3 . 17588 1 4 . 1 1 6 6 SER C C 13 174.995 0.300 . 1 . . . A 1 SER C . 17588 1 5 . 1 1 6 6 SER CA C 13 58.675 0.300 . 1 . . . A 1 SER CA . 17588 1 6 . 1 1 6 6 SER CB C 13 63.822 0.300 . 1 . . . A 1 SER CB . 17588 1 7 . 1 1 7 7 GLY H H 1 8.394 0.030 . 1 . . . A 2 GLY H . 17588 1 8 . 1 1 7 7 GLY HA2 H 1 3.973 0.030 . 1 . . . A 2 GLY HA2 . 17588 1 9 . 1 1 7 7 GLY HA3 H 1 3.973 0.030 . 1 . . . A 2 GLY HA3 . 17588 1 10 . 1 1 7 7 GLY C C 13 173.853 0.300 . 1 . . . A 2 GLY C . 17588 1 11 . 1 1 7 7 GLY CA C 13 45.347 0.300 . 1 . . . A 2 GLY CA . 17588 1 12 . 1 1 7 7 GLY N N 15 110.458 0.300 . 1 . . . A 2 GLY N . 17588 1 13 . 1 1 8 8 ASN H H 1 8.308 0.030 . 1 . . . A 3 ASN H . 17588 1 14 . 1 1 8 8 ASN HA H 1 4.757 0.030 . 1 . . . A 3 ASN HA . 17588 1 15 . 1 1 8 8 ASN HB2 H 1 2.766 0.030 . 1 . . . A 3 ASN HB2 . 17588 1 16 . 1 1 8 8 ASN HB3 H 1 2.766 0.030 . 1 . . . A 3 ASN HB3 . 17588 1 17 . 1 1 8 8 ASN HD21 H 1 6.943 0.030 . 2 . . . A 3 ASN HD21 . 17588 1 18 . 1 1 8 8 ASN HD22 H 1 7.585 0.030 . 2 . . . A 3 ASN HD22 . 17588 1 19 . 1 1 8 8 ASN C C 13 175.389 0.300 . 1 . . . A 3 ASN C . 17588 1 20 . 1 1 8 8 ASN CA C 13 53.231 0.300 . 1 . . . A 3 ASN CA . 17588 1 21 . 1 1 8 8 ASN CB C 13 38.959 0.300 . 1 . . . A 3 ASN CB . 17588 1 22 . 1 1 8 8 ASN N N 15 119.020 0.300 . 1 . . . A 3 ASN N . 17588 1 23 . 1 1 8 8 ASN ND2 N 15 113.102 0.300 . 1 . . . A 3 ASN ND2 . 17588 1 24 . 1 1 9 9 VAL H H 1 8.173 0.030 . 1 . . . A 4 VAL H . 17588 1 25 . 1 1 9 9 VAL HA H 1 4.115 0.030 . 1 . . . A 4 VAL HA . 17588 1 26 . 1 1 9 9 VAL HB H 1 2.090 0.030 . 1 . . . A 4 VAL HB . 17588 1 27 . 1 1 9 9 VAL HG11 H 1 0.912 0.030 . 1 . . . A 4 VAL HG11 . 17588 1 28 . 1 1 9 9 VAL HG12 H 1 0.912 0.030 . 1 . . . A 4 VAL HG12 . 17588 1 29 . 1 1 9 9 VAL HG13 H 1 0.912 0.030 . 1 . . . A 4 VAL HG13 . 17588 1 30 . 1 1 9 9 VAL HG21 H 1 0.912 0.030 . 1 . . . A 4 VAL HG21 . 17588 1 31 . 1 1 9 9 VAL HG22 H 1 0.912 0.030 . 1 . . . A 4 VAL HG22 . 17588 1 32 . 1 1 9 9 VAL HG23 H 1 0.912 0.030 . 1 . . . A 4 VAL HG23 . 17588 1 33 . 1 1 9 9 VAL C C 13 175.980 0.300 . 1 . . . A 4 VAL C . 17588 1 34 . 1 1 9 9 VAL CA C 13 62.468 0.300 . 1 . . . A 4 VAL CA . 17588 1 35 . 1 1 9 9 VAL CB C 13 32.712 0.300 . 1 . . . A 4 VAL CB . 17588 1 36 . 1 1 9 9 VAL CG1 C 13 21.164 0.300 . 2 . . . A 4 VAL CG1 . 17588 1 37 . 1 1 9 9 VAL CG2 C 13 20.306 0.300 . 2 . . . A 4 VAL CG2 . 17588 1 38 . 1 1 9 9 VAL N N 15 120.281 0.300 . 1 . . . A 4 VAL N . 17588 1 39 . 1 1 10 10 ASP H H 1 8.418 0.030 . 1 . . . A 5 ASP H . 17588 1 40 . 1 1 10 10 ASP HA H 1 4.624 0.030 . 1 . . . A 5 ASP HA . 17588 1 41 . 1 1 10 10 ASP HB2 H 1 2.732 0.030 . 2 . . . A 5 ASP HB2 . 17588 1 42 . 1 1 10 10 ASP HB3 H 1 2.634 0.030 . 2 . . . A 5 ASP HB3 . 17588 1 43 . 1 1 10 10 ASP C C 13 176.599 0.300 . 1 . . . A 5 ASP C . 17588 1 44 . 1 1 10 10 ASP CA C 13 54.390 0.300 . 1 . . . A 5 ASP CA . 17588 1 45 . 1 1 10 10 ASP CB C 13 41.343 0.300 . 1 . . . A 5 ASP CB . 17588 1 46 . 1 1 10 10 ASP N N 15 123.840 0.300 . 1 . . . A 5 ASP N . 17588 1 47 . 1 1 11 11 SER H H 1 8.312 0.030 . 1 . . . A 6 SER H . 17588 1 48 . 1 1 11 11 SER HA H 1 4.395 0.030 . 1 . . . A 6 SER HA . 17588 1 49 . 1 1 11 11 SER HB2 H 1 3.912 0.030 . 1 . . . A 6 SER HB2 . 17588 1 50 . 1 1 11 11 SER HB3 H 1 3.912 0.030 . 1 . . . A 6 SER HB3 . 17588 1 51 . 1 1 11 11 SER C C 13 174.834 0.300 . 1 . . . A 6 SER C . 17588 1 52 . 1 1 11 11 SER CA C 13 58.886 0.300 . 1 . . . A 6 SER CA . 17588 1 53 . 1 1 11 11 SER CB C 13 63.740 0.300 . 1 . . . A 6 SER CB . 17588 1 54 . 1 1 11 11 SER N N 15 117.003 0.300 . 1 . . . A 6 SER N . 17588 1 55 . 1 1 12 12 ASN H H 1 8.511 0.030 . 1 . . . A 7 ASN H . 17588 1 56 . 1 1 12 12 ASN HA H 1 4.685 0.030 . 1 . . . A 7 ASN HA . 17588 1 57 . 1 1 12 12 ASN HB2 H 1 2.826 0.030 . 1 . . . A 7 ASN HB2 . 17588 1 58 . 1 1 12 12 ASN HB3 H 1 2.826 0.030 . 1 . . . A 7 ASN HB3 . 17588 1 59 . 1 1 12 12 ASN HD21 H 1 6.947 0.030 . 2 . . . A 7 ASN HD21 . 17588 1 60 . 1 1 12 12 ASN HD22 H 1 7.686 0.030 . 2 . . . A 7 ASN HD22 . 17588 1 61 . 1 1 12 12 ASN C C 13 175.646 0.300 . 1 . . . A 7 ASN C . 17588 1 62 . 1 1 12 12 ASN CA C 13 53.793 0.300 . 1 . . . A 7 ASN CA . 17588 1 63 . 1 1 12 12 ASN CB C 13 38.630 0.300 . 1 . . . A 7 ASN CB . 17588 1 64 . 1 1 12 12 ASN N N 15 120.512 0.300 . 1 . . . A 7 ASN N . 17588 1 65 . 1 1 12 12 ASN ND2 N 15 113.394 0.300 . 1 . . . A 7 ASN ND2 . 17588 1 66 . 1 1 13 13 GLN H H 1 8.258 0.030 . 1 . . . A 8 GLN H . 17588 1 67 . 1 1 13 13 GLN HA H 1 4.238 0.030 . 1 . . . A 8 GLN HA . 17588 1 68 . 1 1 13 13 GLN HB2 H 1 1.987 0.030 . 1 . . . A 8 GLN HB2 . 17588 1 69 . 1 1 13 13 GLN HB3 H 1 1.987 0.030 . 1 . . . A 8 GLN HB3 . 17588 1 70 . 1 1 13 13 GLN HG2 H 1 2.378 0.030 . 1 . . . A 8 GLN HG2 . 17588 1 71 . 1 1 13 13 GLN HG3 H 1 2.378 0.030 . 1 . . . A 8 GLN HG3 . 17588 1 72 . 1 1 13 13 GLN HE21 H 1 6.881 0.030 . 2 . . . A 8 GLN HE21 . 17588 1 73 . 1 1 13 13 GLN HE22 H 1 7.530 0.030 . 2 . . . A 8 GLN HE22 . 17588 1 74 . 1 1 13 13 GLN C C 13 175.988 0.300 . 1 . . . A 8 GLN C . 17588 1 75 . 1 1 13 13 GLN CA C 13 56.447 0.300 . 1 . . . A 8 GLN CA . 17588 1 76 . 1 1 13 13 GLN CB C 13 29.137 0.300 . 1 . . . A 8 GLN CB . 17588 1 77 . 1 1 13 13 GLN CG C 13 33.822 0.300 . 1 . . . A 8 GLN CG . 17588 1 78 . 1 1 13 13 GLN N N 15 120.057 0.300 . 1 . . . A 8 GLN N . 17588 1 79 . 1 1 13 13 GLN NE2 N 15 112.669 0.300 . 1 . . . A 8 GLN NE2 . 17588 1 80 . 1 1 14 14 ASN H H 1 8.377 0.030 . 1 . . . A 9 ASN H . 17588 1 81 . 1 1 14 14 ASN HA H 1 4.685 0.030 . 1 . . . A 9 ASN HA . 17588 1 82 . 1 1 14 14 ASN HB2 H 1 2.839 0.030 . 1 . . . A 9 ASN HB2 . 17588 1 83 . 1 1 14 14 ASN HB3 H 1 2.839 0.030 . 1 . . . A 9 ASN HB3 . 17588 1 84 . 1 1 14 14 ASN HD21 H 1 6.944 0.030 . 2 . . . A 9 ASN HD21 . 17588 1 85 . 1 1 14 14 ASN HD22 H 1 7.631 0.030 . 2 . . . A 9 ASN HD22 . 17588 1 86 . 1 1 14 14 ASN C C 13 175.552 0.300 . 1 . . . A 9 ASN C . 17588 1 87 . 1 1 14 14 ASN CA C 13 53.565 0.300 . 1 . . . A 9 ASN CA . 17588 1 88 . 1 1 14 14 ASN CB C 13 38.763 0.300 . 1 . . . A 9 ASN CB . 17588 1 89 . 1 1 14 14 ASN N N 15 119.323 0.300 . 1 . . . A 9 ASN N . 17588 1 90 . 1 1 14 14 ASN ND2 N 15 113.089 0.300 . 1 . . . A 9 ASN ND2 . 17588 1 91 . 1 1 15 15 LYS H H 1 8.224 0.030 . 1 . . . A 10 LYS H . 17588 1 92 . 1 1 15 15 LYS HA H 1 4.214 0.030 . 1 . . . A 10 LYS HA . 17588 1 93 . 1 1 15 15 LYS HB2 H 1 1.860 0.030 . 1 . . . A 10 LYS HB2 . 17588 1 94 . 1 1 15 15 LYS HB3 H 1 1.860 0.030 . 1 . . . A 10 LYS HB3 . 17588 1 95 . 1 1 15 15 LYS C C 13 176.933 0.300 . 1 . . . A 10 LYS C . 17588 1 96 . 1 1 15 15 LYS CA C 13 57.235 0.300 . 1 . . . A 10 LYS CA . 17588 1 97 . 1 1 15 15 LYS CB C 13 32.753 0.300 . 1 . . . A 10 LYS CB . 17588 1 98 . 1 1 15 15 LYS CG C 13 24.781 0.300 . 1 . . . A 10 LYS CG . 17588 1 99 . 1 1 15 15 LYS CD C 13 29.301 0.300 . 1 . . . A 10 LYS CD . 17588 1 100 . 1 1 15 15 LYS CE C 13 42.123 0.300 . 1 . . . A 10 LYS CE . 17588 1 101 . 1 1 15 15 LYS N N 15 121.938 0.300 . 1 . . . A 10 LYS N . 17588 1 102 . 1 1 16 16 ALA H H 1 8.292 0.030 . 1 . . . A 11 ALA H . 17588 1 103 . 1 1 16 16 ALA HA H 1 4.274 0.030 . 1 . . . A 11 ALA HA . 17588 1 104 . 1 1 16 16 ALA HB1 H 1 1.420 0.030 . 1 . . . A 11 ALA HB1 . 17588 1 105 . 1 1 16 16 ALA HB2 H 1 1.420 0.030 . 1 . . . A 11 ALA HB2 . 17588 1 106 . 1 1 16 16 ALA HB3 H 1 1.420 0.030 . 1 . . . A 11 ALA HB3 . 17588 1 107 . 1 1 16 16 ALA C C 13 178.593 0.300 . 1 . . . A 11 ALA C . 17588 1 108 . 1 1 16 16 ALA CA C 13 53.442 0.300 . 1 . . . A 11 ALA CA . 17588 1 109 . 1 1 16 16 ALA CB C 13 18.863 0.300 . 1 . . . A 11 ALA CB . 17588 1 110 . 1 1 16 16 ALA N N 15 123.956 0.300 . 1 . . . A 11 ALA N . 17588 1 111 . 1 1 17 17 SER H H 1 8.200 0.030 . 1 . . . A 12 SER H . 17588 1 112 . 1 1 17 17 SER HA H 1 4.365 0.030 . 1 . . . A 12 SER HA . 17588 1 113 . 1 1 17 17 SER HB2 H 1 3.929 0.030 . 2 . . . A 12 SER HB2 . 17588 1 114 . 1 1 17 17 SER HB3 H 1 3.877 0.030 . 2 . . . A 12 SER HB3 . 17588 1 115 . 1 1 17 17 SER C C 13 175.370 0.300 . 1 . . . A 12 SER C . 17588 1 116 . 1 1 17 17 SER CA C 13 59.077 0.300 . 1 . . . A 12 SER CA . 17588 1 117 . 1 1 17 17 SER CB C 13 63.383 0.300 . 1 . . . A 12 SER CB . 17588 1 118 . 1 1 17 17 SER N N 15 114.462 0.300 . 1 . . . A 12 SER N . 17588 1 119 . 1 1 18 18 MET H H 1 8.214 0.030 . 1 . . . A 13 MET H . 17588 1 120 . 1 1 18 18 MET HA H 1 4.429 0.030 . 1 . . . A 13 MET HA . 17588 1 121 . 1 1 18 18 MET HB2 H 1 2.125 0.030 . 2 . . . A 13 MET HB2 . 17588 1 122 . 1 1 18 18 MET HB3 H 1 2.055 0.030 . 2 . . . A 13 MET HB3 . 17588 1 123 . 1 1 18 18 MET HG2 H 1 2.632 0.030 . 2 . . . A 13 MET HG2 . 17588 1 124 . 1 1 18 18 MET HG3 H 1 2.524 0.030 . 2 . . . A 13 MET HG3 . 17588 1 125 . 1 1 18 18 MET HE1 H 1 2.077 0.030 . 1 . . . A 13 MET HE1 . 17588 1 126 . 1 1 18 18 MET HE2 H 1 2.077 0.030 . 1 . . . A 13 MET HE2 . 17588 1 127 . 1 1 18 18 MET HE3 H 1 2.077 0.030 . 1 . . . A 13 MET HE3 . 17588 1 128 . 1 1 18 18 MET C C 13 176.829 0.300 . 1 . . . A 13 MET C . 17588 1 129 . 1 1 18 18 MET CA C 13 56.357 0.300 . 1 . . . A 13 MET CA . 17588 1 130 . 1 1 18 18 MET CB C 13 32.630 0.300 . 1 . . . A 13 MET CB . 17588 1 131 . 1 1 18 18 MET CG C 13 32.089 0.300 . 1 . . . A 13 MET CG . 17588 1 132 . 1 1 18 18 MET CE C 13 17.046 0.300 . 1 . . . A 13 MET CE . 17588 1 133 . 1 1 18 18 MET N N 15 121.999 0.300 . 1 . . . A 13 MET N . 17588 1 134 . 1 1 19 19 LEU H H 1 8.076 0.030 . 1 . . . A 14 LEU H . 17588 1 135 . 1 1 19 19 LEU HA H 1 4.256 0.030 . 1 . . . A 14 LEU HA . 17588 1 136 . 1 1 19 19 LEU HB2 H 1 1.678 0.030 . 1 . . . A 14 LEU HB2 . 17588 1 137 . 1 1 19 19 LEU HB3 H 1 1.678 0.030 . 1 . . . A 14 LEU HB3 . 17588 1 138 . 1 1 19 19 LEU HG H 1 1.609 0.030 . 1 . . . A 14 LEU HG . 17588 1 139 . 1 1 19 19 LEU HD11 H 1 0.903 0.030 . 2 . . . A 14 LEU HD11 . 17588 1 140 . 1 1 19 19 LEU HD12 H 1 0.903 0.030 . 2 . . . A 14 LEU HD12 . 17588 1 141 . 1 1 19 19 LEU HD13 H 1 0.903 0.030 . 2 . . . A 14 LEU HD13 . 17588 1 142 . 1 1 19 19 LEU HD21 H 1 0.869 0.030 . 2 . . . A 14 LEU HD21 . 17588 1 143 . 1 1 19 19 LEU HD22 H 1 0.869 0.030 . 2 . . . A 14 LEU HD22 . 17588 1 144 . 1 1 19 19 LEU HD23 H 1 0.869 0.030 . 2 . . . A 14 LEU HD23 . 17588 1 145 . 1 1 19 19 LEU C C 13 177.774 0.300 . 1 . . . A 14 LEU C . 17588 1 146 . 1 1 19 19 LEU CA C 13 56.111 0.300 . 1 . . . A 14 LEU CA . 17588 1 147 . 1 1 19 19 LEU CB C 13 42.041 0.300 . 1 . . . A 14 LEU CB . 17588 1 148 . 1 1 19 19 LEU CG C 13 27.082 0.300 . 1 . . . A 14 LEU CG . 17588 1 149 . 1 1 19 19 LEU CD1 C 13 24.832 0.300 . 2 . . . A 14 LEU CD1 . 17588 1 150 . 1 1 19 19 LEU CD2 C 13 23.657 0.300 . 2 . . . A 14 LEU CD2 . 17588 1 151 . 1 1 19 19 LEU N N 15 122.083 0.300 . 1 . . . A 14 LEU N . 17588 1 152 . 1 1 20 20 GLN H H 1 8.174 0.030 . 1 . . . A 15 GLN H . 17588 1 153 . 1 1 20 20 GLN HA H 1 4.207 0.030 . 1 . . . A 15 GLN HA . 17588 1 154 . 1 1 20 20 GLN HB2 H 1 2.096 0.030 . 2 . . . A 15 GLN HB2 . 17588 1 155 . 1 1 20 20 GLN HB3 H 1 2.023 0.030 . 2 . . . A 15 GLN HB3 . 17588 1 156 . 1 1 20 20 GLN HG2 H 1 2.381 0.030 . 1 . . . A 15 GLN HG2 . 17588 1 157 . 1 1 20 20 GLN HG3 H 1 2.381 0.030 . 1 . . . A 15 GLN HG3 . 17588 1 158 . 1 1 20 20 GLN HE21 H 1 6.881 0.030 . 2 . . . A 15 GLN HE21 . 17588 1 159 . 1 1 20 20 GLN HE22 H 1 7.530 0.030 . 2 . . . A 15 GLN HE22 . 17588 1 160 . 1 1 20 20 GLN C C 13 176.166 0.300 . 1 . . . A 15 GLN C . 17588 1 161 . 1 1 20 20 GLN CA C 13 56.409 0.300 . 1 . . . A 15 GLN CA . 17588 1 162 . 1 1 20 20 GLN CB C 13 29.196 0.300 . 1 . . . A 15 GLN CB . 17588 1 163 . 1 1 20 20 GLN CG C 13 33.904 0.300 . 1 . . . A 15 GLN CG . 17588 1 164 . 1 1 20 20 GLN N N 15 120.123 0.300 . 1 . . . A 15 GLN N . 17588 1 165 . 1 1 20 20 GLN NE2 N 15 112.669 0.300 . 1 . . . A 15 GLN NE2 . 17588 1 166 . 1 1 21 21 ALA H H 1 8.151 0.030 . 1 . . . A 16 ALA H . 17588 1 167 . 1 1 21 21 ALA HA H 1 4.254 0.030 . 1 . . . A 16 ALA HA . 17588 1 168 . 1 1 21 21 ALA HB1 H 1 1.402 0.030 . 1 . . . A 16 ALA HB1 . 17588 1 169 . 1 1 21 21 ALA HB2 H 1 1.402 0.030 . 1 . . . A 16 ALA HB2 . 17588 1 170 . 1 1 21 21 ALA HB3 H 1 1.402 0.030 . 1 . . . A 16 ALA HB3 . 17588 1 171 . 1 1 21 21 ALA C C 13 178.034 0.300 . 1 . . . A 16 ALA C . 17588 1 172 . 1 1 21 21 ALA CA C 13 53.126 0.300 . 1 . . . A 16 ALA CA . 17588 1 173 . 1 1 21 21 ALA CB C 13 19.071 0.300 . 1 . . . A 16 ALA CB . 17588 1 174 . 1 1 21 21 ALA N N 15 124.216 0.300 . 1 . . . A 16 ALA N . 17588 1 175 . 1 1 22 22 ARG H H 1 8.147 0.030 . 1 . . . A 17 ARG H . 17588 1 176 . 1 1 22 22 ARG HA H 1 4.308 0.030 . 1 . . . A 17 ARG HA . 17588 1 177 . 1 1 22 22 ARG HB2 H 1 1.800 0.030 . 2 . . . A 17 ARG HB2 . 17588 1 178 . 1 1 22 22 ARG HB3 H 1 1.867 0.030 . 2 . . . A 17 ARG HB3 . 17588 1 179 . 1 1 22 22 ARG HG2 H 1 1.639 0.030 . 1 . . . A 17 ARG HG2 . 17588 1 180 . 1 1 22 22 ARG HG3 H 1 1.639 0.030 . 1 . . . A 17 ARG HG3 . 17588 1 181 . 1 1 22 22 ARG HD2 H 1 3.188 0.030 . 1 . . . A 17 ARG HD2 . 17588 1 182 . 1 1 22 22 ARG HD3 H 1 3.188 0.030 . 1 . . . A 17 ARG HD3 . 17588 1 183 . 1 1 22 22 ARG C C 13 176.750 0.300 . 1 . . . A 17 ARG C . 17588 1 184 . 1 1 22 22 ARG CA C 13 56.427 0.300 . 1 . . . A 17 ARG CA . 17588 1 185 . 1 1 22 22 ARG CB C 13 30.616 0.300 . 1 . . . A 17 ARG CB . 17588 1 186 . 1 1 22 22 ARG CG C 13 27.082 0.300 . 1 . . . A 17 ARG CG . 17588 1 187 . 1 1 22 22 ARG CD C 13 43.662 0.300 . 1 . . . A 17 ARG CD . 17588 1 188 . 1 1 22 22 ARG N N 15 119.591 0.300 . 1 . . . A 17 ARG N . 17588 1 189 . 1 1 23 23 LEU H H 1 8.220 0.030 . 1 . . . A 18 LEU H . 17588 1 190 . 1 1 23 23 LEU HA H 1 4.274 0.030 . 1 . . . A 18 LEU HA . 17588 1 191 . 1 1 23 23 LEU HB2 H 1 1.676 0.030 . 2 . . . A 18 LEU HB2 . 17588 1 192 . 1 1 23 23 LEU HB3 H 1 1.566 0.030 . 2 . . . A 18 LEU HB3 . 17588 1 193 . 1 1 23 23 LEU HG H 1 1.637 0.030 . 1 . . . A 18 LEU HG . 17588 1 194 . 1 1 23 23 LEU HD11 H 1 0.908 0.030 . 2 . . . A 18 LEU HD11 . 17588 1 195 . 1 1 23 23 LEU HD12 H 1 0.908 0.030 . 2 . . . A 18 LEU HD12 . 17588 1 196 . 1 1 23 23 LEU HD13 H 1 0.908 0.030 . 2 . . . A 18 LEU HD13 . 17588 1 197 . 1 1 23 23 LEU HD21 H 1 0.862 0.030 . 2 . . . A 18 LEU HD21 . 17588 1 198 . 1 1 23 23 LEU HD22 H 1 0.862 0.030 . 2 . . . A 18 LEU HD22 . 17588 1 199 . 1 1 23 23 LEU HD23 H 1 0.862 0.030 . 2 . . . A 18 LEU HD23 . 17588 1 200 . 1 1 23 23 LEU C C 13 177.547 0.300 . 1 . . . A 18 LEU C . 17588 1 201 . 1 1 23 23 LEU CA C 13 55.690 0.300 . 1 . . . A 18 LEU CA . 17588 1 202 . 1 1 23 23 LEU CB C 13 42.082 0.300 . 1 . . . A 18 LEU CB . 17588 1 203 . 1 1 23 23 LEU CG C 13 27.018 0.300 . 1 . . . A 18 LEU CG . 17588 1 204 . 1 1 23 23 LEU CD1 C 13 25.027 0.300 . 2 . . . A 18 LEU CD1 . 17588 1 205 . 1 1 23 23 LEU CD2 C 13 23.675 0.300 . 2 . . . A 18 LEU CD2 . 17588 1 206 . 1 1 23 23 LEU N N 15 122.553 0.300 . 1 . . . A 18 LEU N . 17588 1 207 . 1 1 24 24 ASN H H 1 8.351 0.030 . 1 . . . A 19 ASN H . 17588 1 208 . 1 1 24 24 ASN HA H 1 4.673 0.030 . 1 . . . A 19 ASN HA . 17588 1 209 . 1 1 24 24 ASN HB2 H 1 2.783 0.030 . 2 . . . A 19 ASN HB2 . 17588 1 210 . 1 1 24 24 ASN HB3 H 1 2.845 0.030 . 2 . . . A 19 ASN HB3 . 17588 1 211 . 1 1 24 24 ASN HD21 H 1 6.944 0.030 . 2 . . . A 19 ASN HD21 . 17588 1 212 . 1 1 24 24 ASN HD22 H 1 7.631 0.030 . 2 . . . A 19 ASN HD22 . 17588 1 213 . 1 1 24 24 ASN C C 13 175.246 0.300 . 1 . . . A 19 ASN C . 17588 1 214 . 1 1 24 24 ASN CA C 13 53.565 0.300 . 1 . . . A 19 ASN CA . 17588 1 215 . 1 1 24 24 ASN CB C 13 38.836 0.300 . 1 . . . A 19 ASN CB . 17588 1 216 . 1 1 24 24 ASN N N 15 118.666 0.300 . 1 . . . A 19 ASN N . 17588 1 217 . 1 1 24 24 ASN ND2 N 15 113.030 0.300 . 1 . . . A 19 ASN ND2 . 17588 1 218 . 1 1 25 25 ASP H H 1 8.234 0.030 . 1 . . . A 20 ASP H . 17588 1 219 . 1 1 25 25 ASP HA H 1 4.576 0.030 . 1 . . . A 20 ASP HA . 17588 1 220 . 1 1 25 25 ASP HB2 H 1 2.676 0.030 . 1 . . . A 20 ASP HB2 . 17588 1 221 . 1 1 25 25 ASP HB3 H 1 2.676 0.030 . 1 . . . A 20 ASP HB3 . 17588 1 222 . 1 1 25 25 ASP C C 13 176.732 0.300 . 1 . . . A 20 ASP C . 17588 1 223 . 1 1 25 25 ASP CA C 13 54.706 0.300 . 1 . . . A 20 ASP CA . 17588 1 224 . 1 1 25 25 ASP CB C 13 41.219 0.300 . 1 . . . A 20 ASP CB . 17588 1 225 . 1 1 25 25 ASP N N 15 120.897 0.300 . 1 . . . A 20 ASP N . 17588 1 226 . 1 1 26 26 GLU H H 1 8.368 0.030 . 1 . . . A 21 GLU H . 17588 1 227 . 1 1 26 26 GLU HA H 1 4.214 0.030 . 1 . . . A 21 GLU HA . 17588 1 228 . 1 1 26 26 GLU HB2 H 1 1.977 0.030 . 2 . . . A 21 GLU HB2 . 17588 1 229 . 1 1 26 26 GLU HB3 H 1 2.077 0.030 . 2 . . . A 21 GLU HB3 . 17588 1 230 . 1 1 26 26 GLU HG2 H 1 2.267 0.030 . 1 . . . A 21 GLU HG2 . 17588 1 231 . 1 1 26 26 GLU HG3 H 1 2.267 0.030 . 1 . . . A 21 GLU HG3 . 17588 1 232 . 1 1 26 26 GLU C C 13 176.857 0.300 . 1 . . . A 21 GLU C . 17588 1 233 . 1 1 26 26 GLU CA C 13 57.247 0.300 . 1 . . . A 21 GLU CA . 17588 1 234 . 1 1 26 26 GLU CB C 13 29.959 0.300 . 1 . . . A 21 GLU CB . 17588 1 235 . 1 1 26 26 GLU CG C 13 36.333 0.300 . 1 . . . A 21 GLU CG . 17588 1 236 . 1 1 26 26 GLU N N 15 121.168 0.300 . 1 . . . A 21 GLU N . 17588 1 237 . 1 1 27 27 ALA H H 1 8.289 0.030 . 1 . . . A 22 ALA H . 17588 1 238 . 1 1 27 27 ALA HA H 1 4.317 0.030 . 1 . . . A 22 ALA HA . 17588 1 239 . 1 1 27 27 ALA HB1 H 1 1.402 0.030 . 1 . . . A 22 ALA HB1 . 17588 1 240 . 1 1 27 27 ALA HB2 H 1 1.402 0.030 . 1 . . . A 22 ALA HB2 . 17588 1 241 . 1 1 27 27 ALA HB3 H 1 1.402 0.030 . 1 . . . A 22 ALA HB3 . 17588 1 242 . 1 1 27 27 ALA C C 13 178.520 0.300 . 1 . . . A 22 ALA C . 17588 1 243 . 1 1 27 27 ALA CA C 13 52.986 0.300 . 1 . . . A 22 ALA CA . 17588 1 244 . 1 1 27 27 ALA CB C 13 18.945 0.300 . 1 . . . A 22 ALA CB . 17588 1 245 . 1 1 27 27 ALA N N 15 124.100 0.300 . 1 . . . A 22 ALA N . 17588 1 246 . 1 1 28 28 GLY H H 1 8.315 0.030 . 1 . . . A 23 GLY H . 17588 1 247 . 1 1 28 28 GLY HA2 H 1 3.972 0.030 . 1 . . . A 23 GLY HA2 . 17588 1 248 . 1 1 28 28 GLY HA3 H 1 3.972 0.030 . 1 . . . A 23 GLY HA3 . 17588 1 249 . 1 1 28 28 GLY C C 13 175.019 0.300 . 1 . . . A 23 GLY C . 17588 1 250 . 1 1 28 28 GLY CA C 13 45.628 0.300 . 1 . . . A 23 GLY CA . 17588 1 251 . 1 1 28 28 GLY N N 15 107.844 0.300 . 1 . . . A 23 GLY N . 17588 1 252 . 1 1 29 29 GLY H H 1 8.266 0.030 . 1 . . . A 24 GLY H . 17588 1 253 . 1 1 29 29 GLY HA2 H 1 4.013 0.030 . 1 . . . A 24 GLY HA2 . 17588 1 254 . 1 1 29 29 GLY HA3 H 1 4.013 0.030 . 1 . . . A 24 GLY HA3 . 17588 1 255 . 1 1 29 29 GLY C C 13 174.659 0.300 . 1 . . . A 24 GLY C . 17588 1 256 . 1 1 29 29 GLY CA C 13 45.487 0.300 . 1 . . . A 24 GLY CA . 17588 1 257 . 1 1 29 29 GLY N N 15 108.754 0.300 . 1 . . . A 24 GLY N . 17588 1 258 . 1 1 30 30 THR H H 1 8.111 0.030 . 1 . . . A 25 THR H . 17588 1 259 . 1 1 30 30 THR HA H 1 4.301 0.030 . 1 . . . A 25 THR HA . 17588 1 260 . 1 1 30 30 THR HB H 1 4.248 0.030 . 1 . . . A 25 THR HB . 17588 1 261 . 1 1 30 30 THR HG21 H 1 1.187 0.030 . 1 . . . A 25 THR HG21 . 17588 1 262 . 1 1 30 30 THR HG22 H 1 1.187 0.030 . 1 . . . A 25 THR HG22 . 17588 1 263 . 1 1 30 30 THR HG23 H 1 1.187 0.030 . 1 . . . A 25 THR HG23 . 17588 1 264 . 1 1 30 30 THR C C 13 174.789 0.300 . 1 . . . A 25 THR C . 17588 1 265 . 1 1 30 30 THR CA C 13 62.327 0.300 . 1 . . . A 25 THR CA . 17588 1 266 . 1 1 30 30 THR CB C 13 69.553 0.300 . 1 . . . A 25 THR CB . 17588 1 267 . 1 1 30 30 THR CG2 C 13 21.657 0.300 . 1 . . . A 25 THR CG2 . 17588 1 268 . 1 1 30 30 THR N N 15 114.068 0.300 . 1 . . . A 25 THR N . 17588 1 269 . 1 1 31 31 ARG H H 1 8.343 0.030 . 1 . . . A 26 ARG H . 17588 1 270 . 1 1 31 31 ARG HA H 1 4.299 0.030 . 1 . . . A 26 ARG HA . 17588 1 271 . 1 1 31 31 ARG HB2 H 1 1.788 0.030 . 1 . . . A 26 ARG HB2 . 17588 1 272 . 1 1 31 31 ARG HB3 H 1 1.788 0.030 . 1 . . . A 26 ARG HB3 . 17588 1 273 . 1 1 31 31 ARG HG2 H 1 1.606 0.030 . 1 . . . A 26 ARG HG2 . 17588 1 274 . 1 1 31 31 ARG HG3 H 1 1.606 0.030 . 1 . . . A 26 ARG HG3 . 17588 1 275 . 1 1 31 31 ARG HD2 H 1 3.183 0.030 . 1 . . . A 26 ARG HD2 . 17588 1 276 . 1 1 31 31 ARG HD3 H 1 3.183 0.030 . 1 . . . A 26 ARG HD3 . 17588 1 277 . 1 1 31 31 ARG C C 13 176.125 0.300 . 1 . . . A 26 ARG C . 17588 1 278 . 1 1 31 31 ARG CA C 13 56.462 0.300 . 1 . . . A 26 ARG CA . 17588 1 279 . 1 1 31 31 ARG CB C 13 30.657 0.300 . 1 . . . A 26 ARG CB . 17588 1 280 . 1 1 31 31 ARG CG C 13 27.082 0.300 . 1 . . . A 26 ARG CG . 17588 1 281 . 1 1 31 31 ARG CD C 13 43.274 0.300 . 1 . . . A 26 ARG CD . 17588 1 282 . 1 1 31 31 ARG N N 15 123.536 0.300 . 1 . . . A 26 ARG N . 17588 1 283 . 1 1 32 32 LEU H H 1 8.203 0.030 . 1 . . . A 27 LEU H . 17588 1 284 . 1 1 32 32 LEU HA H 1 4.319 0.030 . 1 . . . A 27 LEU HA . 17588 1 285 . 1 1 32 32 LEU HB2 H 1 1.553 0.030 . 1 . . . A 27 LEU HB2 . 17588 1 286 . 1 1 32 32 LEU HB3 H 1 1.553 0.030 . 1 . . . A 27 LEU HB3 . 17588 1 287 . 1 1 32 32 LEU HG H 1 1.584 0.030 . 1 . . . A 27 LEU HG . 17588 1 288 . 1 1 32 32 LEU HD11 H 1 0.905 0.030 . 2 . . . A 27 LEU HD11 . 17588 1 289 . 1 1 32 32 LEU HD12 H 1 0.905 0.030 . 2 . . . A 27 LEU HD12 . 17588 1 290 . 1 1 32 32 LEU HD13 H 1 0.905 0.030 . 2 . . . A 27 LEU HD13 . 17588 1 291 . 1 1 32 32 LEU HD21 H 1 0.844 0.030 . 2 . . . A 27 LEU HD21 . 17588 1 292 . 1 1 32 32 LEU HD22 H 1 0.844 0.030 . 2 . . . A 27 LEU HD22 . 17588 1 293 . 1 1 32 32 LEU HD23 H 1 0.844 0.030 . 2 . . . A 27 LEU HD23 . 17588 1 294 . 1 1 32 32 LEU C C 13 177.036 0.300 . 1 . . . A 27 LEU C . 17588 1 295 . 1 1 32 32 LEU CA C 13 55.233 0.300 . 1 . . . A 27 LEU CA . 17588 1 296 . 1 1 32 32 LEU CB C 13 42.264 0.300 . 1 . . . A 27 LEU CB . 17588 1 297 . 1 1 32 32 LEU CG C 13 27.082 0.300 . 1 . . . A 27 LEU CG . 17588 1 298 . 1 1 32 32 LEU CD1 C 13 24.781 0.300 . 2 . . . A 27 LEU CD1 . 17588 1 299 . 1 1 32 32 LEU CD2 C 13 23.551 0.300 . 2 . . . A 27 LEU CD2 . 17588 1 300 . 1 1 32 32 LEU N N 15 122.865 0.300 . 1 . . . A 27 LEU N . 17588 1 301 . 1 1 33 33 LEU H H 1 8.150 0.030 . 1 . . . A 28 LEU H . 17588 1 302 . 1 1 33 33 LEU HA H 1 4.336 0.030 . 1 . . . A 28 LEU HA . 17588 1 303 . 1 1 33 33 LEU HB2 H 1 1.623 0.030 . 1 . . . A 28 LEU HB2 . 17588 1 304 . 1 1 33 33 LEU HB3 H 1 1.623 0.030 . 1 . . . A 28 LEU HB3 . 17588 1 305 . 1 1 33 33 LEU HG H 1 1.585 0.030 . 1 . . . A 28 LEU HG . 17588 1 306 . 1 1 33 33 LEU HD11 H 1 0.905 0.030 . 2 . . . A 28 LEU HD11 . 17588 1 307 . 1 1 33 33 LEU HD12 H 1 0.905 0.030 . 2 . . . A 28 LEU HD12 . 17588 1 308 . 1 1 33 33 LEU HD13 H 1 0.905 0.030 . 2 . . . A 28 LEU HD13 . 17588 1 309 . 1 1 33 33 LEU HD21 H 1 0.845 0.030 . 2 . . . A 28 LEU HD21 . 17588 1 310 . 1 1 33 33 LEU HD22 H 1 0.845 0.030 . 2 . . . A 28 LEU HD22 . 17588 1 311 . 1 1 33 33 LEU HD23 H 1 0.845 0.030 . 2 . . . A 28 LEU HD23 . 17588 1 312 . 1 1 33 33 LEU C C 13 177.022 0.300 . 1 . . . A 28 LEU C . 17588 1 313 . 1 1 33 33 LEU CA C 13 55.069 0.300 . 1 . . . A 28 LEU CA . 17588 1 314 . 1 1 33 33 LEU CB C 13 42.288 0.300 . 1 . . . A 28 LEU CB . 17588 1 315 . 1 1 33 33 LEU CG C 13 27.146 0.300 . 1 . . . A 28 LEU CG . 17588 1 316 . 1 1 33 33 LEU CD1 C 13 24.973 0.300 . 2 . . . A 28 LEU CD1 . 17588 1 317 . 1 1 33 33 LEU CD2 C 13 23.694 0.300 . 2 . . . A 28 LEU CD2 . 17588 1 318 . 1 1 33 33 LEU N N 15 123.054 0.300 . 1 . . . A 28 LEU N . 17588 1 319 . 1 1 34 34 ARG H H 1 8.248 0.030 . 1 . . . A 29 ARG H . 17588 1 320 . 1 1 34 34 ARG HA H 1 4.337 0.030 . 1 . . . A 29 ARG HA . 17588 1 321 . 1 1 34 34 ARG HB2 H 1 1.728 0.030 . 2 . . . A 29 ARG HB2 . 17588 1 322 . 1 1 34 34 ARG HB3 H 1 1.782 0.030 . 2 . . . A 29 ARG HB3 . 17588 1 323 . 1 1 34 34 ARG HG2 H 1 1.532 0.030 . 1 . . . A 29 ARG HG2 . 17588 1 324 . 1 1 34 34 ARG HG3 H 1 1.532 0.030 . 1 . . . A 29 ARG HG3 . 17588 1 325 . 1 1 34 34 ARG HD2 H 1 3.156 0.030 . 1 . . . A 29 ARG HD2 . 17588 1 326 . 1 1 34 34 ARG HD3 H 1 3.156 0.030 . 1 . . . A 29 ARG HD3 . 17588 1 327 . 1 1 34 34 ARG C C 13 175.950 0.300 . 1 . . . A 29 ARG C . 17588 1 328 . 1 1 34 34 ARG CA C 13 55.918 0.300 . 1 . . . A 29 ARG CA . 17588 1 329 . 1 1 34 34 ARG CB C 13 30.781 0.300 . 1 . . . A 29 ARG CB . 17588 1 330 . 1 1 34 34 ARG CG C 13 27.082 0.300 . 1 . . . A 29 ARG CG . 17588 1 331 . 1 1 34 34 ARG CD C 13 43.274 0.300 . 1 . . . A 29 ARG CD . 17588 1 332 . 1 1 34 34 ARG N N 15 122.226 0.300 . 1 . . . A 29 ARG N . 17588 1 333 . 1 1 35 35 VAL H H 1 8.107 0.030 . 1 . . . A 30 VAL H . 17588 1 334 . 1 1 35 35 VAL HA H 1 4.041 0.030 . 1 . . . A 30 VAL HA . 17588 1 335 . 1 1 35 35 VAL HB H 1 1.958 0.030 . 1 . . . A 30 VAL HB . 17588 1 336 . 1 1 35 35 VAL HG11 H 1 0.779 0.030 . 2 . . . A 30 VAL HG11 . 17588 1 337 . 1 1 35 35 VAL HG12 H 1 0.779 0.030 . 2 . . . A 30 VAL HG12 . 17588 1 338 . 1 1 35 35 VAL HG13 H 1 0.779 0.030 . 2 . . . A 30 VAL HG13 . 17588 1 339 . 1 1 35 35 VAL HG21 H 1 0.850 0.030 . 2 . . . A 30 VAL HG21 . 17588 1 340 . 1 1 35 35 VAL HG22 H 1 0.850 0.030 . 2 . . . A 30 VAL HG22 . 17588 1 341 . 1 1 35 35 VAL HG23 H 1 0.850 0.030 . 2 . . . A 30 VAL HG23 . 17588 1 342 . 1 1 35 35 VAL C C 13 175.709 0.300 . 1 . . . A 30 VAL C . 17588 1 343 . 1 1 35 35 VAL CA C 13 62.240 0.300 . 1 . . . A 30 VAL CA . 17588 1 344 . 1 1 35 35 VAL CB C 13 32.753 0.300 . 1 . . . A 30 VAL CB . 17588 1 345 . 1 1 35 35 VAL CG1 C 13 21.029 0.300 . 2 . . . A 30 VAL CG1 . 17588 1 346 . 1 1 35 35 VAL CG2 C 13 20.517 0.300 . 2 . . . A 30 VAL CG2 . 17588 1 347 . 1 1 35 35 VAL N N 15 121.294 0.300 . 1 . . . A 30 VAL N . 17588 1 348 . 1 1 36 36 HIS H H 1 8.410 0.030 . 1 . . . A 31 HIS H . 17588 1 349 . 1 1 36 36 HIS HA H 1 4.598 0.030 . 1 . . . A 31 HIS HA . 17588 1 350 . 1 1 36 36 HIS HB2 H 1 3.086 0.030 . 2 . . . A 31 HIS HB2 . 17588 1 351 . 1 1 36 36 HIS HB3 H 1 3.022 0.030 . 2 . . . A 31 HIS HB3 . 17588 1 352 . 1 1 36 36 HIS HD2 H 1 7.000 0.030 . 1 . . . A 31 HIS HD2 . 17588 1 353 . 1 1 36 36 HIS HE1 H 1 7.904 0.030 . 1 . . . A 31 HIS HE1 . 17588 1 354 . 1 1 36 36 HIS C C 13 174.825 0.300 . 1 . . . A 31 HIS C . 17588 1 355 . 1 1 36 36 HIS CA C 13 56.111 0.300 . 1 . . . A 31 HIS CA . 17588 1 356 . 1 1 36 36 HIS CB C 13 30.944 0.300 . 1 . . . A 31 HIS CB . 17588 1 357 . 1 1 36 36 HIS CD2 C 13 119.885 0.300 . 1 . . . A 31 HIS CD2 . 17588 1 358 . 1 1 36 36 HIS CE1 C 13 138.100 0.300 . 1 . . . A 31 HIS CE1 . 17588 1 359 . 1 1 36 36 HIS N N 15 123.522 0.300 . 1 . . . A 31 HIS N . 17588 1 360 . 1 1 37 37 HIS HA H 1 4.600 0.030 . 1 . . . A 32 HIS HA . 17588 1 361 . 1 1 37 37 HIS HB2 H 1 3.055 0.030 . 1 . . . A 32 HIS HB2 . 17588 1 362 . 1 1 37 37 HIS HB3 H 1 3.055 0.030 . 1 . . . A 32 HIS HB3 . 17588 1 363 . 1 1 37 37 HIS HD2 H 1 7.020 0.030 . 1 . . . A 32 HIS HD2 . 17588 1 364 . 1 1 37 37 HIS HE1 H 1 7.904 0.030 . 1 . . . A 32 HIS HE1 . 17588 1 365 . 1 1 37 37 HIS C C 13 175.173 0.300 . 1 . . . A 32 HIS C . 17588 1 366 . 1 1 37 37 HIS CA C 13 56.217 0.300 . 1 . . . A 32 HIS CA . 17588 1 367 . 1 1 37 37 HIS CB C 13 31.027 0.300 . 1 . . . A 32 HIS CB . 17588 1 368 . 1 1 37 37 HIS CD2 C 13 119.967 0.300 . 1 . . . A 32 HIS CD2 . 17588 1 369 . 1 1 37 37 HIS CE1 C 13 138.100 0.300 . 1 . . . A 32 HIS CE1 . 17588 1 370 . 1 1 38 38 GLU H H 1 8.569 0.030 . 1 . . . A 33 GLU H . 17588 1 371 . 1 1 38 38 GLU HA H 1 4.255 0.030 . 1 . . . A 33 GLU HA . 17588 1 372 . 1 1 38 38 GLU HB2 H 1 2.050 0.030 . 1 . . . A 33 GLU HB2 . 17588 1 373 . 1 1 38 38 GLU HB3 H 1 2.050 0.030 . 1 . . . A 33 GLU HB3 . 17588 1 374 . 1 1 38 38 GLU HG2 H 1 2.252 0.030 . 1 . . . A 33 GLU HG2 . 17588 1 375 . 1 1 38 38 GLU HG3 H 1 2.252 0.030 . 1 . . . A 33 GLU HG3 . 17588 1 376 . 1 1 38 38 GLU C C 13 176.483 0.300 . 1 . . . A 33 GLU C . 17588 1 377 . 1 1 38 38 GLU CA C 13 56.919 0.300 . 1 . . . A 33 GLU CA . 17588 1 378 . 1 1 38 38 GLU CB C 13 30.328 0.300 . 1 . . . A 33 GLU CB . 17588 1 379 . 1 1 38 38 GLU CG C 13 36.205 0.300 . 1 . . . A 33 GLU CG . 17588 1 380 . 1 1 38 38 GLU N N 15 122.826 0.300 . 1 . . . A 33 GLU N . 17588 1 381 . 1 1 39 39 SER H H 1 8.444 0.030 . 1 . . . A 34 SER H . 17588 1 382 . 1 1 39 39 SER HA H 1 4.454 0.030 . 1 . . . A 34 SER HA . 17588 1 383 . 1 1 39 39 SER HB2 H 1 3.888 0.030 . 1 . . . A 34 SER HB2 . 17588 1 384 . 1 1 39 39 SER HB3 H 1 3.888 0.030 . 1 . . . A 34 SER HB3 . 17588 1 385 . 1 1 39 39 SER C C 13 174.497 0.300 . 1 . . . A 34 SER C . 17588 1 386 . 1 1 39 39 SER CA C 13 58.552 0.300 . 1 . . . A 34 SER CA . 17588 1 387 . 1 1 39 39 SER CB C 13 64.028 0.300 . 1 . . . A 34 SER CB . 17588 1 388 . 1 1 39 39 SER N N 15 116.398 0.300 . 1 . . . A 34 SER N . 17588 1 389 . 1 1 40 40 ASP H H 1 8.469 0.030 . 1 . . . A 35 ASP H . 17588 1 390 . 1 1 40 40 ASP HA H 1 4.672 0.030 . 1 . . . A 35 ASP HA . 17588 1 391 . 1 1 40 40 ASP HB2 H 1 2.729 0.030 . 1 . . . A 35 ASP HB2 . 17588 1 392 . 1 1 40 40 ASP HB3 H 1 2.729 0.030 . 1 . . . A 35 ASP HB3 . 17588 1 393 . 1 1 40 40 ASP C C 13 176.783 0.300 . 1 . . . A 35 ASP C . 17588 1 394 . 1 1 40 40 ASP CA C 13 54.759 0.300 . 1 . . . A 35 ASP CA . 17588 1 395 . 1 1 40 40 ASP CB C 13 41.014 0.300 . 1 . . . A 35 ASP CB . 17588 1 396 . 1 1 40 40 ASP N N 15 122.831 0.300 . 1 . . . A 35 ASP N . 17588 1 397 . 1 1 41 41 THR H H 1 8.066 0.030 . 1 . . . A 36 THR H . 17588 1 398 . 1 1 41 41 THR HA H 1 4.181 0.030 . 1 . . . A 36 THR HA . 17588 1 399 . 1 1 41 41 THR HB H 1 4.251 0.030 . 1 . . . A 36 THR HB . 17588 1 400 . 1 1 41 41 THR HG21 H 1 1.184 0.030 . 1 . . . A 36 THR HG21 . 17588 1 401 . 1 1 41 41 THR HG22 H 1 1.184 0.030 . 1 . . . A 36 THR HG22 . 17588 1 402 . 1 1 41 41 THR HG23 H 1 1.184 0.030 . 1 . . . A 36 THR HG23 . 17588 1 403 . 1 1 41 41 THR C C 13 175.314 0.300 . 1 . . . A 36 THR C . 17588 1 404 . 1 1 41 41 THR CA C 13 62.819 0.300 . 1 . . . A 36 THR CA . 17588 1 405 . 1 1 41 41 THR CB C 13 69.576 0.300 . 1 . . . A 36 THR CB . 17588 1 406 . 1 1 41 41 THR CG2 C 13 21.740 0.300 . 1 . . . A 36 THR CG2 . 17588 1 407 . 1 1 41 41 THR N N 15 113.679 0.300 . 1 . . . A 36 THR N . 17588 1 408 . 1 1 42 42 GLU H H 1 8.343 0.030 . 1 . . . A 37 GLU H . 17588 1 409 . 1 1 42 42 GLU HA H 1 4.208 0.030 . 1 . . . A 37 GLU HA . 17588 1 410 . 1 1 42 42 GLU HB2 H 1 1.977 0.030 . 2 . . . A 37 GLU HB2 . 17588 1 411 . 1 1 42 42 GLU HB3 H 1 2.068 0.030 . 2 . . . A 37 GLU HB3 . 17588 1 412 . 1 1 42 42 GLU HG2 H 1 2.232 0.030 . 1 . . . A 37 GLU HG2 . 17588 1 413 . 1 1 42 42 GLU HG3 H 1 2.232 0.030 . 1 . . . A 37 GLU HG3 . 17588 1 414 . 1 1 42 42 GLU C C 13 177.129 0.300 . 1 . . . A 37 GLU C . 17588 1 415 . 1 1 42 42 GLU CA C 13 57.322 0.300 . 1 . . . A 37 GLU CA . 17588 1 416 . 1 1 42 42 GLU CB C 13 30.000 0.300 . 1 . . . A 37 GLU CB . 17588 1 417 . 1 1 42 42 GLU CG C 13 36.452 0.300 . 1 . . . A 37 GLU CG . 17588 1 418 . 1 1 42 42 GLU N N 15 122.776 0.300 . 1 . . . A 37 GLU N . 17588 1 419 . 1 1 43 43 GLU H H 1 8.397 0.030 . 1 . . . A 38 GLU H . 17588 1 420 . 1 1 43 43 GLU HA H 1 4.211 0.030 . 1 . . . A 38 GLU HA . 17588 1 421 . 1 1 43 43 GLU HB2 H 1 2.042 0.030 . 1 . . . A 38 GLU HB2 . 17588 1 422 . 1 1 43 43 GLU HB3 H 1 2.042 0.030 . 1 . . . A 38 GLU HB3 . 17588 1 423 . 1 1 43 43 GLU HG2 H 1 2.276 0.030 . 1 . . . A 38 GLU HG2 . 17588 1 424 . 1 1 43 43 GLU HG3 H 1 2.276 0.030 . 1 . . . A 38 GLU HG3 . 17588 1 425 . 1 1 43 43 GLU C C 13 177.313 0.300 . 1 . . . A 38 GLU C . 17588 1 426 . 1 1 43 43 GLU CA C 13 57.453 0.300 . 1 . . . A 38 GLU CA . 17588 1 427 . 1 1 43 43 GLU CB C 13 29.959 0.300 . 1 . . . A 38 GLU CB . 17588 1 428 . 1 1 43 43 GLU CG C 13 36.288 0.300 . 1 . . . A 38 GLU CG . 17588 1 429 . 1 1 43 43 GLU N N 15 121.898 0.300 . 1 . . . A 38 GLU N . 17588 1 430 . 1 1 44 44 ARG H H 1 8.401 0.030 . 1 . . . A 39 ARG H . 17588 1 431 . 1 1 44 44 ARG HA H 1 4.226 0.030 . 1 . . . A 39 ARG HA . 17588 1 432 . 1 1 44 44 ARG HB2 H 1 1.876 0.030 . 1 . . . A 39 ARG HB2 . 17588 1 433 . 1 1 44 44 ARG HB3 H 1 1.876 0.030 . 1 . . . A 39 ARG HB3 . 17588 1 434 . 1 1 44 44 ARG HG2 H 1 1.649 0.030 . 2 . . . A 39 ARG HG2 . 17588 1 435 . 1 1 44 44 ARG HG3 H 1 1.740 0.030 . 2 . . . A 39 ARG HG3 . 17588 1 436 . 1 1 44 44 ARG HD2 H 1 3.220 0.030 . 1 . . . A 39 ARG HD2 . 17588 1 437 . 1 1 44 44 ARG HD3 H 1 3.220 0.030 . 1 . . . A 39 ARG HD3 . 17588 1 438 . 1 1 44 44 ARG C C 13 178.048 0.300 . 1 . . . A 39 ARG C . 17588 1 439 . 1 1 44 44 ARG CA C 13 57.779 0.300 . 1 . . . A 39 ARG CA . 17588 1 440 . 1 1 44 44 ARG CB C 13 30.366 0.300 . 1 . . . A 39 ARG CB . 17588 1 441 . 1 1 44 44 ARG CG C 13 27.270 0.300 . 1 . . . A 39 ARG CG . 17588 1 442 . 1 1 44 44 ARG CD C 13 43.356 0.300 . 1 . . . A 39 ARG CD . 17588 1 443 . 1 1 44 44 ARG N N 15 121.336 0.300 . 1 . . . A 39 ARG N . 17588 1 444 . 1 1 45 45 GLY H H 1 8.536 0.030 . 1 . . . A 40 GLY H . 17588 1 445 . 1 1 45 45 GLY HA2 H 1 4.021 0.030 . 1 . . . A 40 GLY HA2 . 17588 1 446 . 1 1 45 45 GLY HA3 H 1 4.021 0.030 . 1 . . . A 40 GLY HA3 . 17588 1 447 . 1 1 45 45 GLY C C 13 175.522 0.300 . 1 . . . A 40 GLY C . 17588 1 448 . 1 1 45 45 GLY CA C 13 46.400 0.300 . 1 . . . A 40 GLY CA . 17588 1 449 . 1 1 45 45 GLY N N 15 109.098 0.300 . 1 . . . A 40 GLY N . 17588 1 450 . 1 1 46 46 PHE H H 1 8.071 0.030 . 1 . . . A 41 PHE H . 17588 1 451 . 1 1 46 46 PHE HA H 1 4.417 0.030 . 1 . . . A 41 PHE HA . 17588 1 452 . 1 1 46 46 PHE HB2 H 1 3.243 0.030 . 1 . . . A 41 PHE HB2 . 17588 1 453 . 1 1 46 46 PHE HB3 H 1 3.243 0.030 . 1 . . . A 41 PHE HB3 . 17588 1 454 . 1 1 46 46 PHE HD1 H 1 7.268 0.030 . 1 . . . A 41 PHE HD1 . 17588 1 455 . 1 1 46 46 PHE HD2 H 1 7.268 0.030 . 1 . . . A 41 PHE HD2 . 17588 1 456 . 1 1 46 46 PHE HE1 H 1 7.373 0.030 . 1 . . . A 41 PHE HE1 . 17588 1 457 . 1 1 46 46 PHE HE2 H 1 7.373 0.030 . 1 . . . A 41 PHE HE2 . 17588 1 458 . 1 1 46 46 PHE HZ H 1 7.316 0.030 . 1 . . . A 41 PHE HZ . 17588 1 459 . 1 1 46 46 PHE C C 13 177.561 0.300 . 1 . . . A 41 PHE C . 17588 1 460 . 1 1 46 46 PHE CA C 13 60.080 0.300 . 1 . . . A 41 PHE CA . 17588 1 461 . 1 1 46 46 PHE CB C 13 38.911 0.300 . 1 . . . A 41 PHE CB . 17588 1 462 . 1 1 46 46 PHE CD1 C 13 131.814 0.300 . 1 . . . A 41 PHE CD1 . 17588 1 463 . 1 1 46 46 PHE CD2 C 13 131.814 0.300 . 1 . . . A 41 PHE CD2 . 17588 1 464 . 1 1 46 46 PHE CE1 C 13 131.640 0.300 . 1 . . . A 41 PHE CE1 . 17588 1 465 . 1 1 46 46 PHE CE2 C 13 131.640 0.300 . 1 . . . A 41 PHE CE2 . 17588 1 466 . 1 1 46 46 PHE CZ C 13 130.073 0.300 . 1 . . . A 41 PHE CZ . 17588 1 467 . 1 1 46 46 PHE N N 15 121.592 0.300 . 1 . . . A 41 PHE N . 17588 1 468 . 1 1 47 47 LEU H H 1 8.215 0.030 . 1 . . . A 42 LEU H . 17588 1 469 . 1 1 47 47 LEU HA H 1 4.042 0.030 . 1 . . . A 42 LEU HA . 17588 1 470 . 1 1 47 47 LEU HB2 H 1 1.820 0.030 . 2 . . . A 42 LEU HB2 . 17588 1 471 . 1 1 47 47 LEU HB3 H 1 1.519 0.030 . 2 . . . A 42 LEU HB3 . 17588 1 472 . 1 1 47 47 LEU HG H 1 1.702 0.030 . 1 . . . A 42 LEU HG . 17588 1 473 . 1 1 47 47 LEU HD11 H 1 0.927 0.030 . 2 . . . A 42 LEU HD11 . 17588 1 474 . 1 1 47 47 LEU HD12 H 1 0.927 0.030 . 2 . . . A 42 LEU HD12 . 17588 1 475 . 1 1 47 47 LEU HD13 H 1 0.927 0.030 . 2 . . . A 42 LEU HD13 . 17588 1 476 . 1 1 47 47 LEU HD21 H 1 0.899 0.030 . 2 . . . A 42 LEU HD21 . 17588 1 477 . 1 1 47 47 LEU HD22 H 1 0.899 0.030 . 2 . . . A 42 LEU HD22 . 17588 1 478 . 1 1 47 47 LEU HD23 H 1 0.899 0.030 . 2 . . . A 42 LEU HD23 . 17588 1 479 . 1 1 47 47 LEU C C 13 179.621 0.300 . 1 . . . A 42 LEU C . 17588 1 480 . 1 1 47 47 LEU CA C 13 57.460 0.300 . 1 . . . A 42 LEU CA . 17588 1 481 . 1 1 47 47 LEU CB C 13 41.637 0.300 . 1 . . . A 42 LEU CB . 17588 1 482 . 1 1 47 47 LEU CG C 13 26.978 0.300 . 1 . . . A 42 LEU CG . 17588 1 483 . 1 1 47 47 LEU CD1 C 13 25.513 0.300 . 2 . . . A 42 LEU CD1 . 17588 1 484 . 1 1 47 47 LEU CD2 C 13 23.076 0.300 . 2 . . . A 42 LEU CD2 . 17588 1 485 . 1 1 47 47 LEU N N 15 121.344 0.300 . 1 . . . A 42 LEU N . 17588 1 486 . 1 1 48 48 GLU H H 1 8.225 0.030 . 1 . . . A 43 GLU H . 17588 1 487 . 1 1 48 48 GLU HA H 1 3.988 0.030 . 1 . . . A 43 GLU HA . 17588 1 488 . 1 1 48 48 GLU HB2 H 1 2.026 0.030 . 1 . . . A 43 GLU HB2 . 17588 1 489 . 1 1 48 48 GLU HB3 H 1 2.026 0.030 . 1 . . . A 43 GLU HB3 . 17588 1 490 . 1 1 48 48 GLU HG2 H 1 2.093 0.030 . 2 . . . A 43 GLU HG2 . 17588 1 491 . 1 1 48 48 GLU HG3 H 1 2.256 0.030 . 2 . . . A 43 GLU HG3 . 17588 1 492 . 1 1 48 48 GLU C C 13 177.573 0.300 . 1 . . . A 43 GLU C . 17588 1 493 . 1 1 48 48 GLU CA C 13 59.307 0.300 . 1 . . . A 43 GLU CA . 17588 1 494 . 1 1 48 48 GLU CB C 13 29.648 0.300 . 1 . . . A 43 GLU CB . 17588 1 495 . 1 1 48 48 GLU CG C 13 36.534 0.300 . 1 . . . A 43 GLU CG . 17588 1 496 . 1 1 48 48 GLU N N 15 121.986 0.300 . 1 . . . A 43 GLU N . 17588 1 497 . 1 1 49 49 LYS H H 1 7.790 0.030 . 1 . . . A 44 LYS H . 17588 1 498 . 1 1 49 49 LYS HA H 1 3.243 0.030 . 1 . . . A 44 LYS HA . 17588 1 499 . 1 1 49 49 LYS HB2 H 1 1.847 0.030 . 2 . . . A 44 LYS HB2 . 17588 1 500 . 1 1 49 49 LYS HB3 H 1 1.796 0.030 . 2 . . . A 44 LYS HB3 . 17588 1 501 . 1 1 49 49 LYS HG2 H 1 1.548 0.030 . 2 . . . A 44 LYS HG2 . 17588 1 502 . 1 1 49 49 LYS HG3 H 1 1.319 0.030 . 2 . . . A 44 LYS HG3 . 17588 1 503 . 1 1 49 49 LYS HD2 H 1 1.781 0.030 . 1 . . . A 44 LYS HD2 . 17588 1 504 . 1 1 49 49 LYS HD3 H 1 1.781 0.030 . 1 . . . A 44 LYS HD3 . 17588 1 505 . 1 1 49 49 LYS HE2 H 1 3.080 0.030 . 2 . . . A 44 LYS HE2 . 17588 1 506 . 1 1 49 49 LYS HE3 H 1 3.005 0.030 . 2 . . . A 44 LYS HE3 . 17588 1 507 . 1 1 49 49 LYS C C 13 177.659 0.300 . 1 . . . A 44 LYS C . 17588 1 508 . 1 1 49 49 LYS CA C 13 59.886 0.300 . 1 . . . A 44 LYS CA . 17588 1 509 . 1 1 49 49 LYS CB C 13 32.302 0.300 . 1 . . . A 44 LYS CB . 17588 1 510 . 1 1 49 49 LYS CG C 13 24.945 0.300 . 1 . . . A 44 LYS CG . 17588 1 511 . 1 1 49 49 LYS CD C 13 30.001 0.300 . 1 . . . A 44 LYS CD . 17588 1 512 . 1 1 49 49 LYS CE C 13 42.141 0.300 . 1 . . . A 44 LYS CE . 17588 1 513 . 1 1 49 49 LYS N N 15 118.759 0.300 . 1 . . . A 44 LYS N . 17588 1 514 . 1 1 50 50 ALA H H 1 7.798 0.030 . 1 . . . A 45 ALA H . 17588 1 515 . 1 1 50 50 ALA HA H 1 3.959 0.030 . 1 . . . A 45 ALA HA . 17588 1 516 . 1 1 50 50 ALA HB1 H 1 1.351 0.030 . 1 . . . A 45 ALA HB1 . 17588 1 517 . 1 1 50 50 ALA HB2 H 1 1.351 0.030 . 1 . . . A 45 ALA HB2 . 17588 1 518 . 1 1 50 50 ALA HB3 H 1 1.351 0.030 . 1 . . . A 45 ALA HB3 . 17588 1 519 . 1 1 50 50 ALA C C 13 180.486 0.300 . 1 . . . A 45 ALA C . 17588 1 520 . 1 1 50 50 ALA CA C 13 54.882 0.300 . 1 . . . A 45 ALA CA . 17588 1 521 . 1 1 50 50 ALA CB C 13 17.877 0.300 . 1 . . . A 45 ALA CB . 17588 1 522 . 1 1 50 50 ALA N N 15 120.023 0.300 . 1 . . . A 45 ALA N . 17588 1 523 . 1 1 51 51 ALA H H 1 7.809 0.030 . 1 . . . A 46 ALA H . 17588 1 524 . 1 1 51 51 ALA HA H 1 4.113 0.030 . 1 . . . A 46 ALA HA . 17588 1 525 . 1 1 51 51 ALA HB1 H 1 1.523 0.030 . 1 . . . A 46 ALA HB1 . 17588 1 526 . 1 1 51 51 ALA HB2 H 1 1.523 0.030 . 1 . . . A 46 ALA HB2 . 17588 1 527 . 1 1 51 51 ALA HB3 H 1 1.523 0.030 . 1 . . . A 46 ALA HB3 . 17588 1 528 . 1 1 51 51 ALA C C 13 180.762 0.300 . 1 . . . A 46 ALA C . 17588 1 529 . 1 1 51 51 ALA CA C 13 55.111 0.300 . 1 . . . A 46 ALA CA . 17588 1 530 . 1 1 51 51 ALA CB C 13 18.041 0.300 . 1 . . . A 46 ALA CB . 17588 1 531 . 1 1 51 51 ALA N N 15 121.955 0.300 . 1 . . . A 46 ALA N . 17588 1 532 . 1 1 52 52 VAL H H 1 7.944 0.030 . 1 . . . A 47 VAL H . 17588 1 533 . 1 1 52 52 VAL HA H 1 3.650 0.030 . 1 . . . A 47 VAL HA . 17588 1 534 . 1 1 52 52 VAL HB H 1 1.386 0.030 . 1 . . . A 47 VAL HB . 17588 1 535 . 1 1 52 52 VAL HG11 H 1 0.192 0.030 . 2 . . . A 47 VAL HG11 . 17588 1 536 . 1 1 52 52 VAL HG12 H 1 0.192 0.030 . 2 . . . A 47 VAL HG12 . 17588 1 537 . 1 1 52 52 VAL HG13 H 1 0.192 0.030 . 2 . . . A 47 VAL HG13 . 17588 1 538 . 1 1 52 52 VAL HG21 H 1 0.134 0.030 . 2 . . . A 47 VAL HG21 . 17588 1 539 . 1 1 52 52 VAL HG22 H 1 0.134 0.030 . 2 . . . A 47 VAL HG22 . 17588 1 540 . 1 1 52 52 VAL HG23 H 1 0.134 0.030 . 2 . . . A 47 VAL HG23 . 17588 1 541 . 1 1 52 52 VAL C C 13 178.567 0.300 . 1 . . . A 47 VAL C . 17588 1 542 . 1 1 52 52 VAL CA C 13 67.227 0.300 . 1 . . . A 47 VAL CA . 17588 1 543 . 1 1 52 52 VAL CB C 13 31.110 0.300 . 1 . . . A 47 VAL CB . 17588 1 544 . 1 1 52 52 VAL CG1 C 13 21.434 0.300 . 2 . . . A 47 VAL CG1 . 17588 1 545 . 1 1 52 52 VAL CG2 C 13 22.678 0.300 . 2 . . . A 47 VAL CG2 . 17588 1 546 . 1 1 52 52 VAL N N 15 120.415 0.300 . 1 . . . A 47 VAL N . 17588 1 547 . 1 1 53 53 LYS H H 1 8.132 0.030 . 1 . . . A 48 LYS H . 17588 1 548 . 1 1 53 53 LYS HA H 1 3.564 0.030 . 1 . . . A 48 LYS HA . 17588 1 549 . 1 1 53 53 LYS HB2 H 1 1.795 0.030 . 1 . . . A 48 LYS HB2 . 17588 1 550 . 1 1 53 53 LYS HB3 H 1 1.795 0.030 . 1 . . . A 48 LYS HB3 . 17588 1 551 . 1 1 53 53 LYS HG2 H 1 1.011 0.030 . 2 . . . A 48 LYS HG2 . 17588 1 552 . 1 1 53 53 LYS HG3 H 1 1.593 0.030 . 2 . . . A 48 LYS HG3 . 17588 1 553 . 1 1 53 53 LYS HD2 H 1 1.716 0.030 . 1 . . . A 48 LYS HD2 . 17588 1 554 . 1 1 53 53 LYS HD3 H 1 1.716 0.030 . 1 . . . A 48 LYS HD3 . 17588 1 555 . 1 1 53 53 LYS HE2 H 1 3.028 0.030 . 2 . . . A 48 LYS HE2 . 17588 1 556 . 1 1 53 53 LYS HE3 H 1 2.960 0.030 . 2 . . . A 48 LYS HE3 . 17588 1 557 . 1 1 53 53 LYS C C 13 178.546 0.300 . 1 . . . A 48 LYS C . 17588 1 558 . 1 1 53 53 LYS CA C 13 60.720 0.300 . 1 . . . A 48 LYS CA . 17588 1 559 . 1 1 53 53 LYS CB C 13 32.251 0.300 . 1 . . . A 48 LYS CB . 17588 1 560 . 1 1 53 53 LYS CG C 13 27.082 0.300 . 1 . . . A 48 LYS CG . 17588 1 561 . 1 1 53 53 LYS CD C 13 29.451 0.300 . 1 . . . A 48 LYS CD . 17588 1 562 . 1 1 53 53 LYS CE C 13 42.333 0.300 . 1 . . . A 48 LYS CE . 17588 1 563 . 1 1 53 53 LYS N N 15 119.231 0.300 . 1 . . . A 48 LYS N . 17588 1 564 . 1 1 54 54 LYS H H 1 7.956 0.030 . 1 . . . A 49 LYS H . 17588 1 565 . 1 1 54 54 LYS HA H 1 3.993 0.030 . 1 . . . A 49 LYS HA . 17588 1 566 . 1 1 54 54 LYS HB2 H 1 1.974 0.030 . 1 . . . A 49 LYS HB2 . 17588 1 567 . 1 1 54 54 LYS HB3 H 1 1.974 0.030 . 1 . . . A 49 LYS HB3 . 17588 1 568 . 1 1 54 54 LYS HG2 H 1 1.398 0.030 . 2 . . . A 49 LYS HG2 . 17588 1 569 . 1 1 54 54 LYS HG3 H 1 1.572 0.030 . 2 . . . A 49 LYS HG3 . 17588 1 570 . 1 1 54 54 LYS HD2 H 1 1.705 0.030 . 1 . . . A 49 LYS HD2 . 17588 1 571 . 1 1 54 54 LYS HD3 H 1 1.705 0.030 . 1 . . . A 49 LYS HD3 . 17588 1 572 . 1 1 54 54 LYS HE2 H 1 2.968 0.030 . 2 . . . A 49 LYS HE2 . 17588 1 573 . 1 1 54 54 LYS HE3 H 1 3.027 0.030 . 2 . . . A 49 LYS HE3 . 17588 1 574 . 1 1 54 54 LYS C C 13 179.987 0.300 . 1 . . . A 49 LYS C . 17588 1 575 . 1 1 54 54 LYS CA C 13 60.237 0.300 . 1 . . . A 49 LYS CA . 17588 1 576 . 1 1 54 54 LYS CB C 13 32.483 0.300 . 1 . . . A 49 LYS CB . 17588 1 577 . 1 1 54 54 LYS CG C 13 25.471 0.300 . 1 . . . A 49 LYS CG . 17588 1 578 . 1 1 54 54 LYS CD C 13 29.477 0.300 . 1 . . . A 49 LYS CD . 17588 1 579 . 1 1 54 54 LYS CE C 13 42.323 0.300 . 1 . . . A 49 LYS CE . 17588 1 580 . 1 1 54 54 LYS N N 15 119.514 0.300 . 1 . . . A 49 LYS N . 17588 1 581 . 1 1 55 55 MET H H 1 7.816 0.030 . 1 . . . A 50 MET H . 17588 1 582 . 1 1 55 55 MET HA H 1 4.251 0.030 . 1 . . . A 50 MET HA . 17588 1 583 . 1 1 55 55 MET HB2 H 1 2.198 0.030 . 2 . . . A 50 MET HB2 . 17588 1 584 . 1 1 55 55 MET HB3 H 1 2.581 0.030 . 2 . . . A 50 MET HB3 . 17588 1 585 . 1 1 55 55 MET HG2 H 1 2.663 0.030 . 2 . . . A 50 MET HG2 . 17588 1 586 . 1 1 55 55 MET HG3 H 1 3.015 0.030 . 2 . . . A 50 MET HG3 . 17588 1 587 . 1 1 55 55 MET HE1 H 1 2.151 0.030 . 1 . . . A 50 MET HE1 . 17588 1 588 . 1 1 55 55 MET HE2 H 1 2.151 0.030 . 1 . . . A 50 MET HE2 . 17588 1 589 . 1 1 55 55 MET HE3 H 1 2.151 0.030 . 1 . . . A 50 MET HE3 . 17588 1 590 . 1 1 55 55 MET C C 13 177.536 0.300 . 1 . . . A 50 MET C . 17588 1 591 . 1 1 55 55 MET CA C 13 58.396 0.300 . 1 . . . A 50 MET CA . 17588 1 592 . 1 1 55 55 MET CB C 13 34.228 0.300 . 1 . . . A 50 MET CB . 17588 1 593 . 1 1 55 55 MET CG C 13 33.411 0.300 . 1 . . . A 50 MET CG . 17588 1 594 . 1 1 55 55 MET CE C 13 18.746 0.300 . 1 . . . A 50 MET CE . 17588 1 595 . 1 1 55 55 MET N N 15 119.732 0.300 . 1 . . . A 50 MET N . 17588 1 596 . 1 1 56 56 ALA H H 1 8.724 0.030 . 1 . . . A 51 ALA H . 17588 1 597 . 1 1 56 56 ALA HA H 1 4.152 0.030 . 1 . . . A 51 ALA HA . 17588 1 598 . 1 1 56 56 ALA HB1 H 1 1.463 0.030 . 1 . . . A 51 ALA HB1 . 17588 1 599 . 1 1 56 56 ALA HB2 H 1 1.463 0.030 . 1 . . . A 51 ALA HB2 . 17588 1 600 . 1 1 56 56 ALA HB3 H 1 1.463 0.030 . 1 . . . A 51 ALA HB3 . 17588 1 601 . 1 1 56 56 ALA C C 13 179.615 0.300 . 1 . . . A 51 ALA C . 17588 1 602 . 1 1 56 56 ALA CA C 13 55.338 0.300 . 1 . . . A 51 ALA CA . 17588 1 603 . 1 1 56 56 ALA CB C 13 19.106 0.300 . 1 . . . A 51 ALA CB . 17588 1 604 . 1 1 56 56 ALA N N 15 122.295 0.300 . 1 . . . A 51 ALA N . 17588 1 605 . 1 1 57 57 LYS H H 1 8.444 0.030 . 1 . . . A 52 LYS H . 17588 1 606 . 1 1 57 57 LYS HA H 1 4.084 0.030 . 1 . . . A 52 LYS HA . 17588 1 607 . 1 1 57 57 LYS HB2 H 1 1.980 0.030 . 2 . . . A 52 LYS HB2 . 17588 1 608 . 1 1 57 57 LYS HB3 H 1 2.074 0.030 . 2 . . . A 52 LYS HB3 . 17588 1 609 . 1 1 57 57 LYS HG2 H 1 1.588 0.030 . 2 . . . A 52 LYS HG2 . 17588 1 610 . 1 1 57 57 LYS HG3 H 1 1.860 0.030 . 2 . . . A 52 LYS HG3 . 17588 1 611 . 1 1 57 57 LYS HD2 H 1 1.762 0.030 . 1 . . . A 52 LYS HD2 . 17588 1 612 . 1 1 57 57 LYS HD3 H 1 1.762 0.030 . 1 . . . A 52 LYS HD3 . 17588 1 613 . 1 1 57 57 LYS HE2 H 1 3.024 0.030 . 1 . . . A 52 LYS HE2 . 17588 1 614 . 1 1 57 57 LYS HE3 H 1 3.024 0.030 . 1 . . . A 52 LYS HE3 . 17588 1 615 . 1 1 57 57 LYS C C 13 179.358 0.300 . 1 . . . A 52 LYS C . 17588 1 616 . 1 1 57 57 LYS CA C 13 59.974 0.300 . 1 . . . A 52 LYS CA . 17588 1 617 . 1 1 57 57 LYS CB C 13 32.501 0.300 . 1 . . . A 52 LYS CB . 17588 1 618 . 1 1 57 57 LYS CG C 13 26.014 0.300 . 1 . . . A 52 LYS CG . 17588 1 619 . 1 1 57 57 LYS CD C 13 29.877 0.300 . 1 . . . A 52 LYS CD . 17588 1 620 . 1 1 57 57 LYS CE C 13 42.123 0.300 . 1 . . . A 52 LYS CE . 17588 1 621 . 1 1 57 57 LYS N N 15 117.704 0.300 . 1 . . . A 52 LYS N . 17588 1 622 . 1 1 58 58 ALA H H 1 7.701 0.030 . 1 . . . A 53 ALA H . 17588 1 623 . 1 1 58 58 ALA HA H 1 4.171 0.030 . 1 . . . A 53 ALA HA . 17588 1 624 . 1 1 58 58 ALA HB1 H 1 1.526 0.030 . 1 . . . A 53 ALA HB1 . 17588 1 625 . 1 1 58 58 ALA HB2 H 1 1.526 0.030 . 1 . . . A 53 ALA HB2 . 17588 1 626 . 1 1 58 58 ALA HB3 H 1 1.526 0.030 . 1 . . . A 53 ALA HB3 . 17588 1 627 . 1 1 58 58 ALA C C 13 180.708 0.300 . 1 . . . A 53 ALA C . 17588 1 628 . 1 1 58 58 ALA CA C 13 55.111 0.300 . 1 . . . A 53 ALA CA . 17588 1 629 . 1 1 58 58 ALA CB C 13 17.548 0.300 . 1 . . . A 53 ALA CB . 17588 1 630 . 1 1 58 58 ALA N N 15 122.736 0.300 . 1 . . . A 53 ALA N . 17588 1 631 . 1 1 59 59 ILE H H 1 7.547 0.030 . 1 . . . A 54 ILE H . 17588 1 632 . 1 1 59 59 ILE HA H 1 3.673 0.030 . 1 . . . A 54 ILE HA . 17588 1 633 . 1 1 59 59 ILE HB H 1 1.887 0.030 . 1 . . . A 54 ILE HB . 17588 1 634 . 1 1 59 59 ILE HG12 H 1 0.279 0.030 . 2 . . . A 54 ILE HG12 . 17588 1 635 . 1 1 59 59 ILE HG13 H 1 1.649 0.030 . 2 . . . A 54 ILE HG13 . 17588 1 636 . 1 1 59 59 ILE HG21 H 1 0.761 0.030 . 1 . . . A 54 ILE HG21 . 17588 1 637 . 1 1 59 59 ILE HG22 H 1 0.761 0.030 . 1 . . . A 54 ILE HG22 . 17588 1 638 . 1 1 59 59 ILE HG23 H 1 0.761 0.030 . 1 . . . A 54 ILE HG23 . 17588 1 639 . 1 1 59 59 ILE HD11 H 1 0.356 0.030 . 1 . . . A 54 ILE HD11 . 17588 1 640 . 1 1 59 59 ILE HD12 H 1 0.356 0.030 . 1 . . . A 54 ILE HD12 . 17588 1 641 . 1 1 59 59 ILE HD13 H 1 0.356 0.030 . 1 . . . A 54 ILE HD13 . 17588 1 642 . 1 1 59 59 ILE C C 13 177.728 0.300 . 1 . . . A 54 ILE C . 17588 1 643 . 1 1 59 59 ILE CA C 13 63.978 0.300 . 1 . . . A 54 ILE CA . 17588 1 644 . 1 1 59 59 ILE CB C 13 37.813 0.300 . 1 . . . A 54 ILE CB . 17588 1 645 . 1 1 59 59 ILE CG1 C 13 28.005 0.300 . 1 . . . A 54 ILE CG1 . 17588 1 646 . 1 1 59 59 ILE CG2 C 13 18.205 0.300 . 1 . . . A 54 ILE CG2 . 17588 1 647 . 1 1 59 59 ILE CD1 C 13 14.807 0.300 . 1 . . . A 54 ILE CD1 . 17588 1 648 . 1 1 59 59 ILE N N 15 117.672 0.300 . 1 . . . A 54 ILE N . 17588 1 649 . 1 1 60 60 MET H H 1 7.718 0.030 . 1 . . . A 55 MET H . 17588 1 650 . 1 1 60 60 MET HA H 1 4.098 0.030 . 1 . . . A 55 MET HA . 17588 1 651 . 1 1 60 60 MET HB2 H 1 2.219 0.030 . 1 . . . A 55 MET HB2 . 17588 1 652 . 1 1 60 60 MET HB3 H 1 2.219 0.030 . 1 . . . A 55 MET HB3 . 17588 1 653 . 1 1 60 60 MET HG2 H 1 2.693 0.030 . 2 . . . A 55 MET HG2 . 17588 1 654 . 1 1 60 60 MET HG3 H 1 2.853 0.030 . 2 . . . A 55 MET HG3 . 17588 1 655 . 1 1 60 60 MET HE1 H 1 2.092 0.030 . 1 . . . A 55 MET HE1 . 17588 1 656 . 1 1 60 60 MET HE2 H 1 2.092 0.030 . 1 . . . A 55 MET HE2 . 17588 1 657 . 1 1 60 60 MET HE3 H 1 2.092 0.030 . 1 . . . A 55 MET HE3 . 17588 1 658 . 1 1 60 60 MET C C 13 178.085 0.300 . 1 . . . A 55 MET C . 17588 1 659 . 1 1 60 60 MET CA C 13 58.060 0.300 . 1 . . . A 55 MET CA . 17588 1 660 . 1 1 60 60 MET CB C 13 32.178 0.300 . 1 . . . A 55 MET CB . 17588 1 661 . 1 1 60 60 MET CG C 13 32.457 0.300 . 1 . . . A 55 MET CG . 17588 1 662 . 1 1 60 60 MET CE C 13 16.858 0.300 . 1 . . . A 55 MET CE . 17588 1 663 . 1 1 60 60 MET N N 15 117.653 0.300 . 1 . . . A 55 MET N . 17588 1 664 . 1 1 61 61 ALA H H 1 7.513 0.030 . 1 . . . A 56 ALA H . 17588 1 665 . 1 1 61 61 ALA HA H 1 4.274 0.030 . 1 . . . A 56 ALA HA . 17588 1 666 . 1 1 61 61 ALA HB1 H 1 1.456 0.030 . 1 . . . A 56 ALA HB1 . 17588 1 667 . 1 1 61 61 ALA HB2 H 1 1.456 0.030 . 1 . . . A 56 ALA HB2 . 17588 1 668 . 1 1 61 61 ALA HB3 H 1 1.456 0.030 . 1 . . . A 56 ALA HB3 . 17588 1 669 . 1 1 61 61 ALA C C 13 177.758 0.300 . 1 . . . A 56 ALA C . 17588 1 670 . 1 1 61 61 ALA CA C 13 53.442 0.300 . 1 . . . A 56 ALA CA . 17588 1 671 . 1 1 61 61 ALA CB C 13 19.068 0.300 . 1 . . . A 56 ALA CB . 17588 1 672 . 1 1 61 61 ALA N N 15 118.874 0.300 . 1 . . . A 56 ALA N . 17588 1 673 . 1 1 62 62 ASP H H 1 7.615 0.030 . 1 . . . A 57 ASP H . 17588 1 674 . 1 1 62 62 ASP HA H 1 4.933 0.030 . 1 . . . A 57 ASP HA . 17588 1 675 . 1 1 62 62 ASP HB2 H 1 2.811 0.030 . 2 . . . A 57 ASP HB2 . 17588 1 676 . 1 1 62 62 ASP HB3 H 1 2.503 0.030 . 2 . . . A 57 ASP HB3 . 17588 1 677 . 1 1 62 62 ASP C C 13 172.960 0.300 . 1 . . . A 57 ASP C . 17588 1 678 . 1 1 62 62 ASP CA C 13 51.124 0.300 . 1 . . . A 57 ASP CA . 17588 1 679 . 1 1 62 62 ASP CB C 13 41.384 0.300 . 1 . . . A 57 ASP CB . 17588 1 680 . 1 1 62 62 ASP N N 15 115.735 0.300 . 1 . . . A 57 ASP N . 17588 1 681 . 1 1 63 63 PRO HA H 1 4.446 0.030 . 1 . . . A 58 PRO HA . 17588 1 682 . 1 1 63 63 PRO HB2 H 1 2.459 0.030 . 2 . . . A 58 PRO HB2 . 17588 1 683 . 1 1 63 63 PRO HB3 H 1 1.971 0.030 . 2 . . . A 58 PRO HB3 . 17588 1 684 . 1 1 63 63 PRO HG2 H 1 2.051 0.030 . 2 . . . A 58 PRO HG2 . 17588 1 685 . 1 1 63 63 PRO HG3 H 1 2.099 0.030 . 2 . . . A 58 PRO HG3 . 17588 1 686 . 1 1 63 63 PRO HD2 H 1 3.911 0.030 . 2 . . . A 58 PRO HD2 . 17588 1 687 . 1 1 63 63 PRO HD3 H 1 3.566 0.030 . 2 . . . A 58 PRO HD3 . 17588 1 688 . 1 1 63 63 PRO C C 13 179.157 0.300 . 1 . . . A 58 PRO C . 17588 1 689 . 1 1 63 63 PRO CA C 13 64.399 0.300 . 1 . . . A 58 PRO CA . 17588 1 690 . 1 1 63 63 PRO CB C 13 32.260 0.300 . 1 . . . A 58 PRO CB . 17588 1 691 . 1 1 63 63 PRO CG C 13 27.051 0.300 . 1 . . . A 58 PRO CG . 17588 1 692 . 1 1 63 63 PRO CD C 13 50.494 0.300 . 1 . . . A 58 PRO CD . 17588 1 693 . 1 1 64 64 ASN H H 1 8.094 0.030 . 1 . . . A 59 ASN H . 17588 1 694 . 1 1 64 64 ASN HA H 1 4.552 0.030 . 1 . . . A 59 ASN HA . 17588 1 695 . 1 1 64 64 ASN HB2 H 1 2.830 0.030 . 2 . . . A 59 ASN HB2 . 17588 1 696 . 1 1 64 64 ASN HB3 H 1 2.977 0.030 . 2 . . . A 59 ASN HB3 . 17588 1 697 . 1 1 64 64 ASN HD21 H 1 7.987 0.030 . 2 . . . A 59 ASN HD21 . 17588 1 698 . 1 1 64 64 ASN HD22 H 1 7.042 0.030 . 2 . . . A 59 ASN HD22 . 17588 1 699 . 1 1 64 64 ASN C C 13 176.867 0.300 . 1 . . . A 59 ASN C . 17588 1 700 . 1 1 64 64 ASN CA C 13 55.321 0.300 . 1 . . . A 59 ASN CA . 17588 1 701 . 1 1 64 64 ASN CB C 13 37.901 0.300 . 1 . . . A 59 ASN CB . 17588 1 702 . 1 1 64 64 ASN N N 15 115.566 0.300 . 1 . . . A 59 ASN N . 17588 1 703 . 1 1 64 64 ASN ND2 N 15 115.034 0.300 . 1 . . . A 59 ASN ND2 . 17588 1 704 . 1 1 65 65 LYS H H 1 8.185 0.030 . 1 . . . A 60 LYS H . 17588 1 705 . 1 1 65 65 LYS HA H 1 4.178 0.030 . 1 . . . A 60 LYS HA . 17588 1 706 . 1 1 65 65 LYS HB2 H 1 1.677 0.030 . 2 . . . A 60 LYS HB2 . 17588 1 707 . 1 1 65 65 LYS HB3 H 1 1.761 0.030 . 2 . . . A 60 LYS HB3 . 17588 1 708 . 1 1 65 65 LYS HG2 H 1 1.329 0.030 . 2 . . . A 60 LYS HG2 . 17588 1 709 . 1 1 65 65 LYS HG3 H 1 1.442 0.030 . 2 . . . A 60 LYS HG3 . 17588 1 710 . 1 1 65 65 LYS HD2 H 1 1.552 0.030 . 1 . . . A 60 LYS HD2 . 17588 1 711 . 1 1 65 65 LYS HD3 H 1 1.552 0.030 . 1 . . . A 60 LYS HD3 . 17588 1 712 . 1 1 65 65 LYS HE2 H 1 2.943 0.030 . 1 . . . A 60 LYS HE2 . 17588 1 713 . 1 1 65 65 LYS HE3 H 1 2.943 0.030 . 1 . . . A 60 LYS HE3 . 17588 1 714 . 1 1 65 65 LYS C C 13 175.844 0.300 . 1 . . . A 60 LYS C . 17588 1 715 . 1 1 65 65 LYS CA C 13 56.234 0.300 . 1 . . . A 60 LYS CA . 17588 1 716 . 1 1 65 65 LYS CB C 13 32.877 0.300 . 1 . . . A 60 LYS CB . 17588 1 717 . 1 1 65 65 LYS CG C 13 25.471 0.300 . 1 . . . A 60 LYS CG . 17588 1 718 . 1 1 65 65 LYS CD C 13 28.644 0.300 . 1 . . . A 60 LYS CD . 17588 1 719 . 1 1 65 65 LYS CE C 13 42.206 0.300 . 1 . . . A 60 LYS CE . 17588 1 720 . 1 1 65 65 LYS N N 15 118.691 0.300 . 1 . . . A 60 LYS N . 17588 1 721 . 1 1 66 66 ALA H H 1 7.233 0.030 . 1 . . . A 61 ALA H . 17588 1 722 . 1 1 66 66 ALA HA H 1 3.042 0.030 . 1 . . . A 61 ALA HA . 17588 1 723 . 1 1 66 66 ALA HB1 H 1 1.187 0.030 . 1 . . . A 61 ALA HB1 . 17588 1 724 . 1 1 66 66 ALA HB2 H 1 1.187 0.030 . 1 . . . A 61 ALA HB2 . 17588 1 725 . 1 1 66 66 ALA HB3 H 1 1.187 0.030 . 1 . . . A 61 ALA HB3 . 17588 1 726 . 1 1 66 66 ALA C C 13 176.697 0.300 . 1 . . . A 61 ALA C . 17588 1 727 . 1 1 66 66 ALA CA C 13 55.812 0.300 . 1 . . . A 61 ALA CA . 17588 1 728 . 1 1 66 66 ALA CB C 13 18.234 0.300 . 1 . . . A 61 ALA CB . 17588 1 729 . 1 1 66 66 ALA N N 15 120.147 0.300 . 1 . . . A 61 ALA N . 17588 1 730 . 1 1 67 67 ASP H H 1 8.114 0.030 . 1 . . . A 62 ASP H . 17588 1 731 . 1 1 67 67 ASP HA H 1 4.173 0.030 . 1 . . . A 62 ASP HA . 17588 1 732 . 1 1 67 67 ASP HB2 H 1 2.647 0.030 . 2 . . . A 62 ASP HB2 . 17588 1 733 . 1 1 67 67 ASP HB3 H 1 2.615 0.030 . 2 . . . A 62 ASP HB3 . 17588 1 734 . 1 1 67 67 ASP C C 13 178.071 0.300 . 1 . . . A 62 ASP C . 17588 1 735 . 1 1 67 67 ASP CA C 13 58.368 0.300 . 1 . . . A 62 ASP CA . 17588 1 736 . 1 1 67 67 ASP CB C 13 40.644 0.300 . 1 . . . A 62 ASP CB . 17588 1 737 . 1 1 67 67 ASP N N 15 114.524 0.300 . 1 . . . A 62 ASP N . 17588 1 738 . 1 1 68 68 GLU H H 1 7.846 0.030 . 1 . . . A 63 GLU H . 17588 1 739 . 1 1 68 68 GLU HA H 1 3.893 0.030 . 1 . . . A 63 GLU HA . 17588 1 740 . 1 1 68 68 GLU HB2 H 1 1.920 0.030 . 2 . . . A 63 GLU HB2 . 17588 1 741 . 1 1 68 68 GLU HB3 H 1 2.018 0.030 . 2 . . . A 63 GLU HB3 . 17588 1 742 . 1 1 68 68 GLU HG2 H 1 2.120 0.030 . 2 . . . A 63 GLU HG2 . 17588 1 743 . 1 1 68 68 GLU HG3 H 1 2.189 0.030 . 2 . . . A 63 GLU HG3 . 17588 1 744 . 1 1 68 68 GLU C C 13 178.885 0.300 . 1 . . . A 63 GLU C . 17588 1 745 . 1 1 68 68 GLU CA C 13 58.745 0.300 . 1 . . . A 63 GLU CA . 17588 1 746 . 1 1 68 68 GLU CB C 13 29.661 0.300 . 1 . . . A 63 GLU CB . 17588 1 747 . 1 1 68 68 GLU CG C 13 36.251 0.300 . 1 . . . A 63 GLU CG . 17588 1 748 . 1 1 68 68 GLU N N 15 117.486 0.300 . 1 . . . A 63 GLU N . 17588 1 749 . 1 1 69 69 VAL H H 1 7.325 0.030 . 1 . . . A 64 VAL H . 17588 1 750 . 1 1 69 69 VAL HA H 1 3.046 0.030 . 1 . . . A 64 VAL HA . 17588 1 751 . 1 1 69 69 VAL HB H 1 1.188 0.030 . 1 . . . A 64 VAL HB . 17588 1 752 . 1 1 69 69 VAL HG11 H 1 -0.562 0.030 . 2 . . . A 64 VAL HG11 . 17588 1 753 . 1 1 69 69 VAL HG12 H 1 -0.562 0.030 . 2 . . . A 64 VAL HG12 . 17588 1 754 . 1 1 69 69 VAL HG13 H 1 -0.562 0.030 . 2 . . . A 64 VAL HG13 . 17588 1 755 . 1 1 69 69 VAL HG21 H 1 0.664 0.030 . 2 . . . A 64 VAL HG21 . 17588 1 756 . 1 1 69 69 VAL HG22 H 1 0.664 0.030 . 2 . . . A 64 VAL HG22 . 17588 1 757 . 1 1 69 69 VAL HG23 H 1 0.664 0.030 . 2 . . . A 64 VAL HG23 . 17588 1 758 . 1 1 69 69 VAL C C 13 176.618 0.300 . 1 . . . A 64 VAL C . 17588 1 759 . 1 1 69 69 VAL CA C 13 66.453 0.300 . 1 . . . A 64 VAL CA . 17588 1 760 . 1 1 69 69 VAL CB C 13 31.039 0.300 . 1 . . . A 64 VAL CB . 17588 1 761 . 1 1 69 69 VAL CG1 C 13 21.340 0.300 . 2 . . . A 64 VAL CG1 . 17588 1 762 . 1 1 69 69 VAL CG2 C 13 22.752 0.300 . 2 . . . A 64 VAL CG2 . 17588 1 763 . 1 1 69 69 VAL N N 15 120.957 0.300 . 1 . . . A 64 VAL N . 17588 1 764 . 1 1 70 70 TYR H H 1 8.483 0.030 . 1 . . . A 65 TYR H . 17588 1 765 . 1 1 70 70 TYR HA H 1 4.175 0.030 . 1 . . . A 65 TYR HA . 17588 1 766 . 1 1 70 70 TYR HB2 H 1 2.444 0.030 . 2 . . . A 65 TYR HB2 . 17588 1 767 . 1 1 70 70 TYR HB3 H 1 2.360 0.030 . 2 . . . A 65 TYR HB3 . 17588 1 768 . 1 1 70 70 TYR HD1 H 1 6.814 0.030 . 1 . . . A 65 TYR HD1 . 17588 1 769 . 1 1 70 70 TYR HD2 H 1 6.814 0.030 . 1 . . . A 65 TYR HD2 . 17588 1 770 . 1 1 70 70 TYR HE1 H 1 6.748 0.030 . 1 . . . A 65 TYR HE1 . 17588 1 771 . 1 1 70 70 TYR HE2 H 1 6.748 0.030 . 1 . . . A 65 TYR HE2 . 17588 1 772 . 1 1 70 70 TYR C C 13 178.493 0.300 . 1 . . . A 65 TYR C . 17588 1 773 . 1 1 70 70 TYR CA C 13 57.481 0.300 . 1 . . . A 65 TYR CA . 17588 1 774 . 1 1 70 70 TYR CB C 13 33.863 0.300 . 1 . . . A 65 TYR CB . 17588 1 775 . 1 1 70 70 TYR CD1 C 13 131.415 0.300 . 1 . . . A 65 TYR CD1 . 17588 1 776 . 1 1 70 70 TYR CD2 C 13 131.415 0.300 . 1 . . . A 65 TYR CD2 . 17588 1 777 . 1 1 70 70 TYR CE1 C 13 119.339 0.300 . 1 . . . A 65 TYR CE1 . 17588 1 778 . 1 1 70 70 TYR CE2 C 13 119.339 0.300 . 1 . . . A 65 TYR CE2 . 17588 1 779 . 1 1 70 70 TYR N N 15 117.638 0.300 . 1 . . . A 65 TYR N . 17588 1 780 . 1 1 71 71 LYS H H 1 7.754 0.030 . 1 . . . A 66 LYS H . 17588 1 781 . 1 1 71 71 LYS HA H 1 4.214 0.030 . 1 . . . A 66 LYS HA . 17588 1 782 . 1 1 71 71 LYS HB2 H 1 1.918 0.030 . 1 . . . A 66 LYS HB2 . 17588 1 783 . 1 1 71 71 LYS HB3 H 1 1.918 0.030 . 1 . . . A 66 LYS HB3 . 17588 1 784 . 1 1 71 71 LYS HG2 H 1 1.519 0.030 . 2 . . . A 66 LYS HG2 . 17588 1 785 . 1 1 71 71 LYS HG3 H 1 1.699 0.030 . 2 . . . A 66 LYS HG3 . 17588 1 786 . 1 1 71 71 LYS HD2 H 1 1.709 0.030 . 1 . . . A 66 LYS HD2 . 17588 1 787 . 1 1 71 71 LYS HD3 H 1 1.709 0.030 . 1 . . . A 66 LYS HD3 . 17588 1 788 . 1 1 71 71 LYS HE2 H 1 3.033 0.030 . 1 . . . A 66 LYS HE2 . 17588 1 789 . 1 1 71 71 LYS HE3 H 1 3.033 0.030 . 1 . . . A 66 LYS HE3 . 17588 1 790 . 1 1 71 71 LYS C C 13 178.790 0.300 . 1 . . . A 66 LYS C . 17588 1 791 . 1 1 71 71 LYS CA C 13 59.793 0.300 . 1 . . . A 66 LYS CA . 17588 1 792 . 1 1 71 71 LYS CB C 13 32.507 0.300 . 1 . . . A 66 LYS CB . 17588 1 793 . 1 1 71 71 LYS CG C 13 25.931 0.300 . 1 . . . A 66 LYS CG . 17588 1 794 . 1 1 71 71 LYS CD C 13 29.451 0.300 . 1 . . . A 66 LYS CD . 17588 1 795 . 1 1 71 71 LYS CE C 13 42.206 0.300 . 1 . . . A 66 LYS CE . 17588 1 796 . 1 1 71 71 LYS N N 15 117.283 0.300 . 1 . . . A 66 LYS N . 17588 1 797 . 1 1 72 72 LYS H H 1 7.386 0.030 . 1 . . . A 67 LYS H . 17588 1 798 . 1 1 72 72 LYS HA H 1 4.141 0.030 . 1 . . . A 67 LYS HA . 17588 1 799 . 1 1 72 72 LYS HB2 H 1 1.887 0.030 . 2 . . . A 67 LYS HB2 . 17588 1 800 . 1 1 72 72 LYS HB3 H 1 1.981 0.030 . 2 . . . A 67 LYS HB3 . 17588 1 801 . 1 1 72 72 LYS HG2 H 1 1.465 0.030 . 2 . . . A 67 LYS HG2 . 17588 1 802 . 1 1 72 72 LYS HG3 H 1 1.671 0.030 . 2 . . . A 67 LYS HG3 . 17588 1 803 . 1 1 72 72 LYS HD2 H 1 1.577 0.030 . 1 . . . A 67 LYS HD2 . 17588 1 804 . 1 1 72 72 LYS HD3 H 1 1.577 0.030 . 1 . . . A 67 LYS HD3 . 17588 1 805 . 1 1 72 72 LYS HE2 H 1 2.947 0.030 . 1 . . . A 67 LYS HE2 . 17588 1 806 . 1 1 72 72 LYS HE3 H 1 2.947 0.030 . 1 . . . A 67 LYS HE3 . 17588 1 807 . 1 1 72 72 LYS C C 13 180.399 0.300 . 1 . . . A 67 LYS C . 17588 1 808 . 1 1 72 72 LYS CA C 13 59.728 0.300 . 1 . . . A 67 LYS CA . 17588 1 809 . 1 1 72 72 LYS CB C 13 32.014 0.300 . 1 . . . A 67 LYS CB . 17588 1 810 . 1 1 72 72 LYS CG C 13 25.767 0.300 . 1 . . . A 67 LYS CG . 17588 1 811 . 1 1 72 72 LYS CD C 13 29.416 0.300 . 1 . . . A 67 LYS CD . 17588 1 812 . 1 1 72 72 LYS CE C 13 42.241 0.300 . 1 . . . A 67 LYS CE . 17588 1 813 . 1 1 72 72 LYS N N 15 120.053 0.300 . 1 . . . A 67 LYS N . 17588 1 814 . 1 1 73 73 TRP H H 1 8.659 0.030 . 1 . . . A 68 TRP H . 17588 1 815 . 1 1 73 73 TRP HA H 1 4.513 0.030 . 1 . . . A 68 TRP HA . 17588 1 816 . 1 1 73 73 TRP HB2 H 1 3.106 0.030 . 2 . . . A 68 TRP HB2 . 17588 1 817 . 1 1 73 73 TRP HB3 H 1 3.638 0.030 . 2 . . . A 68 TRP HB3 . 17588 1 818 . 1 1 73 73 TRP HD1 H 1 6.985 0.030 . 1 . . . A 68 TRP HD1 . 17588 1 819 . 1 1 73 73 TRP HE1 H 1 9.618 0.030 . 1 . . . A 68 TRP HE1 . 17588 1 820 . 1 1 73 73 TRP HE3 H 1 6.470 0.030 . 1 . . . A 68 TRP HE3 . 17588 1 821 . 1 1 73 73 TRP HZ2 H 1 7.373 0.030 . 1 . . . A 68 TRP HZ2 . 17588 1 822 . 1 1 73 73 TRP HZ3 H 1 6.707 0.030 . 1 . . . A 68 TRP HZ3 . 17588 1 823 . 1 1 73 73 TRP HH2 H 1 6.685 0.030 . 1 . . . A 68 TRP HH2 . 17588 1 824 . 1 1 73 73 TRP C C 13 177.981 0.300 . 1 . . . A 68 TRP C . 17588 1 825 . 1 1 73 73 TRP CA C 13 57.915 0.300 . 1 . . . A 68 TRP CA . 17588 1 826 . 1 1 73 73 TRP CB C 13 29.562 0.300 . 1 . . . A 68 TRP CB . 17588 1 827 . 1 1 73 73 TRP CD1 C 13 122.692 0.300 . 1 . . . A 68 TRP CD1 . 17588 1 828 . 1 1 73 73 TRP CE3 C 13 121.120 0.300 . 1 . . . A 68 TRP CE3 . 17588 1 829 . 1 1 73 73 TRP CZ2 C 13 114.562 0.300 . 1 . . . A 68 TRP CZ2 . 17588 1 830 . 1 1 73 73 TRP CZ3 C 13 121.083 0.300 . 1 . . . A 68 TRP CZ3 . 17588 1 831 . 1 1 73 73 TRP CH2 C 13 123.182 0.300 . 1 . . . A 68 TRP CH2 . 17588 1 832 . 1 1 73 73 TRP N N 15 121.910 0.300 . 1 . . . A 68 TRP N . 17588 1 833 . 1 1 73 73 TRP NE1 N 15 125.142 0.300 . 1 . . . A 68 TRP NE1 . 17588 1 834 . 1 1 74 74 ALA H H 1 9.137 0.030 . 1 . . . A 69 ALA H . 17588 1 835 . 1 1 74 74 ALA HA H 1 4.492 0.030 . 1 . . . A 69 ALA HA . 17588 1 836 . 1 1 74 74 ALA HB1 H 1 1.805 0.030 . 1 . . . A 69 ALA HB1 . 17588 1 837 . 1 1 74 74 ALA HB2 H 1 1.805 0.030 . 1 . . . A 69 ALA HB2 . 17588 1 838 . 1 1 74 74 ALA HB3 H 1 1.805 0.030 . 1 . . . A 69 ALA HB3 . 17588 1 839 . 1 1 74 74 ALA C C 13 182.881 0.300 . 1 . . . A 69 ALA C . 17588 1 840 . 1 1 74 74 ALA CA C 13 55.349 0.300 . 1 . . . A 69 ALA CA . 17588 1 841 . 1 1 74 74 ALA CB C 13 18.392 0.300 . 1 . . . A 69 ALA CB . 17588 1 842 . 1 1 74 74 ALA N N 15 123.471 0.300 . 1 . . . A 69 ALA N . 17588 1 843 . 1 1 75 75 ASP H H 1 8.804 0.030 . 1 . . . A 70 ASP H . 17588 1 844 . 1 1 75 75 ASP HA H 1 4.464 0.030 . 1 . . . A 70 ASP HA . 17588 1 845 . 1 1 75 75 ASP HB2 H 1 2.932 0.030 . 2 . . . A 70 ASP HB2 . 17588 1 846 . 1 1 75 75 ASP HB3 H 1 2.694 0.030 . 2 . . . A 70 ASP HB3 . 17588 1 847 . 1 1 75 75 ASP C C 13 178.714 0.300 . 1 . . . A 70 ASP C . 17588 1 848 . 1 1 75 75 ASP CA C 13 57.094 0.300 . 1 . . . A 70 ASP CA . 17588 1 849 . 1 1 75 75 ASP CB C 13 40.585 0.300 . 1 . . . A 70 ASP CB . 17588 1 850 . 1 1 75 75 ASP N N 15 121.896 0.300 . 1 . . . A 70 ASP N . 17588 1 851 . 1 1 76 76 LYS H H 1 7.630 0.030 . 1 . . . A 71 LYS H . 17588 1 852 . 1 1 76 76 LYS HA H 1 4.029 0.030 . 1 . . . A 71 LYS HA . 17588 1 853 . 1 1 76 76 LYS HB2 H 1 1.409 0.030 . 2 . . . A 71 LYS HB2 . 17588 1 854 . 1 1 76 76 LYS HB3 H 1 1.208 0.030 . 2 . . . A 71 LYS HB3 . 17588 1 855 . 1 1 76 76 LYS HG2 H 1 1.315 0.030 . 1 . . . A 71 LYS HG2 . 17588 1 856 . 1 1 76 76 LYS HG3 H 1 1.315 0.030 . 1 . . . A 71 LYS HG3 . 17588 1 857 . 1 1 76 76 LYS HD2 H 1 1.554 0.030 . 1 . . . A 71 LYS HD2 . 17588 1 858 . 1 1 76 76 LYS HD3 H 1 1.554 0.030 . 1 . . . A 71 LYS HD3 . 17588 1 859 . 1 1 76 76 LYS HE2 H 1 2.969 0.030 . 1 . . . A 71 LYS HE2 . 17588 1 860 . 1 1 76 76 LYS HE3 H 1 2.969 0.030 . 1 . . . A 71 LYS HE3 . 17588 1 861 . 1 1 76 76 LYS C C 13 176.868 0.300 . 1 . . . A 71 LYS C . 17588 1 862 . 1 1 76 76 LYS CA C 13 56.497 0.300 . 1 . . . A 71 LYS CA . 17588 1 863 . 1 1 76 76 LYS CB C 13 31.685 0.300 . 1 . . . A 71 LYS CB . 17588 1 864 . 1 1 76 76 LYS CG C 13 24.945 0.300 . 1 . . . A 71 LYS CG . 17588 1 865 . 1 1 76 76 LYS CD C 13 28.726 0.300 . 1 . . . A 71 LYS CD . 17588 1 866 . 1 1 76 76 LYS CE C 13 42.041 0.300 . 1 . . . A 71 LYS CE . 17588 1 867 . 1 1 76 76 LYS N N 15 118.966 0.300 . 1 . . . A 71 LYS N . 17588 1 868 . 1 1 77 77 GLY H H 1 7.901 0.030 . 1 . . . A 72 GLY H . 17588 1 869 . 1 1 77 77 GLY HA2 H 1 4.071 0.030 . 2 . . . A 72 GLY HA2 . 17588 1 870 . 1 1 77 77 GLY HA3 H 1 3.757 0.030 . 2 . . . A 72 GLY HA3 . 17588 1 871 . 1 1 77 77 GLY C C 13 175.407 0.300 . 1 . . . A 72 GLY C . 17588 1 872 . 1 1 77 77 GLY CA C 13 45.189 0.300 . 1 . . . A 72 GLY CA . 17588 1 873 . 1 1 77 77 GLY N N 15 107.310 0.300 . 1 . . . A 72 GLY N . 17588 1 874 . 1 1 78 78 TYR H H 1 7.506 0.030 . 1 . . . A 73 TYR H . 17588 1 875 . 1 1 78 78 TYR HA H 1 5.292 0.030 . 1 . . . A 73 TYR HA . 17588 1 876 . 1 1 78 78 TYR HB2 H 1 2.805 0.030 . 2 . . . A 73 TYR HB2 . 17588 1 877 . 1 1 78 78 TYR HB3 H 1 2.729 0.030 . 2 . . . A 73 TYR HB3 . 17588 1 878 . 1 1 78 78 TYR HD1 H 1 6.813 0.030 . 1 . . . A 73 TYR HD1 . 17588 1 879 . 1 1 78 78 TYR HD2 H 1 6.813 0.030 . 1 . . . A 73 TYR HD2 . 17588 1 880 . 1 1 78 78 TYR HE1 H 1 6.648 0.030 . 1 . . . A 73 TYR HE1 . 17588 1 881 . 1 1 78 78 TYR HE2 H 1 6.648 0.030 . 1 . . . A 73 TYR HE2 . 17588 1 882 . 1 1 78 78 TYR C C 13 178.422 0.300 . 1 . . . A 73 TYR C . 17588 1 883 . 1 1 78 78 TYR CA C 13 55.545 0.300 . 1 . . . A 73 TYR CA . 17588 1 884 . 1 1 78 78 TYR CB C 13 36.781 0.300 . 1 . . . A 73 TYR CB . 17588 1 885 . 1 1 78 78 TYR CD1 C 13 131.673 0.300 . 1 . . . A 73 TYR CD1 . 17588 1 886 . 1 1 78 78 TYR CD2 C 13 131.673 0.300 . 1 . . . A 73 TYR CD2 . 17588 1 887 . 1 1 78 78 TYR CE1 C 13 118.064 0.300 . 1 . . . A 73 TYR CE1 . 17588 1 888 . 1 1 78 78 TYR CE2 C 13 118.064 0.300 . 1 . . . A 73 TYR CE2 . 17588 1 889 . 1 1 78 78 TYR N N 15 117.917 0.300 . 1 . . . A 73 TYR N . 17588 1 890 . 1 1 79 79 THR H H 1 8.957 0.030 . 1 . . . A 74 THR H . 17588 1 891 . 1 1 79 79 THR HA H 1 4.518 0.030 . 1 . . . A 74 THR HA . 17588 1 892 . 1 1 79 79 THR HB H 1 4.902 0.030 . 1 . . . A 74 THR HB . 17588 1 893 . 1 1 79 79 THR HG21 H 1 1.466 0.030 . 1 . . . A 74 THR HG21 . 17588 1 894 . 1 1 79 79 THR HG22 H 1 1.466 0.030 . 1 . . . A 74 THR HG22 . 17588 1 895 . 1 1 79 79 THR HG23 H 1 1.466 0.030 . 1 . . . A 74 THR HG23 . 17588 1 896 . 1 1 79 79 THR C C 13 175.648 0.300 . 1 . . . A 74 THR C . 17588 1 897 . 1 1 79 79 THR CA C 13 60.027 0.300 . 1 . . . A 74 THR CA . 17588 1 898 . 1 1 79 79 THR CB C 13 71.622 0.300 . 1 . . . A 74 THR CB . 17588 1 899 . 1 1 79 79 THR CG2 C 13 21.904 0.300 . 1 . . . A 74 THR CG2 . 17588 1 900 . 1 1 79 79 THR N N 15 119.420 0.300 . 1 . . . A 74 THR N . 17588 1 901 . 1 1 80 80 LEU H H 1 9.005 0.030 . 1 . . . A 75 LEU H . 17588 1 902 . 1 1 80 80 LEU HA H 1 4.180 0.030 . 1 . . . A 75 LEU HA . 17588 1 903 . 1 1 80 80 LEU HB2 H 1 1.883 0.030 . 1 . . . A 75 LEU HB2 . 17588 1 904 . 1 1 80 80 LEU HB3 H 1 1.883 0.030 . 1 . . . A 75 LEU HB3 . 17588 1 905 . 1 1 80 80 LEU HG H 1 1.784 0.030 . 1 . . . A 75 LEU HG . 17588 1 906 . 1 1 80 80 LEU HD11 H 1 0.924 0.030 . 2 . . . A 75 LEU HD11 . 17588 1 907 . 1 1 80 80 LEU HD12 H 1 0.924 0.030 . 2 . . . A 75 LEU HD12 . 17588 1 908 . 1 1 80 80 LEU HD13 H 1 0.924 0.030 . 2 . . . A 75 LEU HD13 . 17588 1 909 . 1 1 80 80 LEU HD21 H 1 0.629 0.030 . 2 . . . A 75 LEU HD21 . 17588 1 910 . 1 1 80 80 LEU HD22 H 1 0.629 0.030 . 2 . . . A 75 LEU HD22 . 17588 1 911 . 1 1 80 80 LEU HD23 H 1 0.629 0.030 . 2 . . . A 75 LEU HD23 . 17588 1 912 . 1 1 80 80 LEU C C 13 180.085 0.300 . 1 . . . A 75 LEU C . 17588 1 913 . 1 1 80 80 LEU CA C 13 58.913 0.300 . 1 . . . A 75 LEU CA . 17588 1 914 . 1 1 80 80 LEU CB C 13 39.653 0.300 . 1 . . . A 75 LEU CB . 17588 1 915 . 1 1 80 80 LEU CG C 13 26.744 0.300 . 1 . . . A 75 LEU CG . 17588 1 916 . 1 1 80 80 LEU CD1 C 13 25.875 0.300 . 2 . . . A 75 LEU CD1 . 17588 1 917 . 1 1 80 80 LEU CD2 C 13 23.771 0.300 . 2 . . . A 75 LEU CD2 . 17588 1 918 . 1 1 80 80 LEU N N 15 119.655 0.300 . 1 . . . A 75 LEU N . 17588 1 919 . 1 1 81 81 THR H H 1 8.135 0.030 . 1 . . . A 76 THR H . 17588 1 920 . 1 1 81 81 THR HA H 1 3.939 0.030 . 1 . . . A 76 THR HA . 17588 1 921 . 1 1 81 81 THR HB H 1 3.997 0.030 . 1 . . . A 76 THR HB . 17588 1 922 . 1 1 81 81 THR HG21 H 1 1.163 0.030 . 1 . . . A 76 THR HG21 . 17588 1 923 . 1 1 81 81 THR HG22 H 1 1.163 0.030 . 1 . . . A 76 THR HG22 . 17588 1 924 . 1 1 81 81 THR HG23 H 1 1.163 0.030 . 1 . . . A 76 THR HG23 . 17588 1 925 . 1 1 81 81 THR C C 13 177.000 0.300 . 1 . . . A 76 THR C . 17588 1 926 . 1 1 81 81 THR CA C 13 66.349 0.300 . 1 . . . A 76 THR CA . 17588 1 927 . 1 1 81 81 THR CB C 13 68.591 0.300 . 1 . . . A 76 THR CB . 17588 1 928 . 1 1 81 81 THR CG2 C 13 21.740 0.300 . 1 . . . A 76 THR CG2 . 17588 1 929 . 1 1 81 81 THR N N 15 115.259 0.300 . 1 . . . A 76 THR N . 17588 1 930 . 1 1 82 82 GLN H H 1 7.641 0.030 . 1 . . . A 77 GLN H . 17588 1 931 . 1 1 82 82 GLN HA H 1 3.653 0.030 . 1 . . . A 77 GLN HA . 17588 1 932 . 1 1 82 82 GLN HB2 H 1 1.331 0.030 . 2 . . . A 77 GLN HB2 . 17588 1 933 . 1 1 82 82 GLN HB3 H 1 2.102 0.030 . 2 . . . A 77 GLN HB3 . 17588 1 934 . 1 1 82 82 GLN HG2 H 1 2.010 0.030 . 2 . . . A 77 GLN HG2 . 17588 1 935 . 1 1 82 82 GLN HG3 H 1 2.185 0.030 . 2 . . . A 77 GLN HG3 . 17588 1 936 . 1 1 82 82 GLN HE21 H 1 6.978 0.030 . 2 . . . A 77 GLN HE21 . 17588 1 937 . 1 1 82 82 GLN HE22 H 1 7.390 0.030 . 2 . . . A 77 GLN HE22 . 17588 1 938 . 1 1 82 82 GLN C C 13 178.354 0.300 . 1 . . . A 77 GLN C . 17588 1 939 . 1 1 82 82 GLN CA C 13 58.640 0.300 . 1 . . . A 77 GLN CA . 17588 1 940 . 1 1 82 82 GLN CB C 13 28.914 0.300 . 1 . . . A 77 GLN CB . 17588 1 941 . 1 1 82 82 GLN CG C 13 34.808 0.300 . 1 . . . A 77 GLN CG . 17588 1 942 . 1 1 82 82 GLN N N 15 121.304 0.300 . 1 . . . A 77 GLN N . 17588 1 943 . 1 1 82 82 GLN NE2 N 15 111.161 0.300 . 1 . . . A 77 GLN NE2 . 17588 1 944 . 1 1 83 83 MET H H 1 8.665 0.030 . 1 . . . A 78 MET H . 17588 1 945 . 1 1 83 83 MET HA H 1 4.425 0.030 . 1 . . . A 78 MET HA . 17588 1 946 . 1 1 83 83 MET HB2 H 1 2.060 0.030 . 1 . . . A 78 MET HB2 . 17588 1 947 . 1 1 83 83 MET HB3 H 1 2.060 0.030 . 1 . . . A 78 MET HB3 . 17588 1 948 . 1 1 83 83 MET HG2 H 1 2.298 0.030 . 2 . . . A 78 MET HG2 . 17588 1 949 . 1 1 83 83 MET HG3 H 1 2.467 0.030 . 2 . . . A 78 MET HG3 . 17588 1 950 . 1 1 83 83 MET HE1 H 1 0.376 0.030 . 1 . . . A 78 MET HE1 . 17588 1 951 . 1 1 83 83 MET HE2 H 1 0.376 0.030 . 1 . . . A 78 MET HE2 . 17588 1 952 . 1 1 83 83 MET HE3 H 1 0.376 0.030 . 1 . . . A 78 MET HE3 . 17588 1 953 . 1 1 83 83 MET C C 13 177.906 0.300 . 1 . . . A 78 MET C . 17588 1 954 . 1 1 83 83 MET CA C 13 55.462 0.300 . 1 . . . A 78 MET CA . 17588 1 955 . 1 1 83 83 MET CB C 13 29.014 0.300 . 1 . . . A 78 MET CB . 17588 1 956 . 1 1 83 83 MET CG C 13 31.027 0.300 . 1 . . . A 78 MET CG . 17588 1 957 . 1 1 83 83 MET CE C 13 14.426 0.300 . 1 . . . A 78 MET CE . 17588 1 958 . 1 1 83 83 MET N N 15 117.464 0.300 . 1 . . . A 78 MET N . 17588 1 959 . 1 1 84 84 SER H H 1 8.607 0.030 . 1 . . . A 79 SER H . 17588 1 960 . 1 1 84 84 SER HA H 1 3.689 0.030 . 1 . . . A 79 SER HA . 17588 1 961 . 1 1 84 84 SER HB2 H 1 3.781 0.030 . 1 . . . A 79 SER HB2 . 17588 1 962 . 1 1 84 84 SER HB3 H 1 3.781 0.030 . 1 . . . A 79 SER HB3 . 17588 1 963 . 1 1 84 84 SER C C 13 176.666 0.300 . 1 . . . A 79 SER C . 17588 1 964 . 1 1 84 84 SER CA C 13 61.347 0.300 . 1 . . . A 79 SER CA . 17588 1 965 . 1 1 84 84 SER CB C 13 62.356 0.300 . 1 . . . A 79 SER CB . 17588 1 966 . 1 1 84 84 SER N N 15 114.879 0.300 . 1 . . . A 79 SER N . 17588 1 967 . 1 1 85 85 ASN H H 1 7.204 0.030 . 1 . . . A 80 ASN H . 17588 1 968 . 1 1 85 85 ASN HA H 1 4.415 0.030 . 1 . . . A 80 ASN HA . 17588 1 969 . 1 1 85 85 ASN HB2 H 1 2.647 0.030 . 2 . . . A 80 ASN HB2 . 17588 1 970 . 1 1 85 85 ASN HB3 H 1 2.587 0.030 . 2 . . . A 80 ASN HB3 . 17588 1 971 . 1 1 85 85 ASN HD21 H 1 6.943 0.030 . 2 . . . A 80 ASN HD21 . 17588 1 972 . 1 1 85 85 ASN HD22 H 1 7.466 0.030 . 2 . . . A 80 ASN HD22 . 17588 1 973 . 1 1 85 85 ASN C C 13 177.997 0.300 . 1 . . . A 80 ASN C . 17588 1 974 . 1 1 85 85 ASN CA C 13 55.953 0.300 . 1 . . . A 80 ASN CA . 17588 1 975 . 1 1 85 85 ASN CB C 13 38.260 0.300 . 1 . . . A 80 ASN CB . 17588 1 976 . 1 1 85 85 ASN N N 15 117.904 0.300 . 1 . . . A 80 ASN N . 17588 1 977 . 1 1 85 85 ASN ND2 N 15 113.648 0.300 . 1 . . . A 80 ASN ND2 . 17588 1 978 . 1 1 86 86 PHE H H 1 8.367 0.030 . 1 . . . A 81 PHE H . 17588 1 979 . 1 1 86 86 PHE HA H 1 4.428 0.030 . 1 . . . A 81 PHE HA . 17588 1 980 . 1 1 86 86 PHE HB2 H 1 3.010 0.030 . 2 . . . A 81 PHE HB2 . 17588 1 981 . 1 1 86 86 PHE HB3 H 1 2.750 0.030 . 2 . . . A 81 PHE HB3 . 17588 1 982 . 1 1 86 86 PHE HD1 H 1 6.739 0.030 . 1 . . . A 81 PHE HD1 . 17588 1 983 . 1 1 86 86 PHE HD2 H 1 6.739 0.030 . 1 . . . A 81 PHE HD2 . 17588 1 984 . 1 1 86 86 PHE HE1 H 1 6.397 0.030 . 1 . . . A 81 PHE HE1 . 17588 1 985 . 1 1 86 86 PHE HE2 H 1 6.397 0.030 . 1 . . . A 81 PHE HE2 . 17588 1 986 . 1 1 86 86 PHE HZ H 1 6.860 0.030 . 1 . . . A 81 PHE HZ . 17588 1 987 . 1 1 86 86 PHE C C 13 177.478 0.300 . 1 . . . A 81 PHE C . 17588 1 988 . 1 1 86 86 PHE CA C 13 58.394 0.300 . 1 . . . A 81 PHE CA . 17588 1 989 . 1 1 86 86 PHE CB C 13 38.835 0.300 . 1 . . . A 81 PHE CB . 17588 1 990 . 1 1 86 86 PHE CD1 C 13 129.907 0.300 . 1 . . . A 81 PHE CD1 . 17588 1 991 . 1 1 86 86 PHE CD2 C 13 129.907 0.300 . 1 . . . A 81 PHE CD2 . 17588 1 992 . 1 1 86 86 PHE CE1 C 13 130.791 0.300 . 1 . . . A 81 PHE CE1 . 17588 1 993 . 1 1 86 86 PHE CE2 C 13 130.791 0.300 . 1 . . . A 81 PHE CE2 . 17588 1 994 . 1 1 86 86 PHE CZ C 13 129.677 0.300 . 1 . . . A 81 PHE CZ . 17588 1 995 . 1 1 86 86 PHE N N 15 118.316 0.300 . 1 . . . A 81 PHE N . 17588 1 996 . 1 1 87 87 LEU H H 1 7.778 0.030 . 1 . . . A 82 LEU H . 17588 1 997 . 1 1 87 87 LEU HA H 1 4.100 0.030 . 1 . . . A 82 LEU HA . 17588 1 998 . 1 1 87 87 LEU HB2 H 1 1.594 0.030 . 2 . . . A 82 LEU HB2 . 17588 1 999 . 1 1 87 87 LEU HB3 H 1 1.710 0.030 . 2 . . . A 82 LEU HB3 . 17588 1 1000 . 1 1 87 87 LEU HG H 1 1.657 0.030 . 1 . . . A 82 LEU HG . 17588 1 1001 . 1 1 87 87 LEU HD11 H 1 0.871 0.030 . 2 . . . A 82 LEU HD11 . 17588 1 1002 . 1 1 87 87 LEU HD12 H 1 0.871 0.030 . 2 . . . A 82 LEU HD12 . 17588 1 1003 . 1 1 87 87 LEU HD13 H 1 0.871 0.030 . 2 . . . A 82 LEU HD13 . 17588 1 1004 . 1 1 87 87 LEU HD21 H 1 0.300 0.030 . 2 . . . A 82 LEU HD21 . 17588 1 1005 . 1 1 87 87 LEU HD22 H 1 0.300 0.030 . 2 . . . A 82 LEU HD22 . 17588 1 1006 . 1 1 87 87 LEU HD23 H 1 0.300 0.030 . 2 . . . A 82 LEU HD23 . 17588 1 1007 . 1 1 87 87 LEU C C 13 176.474 0.300 . 1 . . . A 82 LEU C . 17588 1 1008 . 1 1 87 87 LEU CA C 13 54.549 0.300 . 1 . . . A 82 LEU CA . 17588 1 1009 . 1 1 87 87 LEU CB C 13 41.371 0.300 . 1 . . . A 82 LEU CB . 17588 1 1010 . 1 1 87 87 LEU CG C 13 26.074 0.300 . 1 . . . A 82 LEU CG . 17588 1 1011 . 1 1 87 87 LEU CD1 C 13 26.095 0.300 . 2 . . . A 82 LEU CD1 . 17588 1 1012 . 1 1 87 87 LEU CD2 C 13 21.766 0.300 . 2 . . . A 82 LEU CD2 . 17588 1 1013 . 1 1 87 87 LEU N N 15 112.533 0.300 . 1 . . . A 82 LEU N . 17588 1 1014 . 1 1 88 88 LYS H H 1 7.328 0.030 . 1 . . . A 83 LYS H . 17588 1 1015 . 1 1 88 88 LYS HA H 1 4.248 0.030 . 1 . . . A 83 LYS HA . 17588 1 1016 . 1 1 88 88 LYS HB2 H 1 1.789 0.030 . 2 . . . A 83 LYS HB2 . 17588 1 1017 . 1 1 88 88 LYS HB3 H 1 1.887 0.030 . 2 . . . A 83 LYS HB3 . 17588 1 1018 . 1 1 88 88 LYS HG2 H 1 1.382 0.030 . 2 . . . A 83 LYS HG2 . 17588 1 1019 . 1 1 88 88 LYS HG3 H 1 1.417 0.030 . 2 . . . A 83 LYS HG3 . 17588 1 1020 . 1 1 88 88 LYS HD2 H 1 1.557 0.030 . 1 . . . A 83 LYS HD2 . 17588 1 1021 . 1 1 88 88 LYS HD3 H 1 1.557 0.030 . 1 . . . A 83 LYS HD3 . 17588 1 1022 . 1 1 88 88 LYS HE2 H 1 2.759 0.030 . 1 . . . A 83 LYS HE2 . 17588 1 1023 . 1 1 88 88 LYS HE3 H 1 2.759 0.030 . 1 . . . A 83 LYS HE3 . 17588 1 1024 . 1 1 88 88 LYS C C 13 176.594 0.300 . 1 . . . A 83 LYS C . 17588 1 1025 . 1 1 88 88 LYS CA C 13 57.674 0.300 . 1 . . . A 83 LYS CA . 17588 1 1026 . 1 1 88 88 LYS CB C 13 32.671 0.300 . 1 . . . A 83 LYS CB . 17588 1 1027 . 1 1 88 88 LYS CG C 13 24.698 0.300 . 1 . . . A 83 LYS CG . 17588 1 1028 . 1 1 88 88 LYS CD C 13 29.137 0.300 . 1 . . . A 83 LYS CD . 17588 1 1029 . 1 1 88 88 LYS CE C 13 41.877 0.300 . 1 . . . A 83 LYS CE . 17588 1 1030 . 1 1 88 88 LYS N N 15 119.798 0.300 . 1 . . . A 83 LYS N . 17588 1 1031 . 1 1 89 89 SER H H 1 8.197 0.030 . 1 . . . A 84 SER H . 17588 1 1032 . 1 1 89 89 SER HA H 1 4.785 0.030 . 1 . . . A 84 SER HA . 17588 1 1033 . 1 1 89 89 SER HB2 H 1 3.990 0.030 . 2 . . . A 84 SER HB2 . 17588 1 1034 . 1 1 89 89 SER HB3 H 1 3.854 0.030 . 2 . . . A 84 SER HB3 . 17588 1 1035 . 1 1 89 89 SER CA C 13 57.375 0.300 . 1 . . . A 84 SER CA . 17588 1 1036 . 1 1 89 89 SER CB C 13 64.838 0.300 . 1 . . . A 84 SER CB . 17588 1 1037 . 1 1 89 89 SER N N 15 117.937 0.300 . 1 . . . A 84 SER N . 17588 1 1038 . 1 1 90 90 LYS H H 1 7.981 0.030 . 1 . . . A 85 LYS H . 17588 1 1039 . 1 1 90 90 LYS HA H 1 4.154 0.030 . 1 . . . A 85 LYS HA . 17588 1 1040 . 1 1 90 90 LYS HB2 H 1 1.922 0.030 . 1 . . . A 85 LYS HB2 . 17588 1 1041 . 1 1 90 90 LYS HB3 H 1 1.922 0.030 . 1 . . . A 85 LYS HB3 . 17588 1 1042 . 1 1 90 90 LYS HG2 H 1 1.473 0.030 . 1 . . . A 85 LYS HG2 . 17588 1 1043 . 1 1 90 90 LYS HG3 H 1 1.473 0.030 . 1 . . . A 85 LYS HG3 . 17588 1 1044 . 1 1 90 90 LYS HD2 H 1 1.698 0.030 . 1 . . . A 85 LYS HD2 . 17588 1 1045 . 1 1 90 90 LYS HD3 H 1 1.698 0.030 . 1 . . . A 85 LYS HD3 . 17588 1 1046 . 1 1 90 90 LYS C C 13 177.472 0.300 . 1 . . . A 85 LYS C . 17588 1 1047 . 1 1 90 90 LYS CA C 13 58.394 0.300 . 1 . . . A 85 LYS CA . 17588 1 1048 . 1 1 90 90 LYS CB C 13 31.767 0.300 . 1 . . . A 85 LYS CB . 17588 1 1049 . 1 1 90 90 LYS CG C 13 25.109 0.300 . 1 . . . A 85 LYS CG . 17588 1 1050 . 1 1 90 90 LYS CD C 13 29.451 0.300 . 1 . . . A 85 LYS CD . 17588 1 1051 . 1 1 90 90 LYS CE C 13 42.288 0.300 . 1 . . . A 85 LYS CE . 17588 1 1052 . 1 1 91 91 THR H H 1 7.942 0.030 . 1 . . . A 86 THR H . 17588 1 1053 . 1 1 91 91 THR HA H 1 4.342 0.030 . 1 . . . A 86 THR HA . 17588 1 1054 . 1 1 91 91 THR HB H 1 4.161 0.030 . 1 . . . A 86 THR HB . 17588 1 1055 . 1 1 91 91 THR HG21 H 1 1.169 0.030 . 1 . . . A 86 THR HG21 . 17588 1 1056 . 1 1 91 91 THR HG22 H 1 1.169 0.030 . 1 . . . A 86 THR HG22 . 17588 1 1057 . 1 1 91 91 THR HG23 H 1 1.169 0.030 . 1 . . . A 86 THR HG23 . 17588 1 1058 . 1 1 91 91 THR C C 13 174.236 0.300 . 1 . . . A 86 THR C . 17588 1 1059 . 1 1 91 91 THR CA C 13 61.203 0.300 . 1 . . . A 86 THR CA . 17588 1 1060 . 1 1 91 91 THR CB C 13 69.254 0.300 . 1 . . . A 86 THR CB . 17588 1 1061 . 1 1 91 91 THR CG2 C 13 21.575 0.300 . 1 . . . A 86 THR CG2 . 17588 1 1062 . 1 1 91 91 THR N N 15 113.435 0.300 . 1 . . . A 86 THR N . 17588 1 1063 . 1 1 92 92 ALA H H 1 8.603 0.030 . 1 . . . A 87 ALA H . 17588 1 1064 . 1 1 92 92 ALA HA H 1 4.178 0.030 . 1 . . . A 87 ALA HA . 17588 1 1065 . 1 1 92 92 ALA HB1 H 1 1.382 0.030 . 1 . . . A 87 ALA HB1 . 17588 1 1066 . 1 1 92 92 ALA HB2 H 1 1.382 0.030 . 1 . . . A 87 ALA HB2 . 17588 1 1067 . 1 1 92 92 ALA HB3 H 1 1.382 0.030 . 1 . . . A 87 ALA HB3 . 17588 1 1068 . 1 1 92 92 ALA C C 13 178.710 0.300 . 1 . . . A 87 ALA C . 17588 1 1069 . 1 1 92 92 ALA CA C 13 53.583 0.300 . 1 . . . A 87 ALA CA . 17588 1 1070 . 1 1 92 92 ALA CB C 13 18.081 0.300 . 1 . . . A 87 ALA CB . 17588 1 1071 . 1 1 92 92 ALA N N 15 129.685 0.300 . 1 . . . A 87 ALA N . 17588 1 1072 . 1 1 93 93 GLY H H 1 8.823 0.030 . 1 . . . A 88 GLY H . 17588 1 1073 . 1 1 93 93 GLY HA2 H 1 4.009 0.030 . 1 . . . A 88 GLY HA2 . 17588 1 1074 . 1 1 93 93 GLY HA3 H 1 4.009 0.030 . 1 . . . A 88 GLY HA3 . 17588 1 1075 . 1 1 93 93 GLY C C 13 176.310 0.300 . 1 . . . A 88 GLY C . 17588 1 1076 . 1 1 93 93 GLY CA C 13 45.505 0.300 . 1 . . . A 88 GLY CA . 17588 1 1077 . 1 1 93 93 GLY N N 15 109.919 0.300 . 1 . . . A 88 GLY N . 17588 1 1078 . 1 1 94 94 LYS H H 1 7.501 0.030 . 1 . . . A 89 LYS H . 17588 1 1079 . 1 1 94 94 LYS HA H 1 3.792 0.030 . 1 . . . A 89 LYS HA . 17588 1 1080 . 1 1 94 94 LYS HB2 H 1 1.663 0.030 . 2 . . . A 89 LYS HB2 . 17588 1 1081 . 1 1 94 94 LYS HB3 H 1 1.353 0.030 . 2 . . . A 89 LYS HB3 . 17588 1 1082 . 1 1 94 94 LYS HG2 H 1 0.475 0.030 . 2 . . . A 89 LYS HG2 . 17588 1 1083 . 1 1 94 94 LYS HG3 H 1 0.904 0.030 . 2 . . . A 89 LYS HG3 . 17588 1 1084 . 1 1 94 94 LYS HD2 H 1 1.460 0.030 . 1 . . . A 89 LYS HD2 . 17588 1 1085 . 1 1 94 94 LYS HD3 H 1 1.460 0.030 . 1 . . . A 89 LYS HD3 . 17588 1 1086 . 1 1 94 94 LYS HE2 H 1 2.774 0.030 . 2 . . . A 89 LYS HE2 . 17588 1 1087 . 1 1 94 94 LYS HE3 H 1 2.842 0.030 . 2 . . . A 89 LYS HE3 . 17588 1 1088 . 1 1 94 94 LYS C C 13 177.630 0.300 . 1 . . . A 89 LYS C . 17588 1 1089 . 1 1 94 94 LYS CA C 13 59.606 0.300 . 1 . . . A 89 LYS CA . 17588 1 1090 . 1 1 94 94 LYS CB C 13 33.246 0.300 . 1 . . . A 89 LYS CB . 17588 1 1091 . 1 1 94 94 LYS CG C 13 24.193 0.300 . 1 . . . A 89 LYS CG . 17588 1 1092 . 1 1 94 94 LYS CD C 13 29.526 0.300 . 1 . . . A 89 LYS CD . 17588 1 1093 . 1 1 94 94 LYS CE C 13 42.148 0.300 . 1 . . . A 89 LYS CE . 17588 1 1094 . 1 1 94 94 LYS N N 15 120.949 0.300 . 1 . . . A 89 LYS N . 17588 1 1095 . 1 1 95 95 TYR H H 1 8.670 0.030 . 1 . . . A 90 TYR H . 17588 1 1096 . 1 1 95 95 TYR HA H 1 5.047 0.030 . 1 . . . A 90 TYR HA . 17588 1 1097 . 1 1 95 95 TYR HB2 H 1 3.515 0.030 . 2 . . . A 90 TYR HB2 . 17588 1 1098 . 1 1 95 95 TYR HB3 H 1 2.956 0.030 . 2 . . . A 90 TYR HB3 . 17588 1 1099 . 1 1 95 95 TYR HD1 H 1 7.227 0.030 . 1 . . . A 90 TYR HD1 . 17588 1 1100 . 1 1 95 95 TYR HD2 H 1 7.227 0.030 . 1 . . . A 90 TYR HD2 . 17588 1 1101 . 1 1 95 95 TYR HE1 H 1 6.791 0.030 . 1 . . . A 90 TYR HE1 . 17588 1 1102 . 1 1 95 95 TYR HE2 H 1 6.791 0.030 . 1 . . . A 90 TYR HE2 . 17588 1 1103 . 1 1 95 95 TYR C C 13 176.649 0.300 . 1 . . . A 90 TYR C . 17588 1 1104 . 1 1 95 95 TYR CA C 13 56.936 0.300 . 1 . . . A 90 TYR CA . 17588 1 1105 . 1 1 95 95 TYR CB C 13 39.000 0.300 . 1 . . . A 90 TYR CB . 17588 1 1106 . 1 1 95 95 TYR CD1 C 13 133.265 0.300 . 1 . . . A 90 TYR CD1 . 17588 1 1107 . 1 1 95 95 TYR CD2 C 13 133.265 0.300 . 1 . . . A 90 TYR CD2 . 17588 1 1108 . 1 1 95 95 TYR CE1 C 13 117.695 0.300 . 1 . . . A 90 TYR CE1 . 17588 1 1109 . 1 1 95 95 TYR CE2 C 13 117.695 0.300 . 1 . . . A 90 TYR CE2 . 17588 1 1110 . 1 1 95 95 TYR N N 15 113.034 0.300 . 1 . . . A 90 TYR N . 17588 1 1111 . 1 1 96 96 ASP H H 1 7.756 0.030 . 1 . . . A 91 ASP H . 17588 1 1112 . 1 1 96 96 ASP HA H 1 4.329 0.030 . 1 . . . A 91 ASP HA . 17588 1 1113 . 1 1 96 96 ASP HB2 H 1 2.772 0.030 . 2 . . . A 91 ASP HB2 . 17588 1 1114 . 1 1 96 96 ASP HB3 H 1 2.708 0.030 . 2 . . . A 91 ASP HB3 . 17588 1 1115 . 1 1 96 96 ASP C C 13 178.087 0.300 . 1 . . . A 91 ASP C . 17588 1 1116 . 1 1 96 96 ASP CA C 13 58.619 0.300 . 1 . . . A 91 ASP CA . 17588 1 1117 . 1 1 96 96 ASP CB C 13 39.570 0.300 . 1 . . . A 91 ASP CB . 17588 1 1118 . 1 1 96 96 ASP N N 15 123.097 0.300 . 1 . . . A 91 ASP N . 17588 1 1119 . 1 1 97 97 ARG H H 1 8.897 0.030 . 1 . . . A 92 ARG H . 17588 1 1120 . 1 1 97 97 ARG HA H 1 4.262 0.030 . 1 . . . A 92 ARG HA . 17588 1 1121 . 1 1 97 97 ARG HB2 H 1 2.019 0.030 . 2 . . . A 92 ARG HB2 . 17588 1 1122 . 1 1 97 97 ARG HB3 H 1 1.952 0.030 . 2 . . . A 92 ARG HB3 . 17588 1 1123 . 1 1 97 97 ARG HG2 H 1 1.745 0.030 . 2 . . . A 92 ARG HG2 . 17588 1 1124 . 1 1 97 97 ARG HG3 H 1 1.817 0.030 . 2 . . . A 92 ARG HG3 . 17588 1 1125 . 1 1 97 97 ARG HD2 H 1 3.292 0.030 . 1 . . . A 92 ARG HD2 . 17588 1 1126 . 1 1 97 97 ARG HD3 H 1 3.292 0.030 . 1 . . . A 92 ARG HD3 . 17588 1 1127 . 1 1 97 97 ARG C C 13 179.927 0.300 . 1 . . . A 92 ARG C . 17588 1 1128 . 1 1 97 97 ARG CA C 13 59.746 0.300 . 1 . . . A 92 ARG CA . 17588 1 1129 . 1 1 97 97 ARG CB C 13 29.794 0.300 . 1 . . . A 92 ARG CB . 17588 1 1130 . 1 1 97 97 ARG CG C 13 27.493 0.300 . 1 . . . A 92 ARG CG . 17588 1 1131 . 1 1 97 97 ARG CD C 13 43.603 0.300 . 1 . . . A 92 ARG CD . 17588 1 1132 . 1 1 97 97 ARG N N 15 118.384 0.300 . 1 . . . A 92 ARG N . 17588 1 1133 . 1 1 98 98 VAL H H 1 7.578 0.030 . 1 . . . A 93 VAL H . 17588 1 1134 . 1 1 98 98 VAL HA H 1 3.938 0.030 . 1 . . . A 93 VAL HA . 17588 1 1135 . 1 1 98 98 VAL HB H 1 2.592 0.030 . 1 . . . A 93 VAL HB . 17588 1 1136 . 1 1 98 98 VAL HG11 H 1 1.454 0.030 . 2 . . . A 93 VAL HG11 . 17588 1 1137 . 1 1 98 98 VAL HG12 H 1 1.454 0.030 . 2 . . . A 93 VAL HG12 . 17588 1 1138 . 1 1 98 98 VAL HG13 H 1 1.454 0.030 . 2 . . . A 93 VAL HG13 . 17588 1 1139 . 1 1 98 98 VAL HG21 H 1 1.334 0.030 . 2 . . . A 93 VAL HG21 . 17588 1 1140 . 1 1 98 98 VAL HG22 H 1 1.334 0.030 . 2 . . . A 93 VAL HG22 . 17588 1 1141 . 1 1 98 98 VAL HG23 H 1 1.334 0.030 . 2 . . . A 93 VAL HG23 . 17588 1 1142 . 1 1 98 98 VAL C C 13 179.630 0.300 . 1 . . . A 93 VAL C . 17588 1 1143 . 1 1 98 98 VAL CA C 13 65.804 0.300 . 1 . . . A 93 VAL CA . 17588 1 1144 . 1 1 98 98 VAL CB C 13 32.054 0.300 . 1 . . . A 93 VAL CB . 17588 1 1145 . 1 1 98 98 VAL CG1 C 13 22.864 0.300 . 2 . . . A 93 VAL CG1 . 17588 1 1146 . 1 1 98 98 VAL CG2 C 13 22.876 0.300 . 2 . . . A 93 VAL CG2 . 17588 1 1147 . 1 1 98 98 VAL N N 15 119.642 0.300 . 1 . . . A 93 VAL N . 17588 1 1148 . 1 1 99 99 TYR H H 1 8.635 0.030 . 1 . . . A 94 TYR H . 17588 1 1149 . 1 1 99 99 TYR HA H 1 3.934 0.030 . 1 . . . A 94 TYR HA . 17588 1 1150 . 1 1 99 99 TYR HB2 H 1 2.990 0.030 . 2 . . . A 94 TYR HB2 . 17588 1 1151 . 1 1 99 99 TYR HB3 H 1 3.205 0.030 . 2 . . . A 94 TYR HB3 . 17588 1 1152 . 1 1 99 99 TYR HD1 H 1 6.925 0.030 . 1 . . . A 94 TYR HD1 . 17588 1 1153 . 1 1 99 99 TYR HD2 H 1 6.925 0.030 . 1 . . . A 94 TYR HD2 . 17588 1 1154 . 1 1 99 99 TYR HE1 H 1 6.894 0.030 . 1 . . . A 94 TYR HE1 . 17588 1 1155 . 1 1 99 99 TYR HE2 H 1 6.894 0.030 . 1 . . . A 94 TYR HE2 . 17588 1 1156 . 1 1 99 99 TYR C C 13 176.400 0.300 . 1 . . . A 94 TYR C . 17588 1 1157 . 1 1 99 99 TYR CA C 13 62.906 0.300 . 1 . . . A 94 TYR CA . 17588 1 1158 . 1 1 99 99 TYR CB C 13 38.322 0.300 . 1 . . . A 94 TYR CB . 17588 1 1159 . 1 1 99 99 TYR CD1 C 13 132.251 0.300 . 1 . . . A 94 TYR CD1 . 17588 1 1160 . 1 1 99 99 TYR CD2 C 13 132.251 0.300 . 1 . . . A 94 TYR CD2 . 17588 1 1161 . 1 1 99 99 TYR CE1 C 13 118.696 0.300 . 1 . . . A 94 TYR CE1 . 17588 1 1162 . 1 1 99 99 TYR CE2 C 13 118.696 0.300 . 1 . . . A 94 TYR CE2 . 17588 1 1163 . 1 1 99 99 TYR N N 15 122.432 0.300 . 1 . . . A 94 TYR N . 17588 1 1164 . 1 1 100 100 ASN H H 1 9.024 0.030 . 1 . . . A 95 ASN H . 17588 1 1165 . 1 1 100 100 ASN HA H 1 4.286 0.030 . 1 . . . A 95 ASN HA . 17588 1 1166 . 1 1 100 100 ASN HB2 H 1 2.841 0.030 . 2 . . . A 95 ASN HB2 . 17588 1 1167 . 1 1 100 100 ASN HB3 H 1 2.959 0.030 . 2 . . . A 95 ASN HB3 . 17588 1 1168 . 1 1 100 100 ASN HD21 H 1 7.073 0.030 . 2 . . . A 95 ASN HD21 . 17588 1 1169 . 1 1 100 100 ASN HD22 H 1 7.683 0.030 . 2 . . . A 95 ASN HD22 . 17588 1 1170 . 1 1 100 100 ASN C C 13 178.488 0.300 . 1 . . . A 95 ASN C . 17588 1 1171 . 1 1 100 100 ASN CA C 13 55.856 0.300 . 1 . . . A 95 ASN CA . 17588 1 1172 . 1 1 100 100 ASN CB C 13 37.849 0.300 . 1 . . . A 95 ASN CB . 17588 1 1173 . 1 1 100 100 ASN N N 15 117.211 0.300 . 1 . . . A 95 ASN N . 17588 1 1174 . 1 1 100 100 ASN ND2 N 15 111.885 0.300 . 1 . . . A 95 ASN ND2 . 17588 1 1175 . 1 1 101 101 GLY H H 1 7.908 0.030 . 1 . . . A 96 GLY H . 17588 1 1176 . 1 1 101 101 GLY HA2 H 1 3.930 0.030 . 2 . . . A 96 GLY HA2 . 17588 1 1177 . 1 1 101 101 GLY HA3 H 1 4.330 0.030 . 2 . . . A 96 GLY HA3 . 17588 1 1178 . 1 1 101 101 GLY C C 13 175.833 0.300 . 1 . . . A 96 GLY C . 17588 1 1179 . 1 1 101 101 GLY CA C 13 47.032 0.300 . 1 . . . A 96 GLY CA . 17588 1 1180 . 1 1 101 101 GLY N N 15 105.413 0.300 . 1 . . . A 96 GLY N . 17588 1 1181 . 1 1 102 102 TYR H H 1 7.581 0.030 . 1 . . . A 97 TYR H . 17588 1 1182 . 1 1 102 102 TYR HA H 1 3.467 0.030 . 1 . . . A 97 TYR HA . 17588 1 1183 . 1 1 102 102 TYR HB2 H 1 2.982 0.030 . 2 . . . A 97 TYR HB2 . 17588 1 1184 . 1 1 102 102 TYR HB3 H 1 2.875 0.030 . 2 . . . A 97 TYR HB3 . 17588 1 1185 . 1 1 102 102 TYR HD1 H 1 6.699 0.030 . 1 . . . A 97 TYR HD1 . 17588 1 1186 . 1 1 102 102 TYR HD2 H 1 6.699 0.030 . 1 . . . A 97 TYR HD2 . 17588 1 1187 . 1 1 102 102 TYR HE1 H 1 6.829 0.030 . 1 . . . A 97 TYR HE1 . 17588 1 1188 . 1 1 102 102 TYR HE2 H 1 6.829 0.030 . 1 . . . A 97 TYR HE2 . 17588 1 1189 . 1 1 102 102 TYR C C 13 176.016 0.300 . 1 . . . A 97 TYR C . 17588 1 1190 . 1 1 102 102 TYR CA C 13 59.553 0.300 . 1 . . . A 97 TYR CA . 17588 1 1191 . 1 1 102 102 TYR CB C 13 37.890 0.300 . 1 . . . A 97 TYR CB . 17588 1 1192 . 1 1 102 102 TYR CD1 C 13 132.066 0.300 . 1 . . . A 97 TYR CD1 . 17588 1 1193 . 1 1 102 102 TYR CD2 C 13 132.066 0.300 . 1 . . . A 97 TYR CD2 . 17588 1 1194 . 1 1 102 102 TYR CE1 C 13 118.558 0.300 . 1 . . . A 97 TYR CE1 . 17588 1 1195 . 1 1 102 102 TYR CE2 C 13 118.558 0.300 . 1 . . . A 97 TYR CE2 . 17588 1 1196 . 1 1 102 102 TYR N N 15 126.373 0.300 . 1 . . . A 97 TYR N . 17588 1 1197 . 1 1 103 103 VAL H H 1 7.510 0.030 . 1 . . . A 98 VAL H . 17588 1 1198 . 1 1 103 103 VAL HA H 1 3.142 0.030 . 1 . . . A 98 VAL HA . 17588 1 1199 . 1 1 103 103 VAL HB H 1 2.158 0.030 . 1 . . . A 98 VAL HB . 17588 1 1200 . 1 1 103 103 VAL HG11 H 1 0.806 0.030 . 2 . . . A 98 VAL HG11 . 17588 1 1201 . 1 1 103 103 VAL HG12 H 1 0.806 0.030 . 2 . . . A 98 VAL HG12 . 17588 1 1202 . 1 1 103 103 VAL HG13 H 1 0.806 0.030 . 2 . . . A 98 VAL HG13 . 17588 1 1203 . 1 1 103 103 VAL HG21 H 1 0.663 0.030 . 2 . . . A 98 VAL HG21 . 17588 1 1204 . 1 1 103 103 VAL HG22 H 1 0.663 0.030 . 2 . . . A 98 VAL HG22 . 17588 1 1205 . 1 1 103 103 VAL HG23 H 1 0.663 0.030 . 2 . . . A 98 VAL HG23 . 17588 1 1206 . 1 1 103 103 VAL C C 13 178.786 0.300 . 1 . . . A 98 VAL C . 17588 1 1207 . 1 1 103 103 VAL CA C 13 66.577 0.300 . 1 . . . A 98 VAL CA . 17588 1 1208 . 1 1 103 103 VAL CB C 13 31.747 0.300 . 1 . . . A 98 VAL CB . 17588 1 1209 . 1 1 103 103 VAL CG1 C 13 21.251 0.300 . 2 . . . A 98 VAL CG1 . 17588 1 1210 . 1 1 103 103 VAL CG2 C 13 23.011 0.300 . 2 . . . A 98 VAL CG2 . 17588 1 1211 . 1 1 103 103 VAL N N 15 117.870 0.300 . 1 . . . A 98 VAL N . 17588 1 1212 . 1 1 104 104 ILE H H 1 7.056 0.030 . 1 . . . A 99 ILE H . 17588 1 1213 . 1 1 104 104 ILE HA H 1 3.692 0.030 . 1 . . . A 99 ILE HA . 17588 1 1214 . 1 1 104 104 ILE HB H 1 1.851 0.030 . 1 . . . A 99 ILE HB . 17588 1 1215 . 1 1 104 104 ILE HG12 H 1 1.603 0.030 . 2 . . . A 99 ILE HG12 . 17588 1 1216 . 1 1 104 104 ILE HG13 H 1 1.215 0.030 . 2 . . . A 99 ILE HG13 . 17588 1 1217 . 1 1 104 104 ILE HG21 H 1 0.924 0.030 . 1 . . . A 99 ILE HG21 . 17588 1 1218 . 1 1 104 104 ILE HG22 H 1 0.924 0.030 . 1 . . . A 99 ILE HG22 . 17588 1 1219 . 1 1 104 104 ILE HG23 H 1 0.924 0.030 . 1 . . . A 99 ILE HG23 . 17588 1 1220 . 1 1 104 104 ILE HD11 H 1 0.844 0.030 . 1 . . . A 99 ILE HD11 . 17588 1 1221 . 1 1 104 104 ILE HD12 H 1 0.844 0.030 . 1 . . . A 99 ILE HD12 . 17588 1 1222 . 1 1 104 104 ILE HD13 H 1 0.844 0.030 . 1 . . . A 99 ILE HD13 . 17588 1 1223 . 1 1 104 104 ILE C C 13 178.703 0.300 . 1 . . . A 99 ILE C . 17588 1 1224 . 1 1 104 104 ILE CA C 13 63.837 0.300 . 1 . . . A 99 ILE CA . 17588 1 1225 . 1 1 104 104 ILE CB C 13 37.932 0.300 . 1 . . . A 99 ILE CB . 17588 1 1226 . 1 1 104 104 ILE CG1 C 13 28.951 0.300 . 1 . . . A 99 ILE CG1 . 17588 1 1227 . 1 1 104 104 ILE CG2 C 13 17.368 0.300 . 1 . . . A 99 ILE CG2 . 17588 1 1228 . 1 1 104 104 ILE CD1 C 13 12.780 0.300 . 1 . . . A 99 ILE CD1 . 17588 1 1229 . 1 1 104 104 ILE N N 15 116.770 0.300 . 1 . . . A 99 ILE N . 17588 1 1230 . 1 1 105 105 HIS H H 1 7.864 0.030 . 1 . . . A 100 HIS H . 17588 1 1231 . 1 1 105 105 HIS HA H 1 3.952 0.030 . 1 . . . A 100 HIS HA . 17588 1 1232 . 1 1 105 105 HIS HB2 H 1 2.972 0.030 . 2 . . . A 100 HIS HB2 . 17588 1 1233 . 1 1 105 105 HIS HB3 H 1 3.152 0.030 . 2 . . . A 100 HIS HB3 . 17588 1 1234 . 1 1 105 105 HIS HD2 H 1 6.509 0.030 . 1 . . . A 100 HIS HD2 . 17588 1 1235 . 1 1 105 105 HIS HE1 H 1 7.782 0.030 . 1 . . . A 100 HIS HE1 . 17588 1 1236 . 1 1 105 105 HIS C C 13 176.974 0.300 . 1 . . . A 100 HIS C . 17588 1 1237 . 1 1 105 105 HIS CA C 13 60.150 0.300 . 1 . . . A 100 HIS CA . 17588 1 1238 . 1 1 105 105 HIS CB C 13 30.524 0.300 . 1 . . . A 100 HIS CB . 17588 1 1239 . 1 1 105 105 HIS CD2 C 13 121.221 0.300 . 1 . . . A 100 HIS CD2 . 17588 1 1240 . 1 1 105 105 HIS CE1 C 13 138.878 0.300 . 1 . . . A 100 HIS CE1 . 17588 1 1241 . 1 1 105 105 HIS N N 15 121.324 0.300 . 1 . . . A 100 HIS N . 17588 1 1242 . 1 1 106 106 LEU H H 1 7.517 0.030 . 1 . . . A 101 LEU H . 17588 1 1243 . 1 1 106 106 LEU HA H 1 3.835 0.030 . 1 . . . A 101 LEU HA . 17588 1 1244 . 1 1 106 106 LEU HB2 H 1 1.391 0.030 . 2 . . . A 101 LEU HB2 . 17588 1 1245 . 1 1 106 106 LEU HB3 H 1 1.249 0.030 . 2 . . . A 101 LEU HB3 . 17588 1 1246 . 1 1 106 106 LEU HG H 1 1.043 0.030 . 1 . . . A 101 LEU HG . 17588 1 1247 . 1 1 106 106 LEU HD11 H 1 0.475 0.030 . 2 . . . A 101 LEU HD11 . 17588 1 1248 . 1 1 106 106 LEU HD12 H 1 0.475 0.030 . 2 . . . A 101 LEU HD12 . 17588 1 1249 . 1 1 106 106 LEU HD13 H 1 0.475 0.030 . 2 . . . A 101 LEU HD13 . 17588 1 1250 . 1 1 106 106 LEU HD21 H 1 0.769 0.030 . 2 . . . A 101 LEU HD21 . 17588 1 1251 . 1 1 106 106 LEU HD22 H 1 0.769 0.030 . 2 . . . A 101 LEU HD22 . 17588 1 1252 . 1 1 106 106 LEU HD23 H 1 0.769 0.030 . 2 . . . A 101 LEU HD23 . 17588 1 1253 . 1 1 106 106 LEU C C 13 177.315 0.300 . 1 . . . A 101 LEU C . 17588 1 1254 . 1 1 106 106 LEU CA C 13 55.707 0.300 . 1 . . . A 101 LEU CA . 17588 1 1255 . 1 1 106 106 LEU CB C 13 42.041 0.300 . 1 . . . A 101 LEU CB . 17588 1 1256 . 1 1 106 106 LEU CG C 13 26.211 0.300 . 1 . . . A 101 LEU CG . 17588 1 1257 . 1 1 106 106 LEU CD1 C 13 25.274 0.300 . 2 . . . A 101 LEU CD1 . 17588 1 1258 . 1 1 106 106 LEU CD2 C 13 22.030 0.300 . 2 . . . A 101 LEU CD2 . 17588 1 1259 . 1 1 106 106 LEU N N 15 115.126 0.300 . 1 . . . A 101 LEU N . 17588 1 1260 . 1 1 107 107 ASP H H 1 7.512 0.030 . 1 . . . A 102 ASP H . 17588 1 1261 . 1 1 107 107 ASP HA H 1 4.501 0.030 . 1 . . . A 102 ASP HA . 17588 1 1262 . 1 1 107 107 ASP HB2 H 1 2.726 0.030 . 2 . . . A 102 ASP HB2 . 17588 1 1263 . 1 1 107 107 ASP HB3 H 1 2.500 0.030 . 2 . . . A 102 ASP HB3 . 17588 1 1264 . 1 1 107 107 ASP C C 13 175.224 0.300 . 1 . . . A 102 ASP C . 17588 1 1265 . 1 1 107 107 ASP CA C 13 54.618 0.300 . 1 . . . A 102 ASP CA . 17588 1 1266 . 1 1 107 107 ASP CB C 13 40.765 0.300 . 1 . . . A 102 ASP CB . 17588 1 1267 . 1 1 107 107 ASP N N 15 119.221 0.300 . 1 . . . A 102 ASP N . 17588 1 1268 . 1 1 108 108 TYR H H 1 7.468 0.030 . 1 . . . A 103 TYR H . 17588 1 1269 . 1 1 108 108 TYR HA H 1 4.248 0.030 . 1 . . . A 103 TYR HA . 17588 1 1270 . 1 1 108 108 TYR HB2 H 1 2.978 0.030 . 2 . . . A 103 TYR HB2 . 17588 1 1271 . 1 1 108 108 TYR HB3 H 1 2.849 0.030 . 2 . . . A 103 TYR HB3 . 17588 1 1272 . 1 1 108 108 TYR HD1 H 1 7.064 0.030 . 1 . . . A 103 TYR HD1 . 17588 1 1273 . 1 1 108 108 TYR HD2 H 1 7.064 0.030 . 1 . . . A 103 TYR HD2 . 17588 1 1274 . 1 1 108 108 TYR HE1 H 1 6.762 0.030 . 1 . . . A 103 TYR HE1 . 17588 1 1275 . 1 1 108 108 TYR HE2 H 1 6.762 0.030 . 1 . . . A 103 TYR HE2 . 17588 1 1276 . 1 1 108 108 TYR C C 13 181.026 0.300 . 1 . . . A 103 TYR C . 17588 1 1277 . 1 1 108 108 TYR CA C 13 59.658 0.300 . 1 . . . A 103 TYR CA . 17588 1 1278 . 1 1 108 108 TYR CB C 13 39.000 0.300 . 1 . . . A 103 TYR CB . 17588 1 1279 . 1 1 108 108 TYR CD1 C 13 133.143 0.300 . 1 . . . A 103 TYR CD1 . 17588 1 1280 . 1 1 108 108 TYR CD2 C 13 133.143 0.300 . 1 . . . A 103 TYR CD2 . 17588 1 1281 . 1 1 108 108 TYR CE1 C 13 118.142 0.300 . 1 . . . A 103 TYR CE1 . 17588 1 1282 . 1 1 108 108 TYR CE2 C 13 118.142 0.300 . 1 . . . A 103 TYR CE2 . 17588 1 1283 . 1 1 108 108 TYR N N 15 124.389 0.300 . 1 . . . A 103 TYR N . 17588 1 stop_ save_