data_19372 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19372 _Entry.Title ; Solution structure of Ani s 5 Anisakis simplex allergen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-17 _Entry.Accession_date 2013-07-17 _Entry.Last_release_date 2014-04-14 _Entry.Original_release_date 2014-04-14 _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 'Maria Flor' Garcia-Mayoral . . . 19372 2 Miguel Trevino . . . 19372 3 Teresa Perez-Pinar . . . 19372 4 'Maria Luisa' Caballero . . . 19372 5 Tobias Knaute . . . 19372 6 Ana Umpierrez . . . 19372 7 Marta Bruix . . . 19372 8 Rosa Rodriguez-Perez . . . 19372 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' . 19372 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 19372 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19372 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 19372 '15N chemical shifts' 125 19372 '1H chemical shifts' 834 19372 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 . . 2014-04-14 2013-07-17 original author . 19372 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19372 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24603892 _Citation.Full_citation . _Citation.Title 'Relationships between IgE/IgG4 Epitopes, Structure and Function in Anisakis simplex Ani s 5, a Member of the SXP/RAL-2 Protein Family.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Negl. Trop. Dis.' _Citation.Journal_name_full 'PLoS neglected tropical diseases' _Citation.Journal_volume 8 _Citation.Journal_issue 3 _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 e2735 _Citation.Page_last e2735 _Citation.Year 2014 _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 'Maria Flor' Garcia-Mayoral . . . 19372 1 2 'Miguel Angel' Trevino . . . 19372 1 3 Teresa Perez-Pinar . . . 19372 1 4 'Maria Luisa' Caballero . . . 19372 1 5 Tobias Knaute . . . 19372 1 6 Ana Umpierrez . . . 19372 1 7 Marta Bruix . . . 19372 1 8 Rosa Rodriguez-Perez . . . 19372 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19372 _Assembly.ID 1 _Assembly.Name 'Ani s 5 Anisakis simplex allergen' _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 'Ani s 5 Anisakis simplex allergen' 1 $entity A . yes native no no . . . 19372 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19372 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDTPPPPPFLAGAPQDVVKA FFELLKKDETKTDPEIEKDL DAWVDTLGGDYKAKFETFKK EMKAKEAELAKAHEEAVAKM TPEAKKADAELSKIAEDDSL NGIQKAQKIQAIYKTLPQSV KDELEKGIGPAVPQ ; _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 134 _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 14759.873 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MAR . "Solution Structure Of Ani S 5 Anisakis Simplex Allergen" . . . . . 100.00 134 100.00 100.00 3.14e-86 . . . . 19372 1 2 no DBJ BAF43534 . "SXP/RAL-2 family protein [Anisakis simplex]" . . . . . 100.00 152 100.00 100.00 2.53e-86 . . . . 19372 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 . ASP . 19372 1 2 . ASP . 19372 1 3 . THR . 19372 1 4 . PRO . 19372 1 5 . PRO . 19372 1 6 . PRO . 19372 1 7 . PRO . 19372 1 8 . PRO . 19372 1 9 . PHE . 19372 1 10 . LEU . 19372 1 11 . ALA . 19372 1 12 . GLY . 19372 1 13 . ALA . 19372 1 14 . PRO . 19372 1 15 . GLN . 19372 1 16 . ASP . 19372 1 17 . VAL . 19372 1 18 . VAL . 19372 1 19 . LYS . 19372 1 20 . ALA . 19372 1 21 . PHE . 19372 1 22 . PHE . 19372 1 23 . GLU . 19372 1 24 . LEU . 19372 1 25 . LEU . 19372 1 26 . LYS . 19372 1 27 . LYS . 19372 1 28 . ASP . 19372 1 29 . GLU . 19372 1 30 . THR . 19372 1 31 . LYS . 19372 1 32 . THR . 19372 1 33 . ASP . 19372 1 34 . PRO . 19372 1 35 . GLU . 19372 1 36 . ILE . 19372 1 37 . GLU . 19372 1 38 . LYS . 19372 1 39 . ASP . 19372 1 40 . LEU . 19372 1 41 . ASP . 19372 1 42 . ALA . 19372 1 43 . TRP . 19372 1 44 . VAL . 19372 1 45 . ASP . 19372 1 46 . THR . 19372 1 47 . LEU . 19372 1 48 . GLY . 19372 1 49 . GLY . 19372 1 50 . ASP . 19372 1 51 . TYR . 19372 1 52 . LYS . 19372 1 53 . ALA . 19372 1 54 . LYS . 19372 1 55 . PHE . 19372 1 56 . GLU . 19372 1 57 . THR . 19372 1 58 . PHE . 19372 1 59 . LYS . 19372 1 60 . LYS . 19372 1 61 . GLU . 19372 1 62 . MET . 19372 1 63 . LYS . 19372 1 64 . ALA . 19372 1 65 . LYS . 19372 1 66 . GLU . 19372 1 67 . ALA . 19372 1 68 . GLU . 19372 1 69 . LEU . 19372 1 70 . ALA . 19372 1 71 . LYS . 19372 1 72 . ALA . 19372 1 73 . HIS . 19372 1 74 . GLU . 19372 1 75 . GLU . 19372 1 76 . ALA . 19372 1 77 . VAL . 19372 1 78 . ALA . 19372 1 79 . LYS . 19372 1 80 . MET . 19372 1 81 . THR . 19372 1 82 . PRO . 19372 1 83 . GLU . 19372 1 84 . ALA . 19372 1 85 . LYS . 19372 1 86 . LYS . 19372 1 87 . ALA . 19372 1 88 . ASP . 19372 1 89 . ALA . 19372 1 90 . GLU . 19372 1 91 . LEU . 19372 1 92 . SER . 19372 1 93 . LYS . 19372 1 94 . ILE . 19372 1 95 . ALA . 19372 1 96 . GLU . 19372 1 97 . ASP . 19372 1 98 . ASP . 19372 1 99 . SER . 19372 1 100 . LEU . 19372 1 101 . ASN . 19372 1 102 . GLY . 19372 1 103 . ILE . 19372 1 104 . GLN . 19372 1 105 . LYS . 19372 1 106 . ALA . 19372 1 107 . GLN . 19372 1 108 . LYS . 19372 1 109 . ILE . 19372 1 110 . GLN . 19372 1 111 . ALA . 19372 1 112 . ILE . 19372 1 113 . TYR . 19372 1 114 . LYS . 19372 1 115 . THR . 19372 1 116 . LEU . 19372 1 117 . PRO . 19372 1 118 . GLN . 19372 1 119 . SER . 19372 1 120 . VAL . 19372 1 121 . LYS . 19372 1 122 . ASP . 19372 1 123 . GLU . 19372 1 124 . LEU . 19372 1 125 . GLU . 19372 1 126 . LYS . 19372 1 127 . GLY . 19372 1 128 . ILE . 19372 1 129 . GLY . 19372 1 130 . PRO . 19372 1 131 . ALA . 19372 1 132 . VAL . 19372 1 133 . PRO . 19372 1 134 . GLN . 19372 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 . ASP 1 1 19372 1 . ASP 2 2 19372 1 . THR 3 3 19372 1 . PRO 4 4 19372 1 . PRO 5 5 19372 1 . PRO 6 6 19372 1 . PRO 7 7 19372 1 . PRO 8 8 19372 1 . PHE 9 9 19372 1 . LEU 10 10 19372 1 . ALA 11 11 19372 1 . GLY 12 12 19372 1 . ALA 13 13 19372 1 . PRO 14 14 19372 1 . GLN 15 15 19372 1 . ASP 16 16 19372 1 . VAL 17 17 19372 1 . VAL 18 18 19372 1 . LYS 19 19 19372 1 . ALA 20 20 19372 1 . PHE 21 21 19372 1 . PHE 22 22 19372 1 . GLU 23 23 19372 1 . LEU 24 24 19372 1 . LEU 25 25 19372 1 . LYS 26 26 19372 1 . LYS 27 27 19372 1 . ASP 28 28 19372 1 . GLU 29 29 19372 1 . THR 30 30 19372 1 . LYS 31 31 19372 1 . THR 32 32 19372 1 . ASP 33 33 19372 1 . PRO 34 34 19372 1 . GLU 35 35 19372 1 . ILE 36 36 19372 1 . GLU 37 37 19372 1 . LYS 38 38 19372 1 . ASP 39 39 19372 1 . LEU 40 40 19372 1 . ASP 41 41 19372 1 . ALA 42 42 19372 1 . TRP 43 43 19372 1 . VAL 44 44 19372 1 . ASP 45 45 19372 1 . THR 46 46 19372 1 . LEU 47 47 19372 1 . GLY 48 48 19372 1 . GLY 49 49 19372 1 . ASP 50 50 19372 1 . TYR 51 51 19372 1 . LYS 52 52 19372 1 . ALA 53 53 19372 1 . LYS 54 54 19372 1 . PHE 55 55 19372 1 . GLU 56 56 19372 1 . THR 57 57 19372 1 . PHE 58 58 19372 1 . LYS 59 59 19372 1 . LYS 60 60 19372 1 . GLU 61 61 19372 1 . MET 62 62 19372 1 . LYS 63 63 19372 1 . ALA 64 64 19372 1 . LYS 65 65 19372 1 . GLU 66 66 19372 1 . ALA 67 67 19372 1 . GLU 68 68 19372 1 . LEU 69 69 19372 1 . ALA 70 70 19372 1 . LYS 71 71 19372 1 . ALA 72 72 19372 1 . HIS 73 73 19372 1 . GLU 74 74 19372 1 . GLU 75 75 19372 1 . ALA 76 76 19372 1 . VAL 77 77 19372 1 . ALA 78 78 19372 1 . LYS 79 79 19372 1 . MET 80 80 19372 1 . THR 81 81 19372 1 . PRO 82 82 19372 1 . GLU 83 83 19372 1 . ALA 84 84 19372 1 . LYS 85 85 19372 1 . LYS 86 86 19372 1 . ALA 87 87 19372 1 . ASP 88 88 19372 1 . ALA 89 89 19372 1 . GLU 90 90 19372 1 . LEU 91 91 19372 1 . SER 92 92 19372 1 . LYS 93 93 19372 1 . ILE 94 94 19372 1 . ALA 95 95 19372 1 . GLU 96 96 19372 1 . ASP 97 97 19372 1 . ASP 98 98 19372 1 . SER 99 99 19372 1 . LEU 100 100 19372 1 . ASN 101 101 19372 1 . GLY 102 102 19372 1 . ILE 103 103 19372 1 . GLN 104 104 19372 1 . LYS 105 105 19372 1 . ALA 106 106 19372 1 . GLN 107 107 19372 1 . LYS 108 108 19372 1 . ILE 109 109 19372 1 . GLN 110 110 19372 1 . ALA 111 111 19372 1 . ILE 112 112 19372 1 . TYR 113 113 19372 1 . LYS 114 114 19372 1 . THR 115 115 19372 1 . LEU 116 116 19372 1 . PRO 117 117 19372 1 . GLN 118 118 19372 1 . SER 119 119 19372 1 . VAL 120 120 19372 1 . LYS 121 121 19372 1 . ASP 122 122 19372 1 . GLU 123 123 19372 1 . LEU 124 124 19372 1 . GLU 125 125 19372 1 . LYS 126 126 19372 1 . GLY 127 127 19372 1 . ILE 128 128 19372 1 . GLY 129 129 19372 1 . PRO 130 130 19372 1 . ALA 131 131 19372 1 . VAL 132 132 19372 1 . PRO 133 133 19372 1 . GLN 134 134 19372 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 19372 _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 . 6269 organism . 'Anisakis simplex' 'Herring worm' . . Eukaryota Metazoa Anisakis simplex . . . . . . . . . . . . . . . . . . . . . 19372 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 19372 _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' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . 'pET46 EK/LIC' . . . . . . 19372 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19372 _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 'Ani s 5' '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 19372 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19372 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19372 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 19372 _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 pH 3.5 . pH 19372 1 pressure 1 . atm 19372 1 temperature 298 . K 19372 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19372 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19372 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19372 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19372 _Software.ID 2 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19372 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19372 2 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 19372 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19372 _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 . 800 . . . 19372 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 19372 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 5 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 7 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 9 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 10 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 12 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19372 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19372 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19372 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19372 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19372 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19372 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 19372 _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 3 '3D HNCO' 1 $sample_1 . 19372 1 4 '3D HNCA' 1 $sample_1 . 19372 1 5 '3D HN(CO)CA' 1 $sample_1 . 19372 1 6 '3D CBCA(CO)NH' 1 $sample_1 . 19372 1 7 '3D HNCACB' 1 $sample_1 . 19372 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.556 0.000 . 1 . . . A 1 ASP HA . 19372 1 2 . 1 1 1 1 ASP H H 1 8.586 0.005 . 1 . . . A 1 ASP H1 . 19372 1 3 . 1 1 1 1 ASP N N 15 116.260 0.044 . 1 . . . A 1 ASP N . 19372 1 4 . 1 1 2 2 ASP H H 1 8.195 0.004 . 1 . . . A 2 ASP H . 19372 1 5 . 1 1 2 2 ASP HA H 1 4.560 0.007 . 1 . . . A 2 ASP HA . 19372 1 6 . 1 1 2 2 ASP HB2 H 1 2.636 0.024 . 2 . . . A 2 ASP HB2 . 19372 1 7 . 1 1 2 2 ASP HB3 H 1 2.636 0.024 . 2 . . . A 2 ASP HB3 . 19372 1 8 . 1 1 2 2 ASP CA C 13 53.200 0.000 . 1 . . . A 2 ASP CA . 19372 1 9 . 1 1 2 2 ASP CB C 13 39.400 0.000 . 1 . . . A 2 ASP CB . 19372 1 10 . 1 1 3 3 THR H H 1 7.870 0.008 . 1 . . . A 3 THR H . 19372 1 11 . 1 1 3 3 THR HA H 1 4.304 0.005 . 1 . . . A 3 THR HA . 19372 1 12 . 1 1 3 3 THR HB H 1 3.831 0.006 . 1 . . . A 3 THR HB . 19372 1 13 . 1 1 3 3 THR HG21 H 1 1.049 0.005 . 1 . . . A 3 THR HG21 . 19372 1 14 . 1 1 3 3 THR HG22 H 1 1.049 0.005 . 1 . . . A 3 THR HG22 . 19372 1 15 . 1 1 3 3 THR HG23 H 1 1.049 0.005 . 1 . . . A 3 THR HG23 . 19372 1 16 . 1 1 3 3 THR CA C 13 59.975 0.017 . 1 . . . A 3 THR CA . 19372 1 17 . 1 1 3 3 THR CB C 13 69.280 0.159 . 1 . . . A 3 THR CB . 19372 1 18 . 1 1 3 3 THR CG2 C 13 21.389 0.016 . 1 . . . A 3 THR CG2 . 19372 1 19 . 1 1 3 3 THR N N 15 116.354 0.031 . 1 . . . A 3 THR N . 19372 1 20 . 1 1 4 4 PRO HA H 1 4.481 0.005 . 1 . . . A 4 PRO HA . 19372 1 21 . 1 1 4 4 PRO HB2 H 1 1.504 0.000 . 2 . . . A 4 PRO HB2 . 19372 1 22 . 1 1 4 4 PRO HB3 H 1 2.088 0.000 . 2 . . . A 4 PRO HB3 . 19372 1 23 . 1 1 4 4 PRO HG2 H 1 1.535 0.007 . 1 . . . A 4 PRO HG2 . 19372 1 24 . 1 1 4 4 PRO HG3 H 1 1.361 0.000 . 1 . . . A 4 PRO HG3 . 19372 1 25 . 1 1 4 4 PRO HD2 H 1 2.662 0.005 . 2 . . . A 4 PRO HD2 . 19372 1 26 . 1 1 4 4 PRO HD3 H 1 3.451 0.005 . 2 . . . A 4 PRO HD3 . 19372 1 27 . 1 1 4 4 PRO CA C 13 61.363 0.019 . 1 . . . A 4 PRO CA . 19372 1 28 . 1 1 4 4 PRO CB C 13 29.998 0.030 . 1 . . . A 4 PRO CB . 19372 1 29 . 1 1 4 4 PRO CG C 13 26.957 0.025 . 1 . . . A 4 PRO CG . 19372 1 30 . 1 1 4 4 PRO CD C 13 50.523 0.018 . 1 . . . A 4 PRO CD . 19372 1 31 . 1 1 8 8 PRO HA H 1 4.116 0.004 . 1 . . . A 8 PRO HA . 19372 1 32 . 1 1 8 8 PRO HB2 H 1 1.860 0.008 . 2 . . . A 8 PRO HB2 . 19372 1 33 . 1 1 8 8 PRO HB3 H 1 2.350 0.005 . 2 . . . A 8 PRO HB3 . 19372 1 34 . 1 1 8 8 PRO HG2 H 1 2.099 0.006 . 2 . . . A 8 PRO HG2 . 19372 1 35 . 1 1 8 8 PRO HG3 H 1 2.099 0.006 . 2 . . . A 8 PRO HG3 . 19372 1 36 . 1 1 8 8 PRO HD2 H 1 3.351 0.007 . 2 . . . A 8 PRO HD2 . 19372 1 37 . 1 1 8 8 PRO HD3 H 1 3.792 0.004 . 2 . . . A 8 PRO HD3 . 19372 1 38 . 1 1 8 8 PRO CA C 13 65.392 0.048 . 1 . . . A 8 PRO CA . 19372 1 39 . 1 1 8 8 PRO CB C 13 31.976 0.046 . 1 . . . A 8 PRO CB . 19372 1 40 . 1 1 8 8 PRO CG C 13 27.898 0.026 . 1 . . . A 8 PRO CG . 19372 1 41 . 1 1 8 8 PRO CD C 13 50.262 0.042 . 1 . . . A 8 PRO CD . 19372 1 42 . 1 1 9 9 PHE H H 1 6.203 0.005 . 1 . . . A 9 PHE H . 19372 1 43 . 1 1 9 9 PHE HA H 1 4.486 0.007 . 1 . . . A 9 PHE HA . 19372 1 44 . 1 1 9 9 PHE HB2 H 1 2.711 0.014 . 2 . . . A 9 PHE HB2 . 19372 1 45 . 1 1 9 9 PHE HB3 H 1 3.269 0.006 . 2 . . . A 9 PHE HB3 . 19372 1 46 . 1 1 9 9 PHE HD1 H 1 6.581 0.004 . 1 . . . A 9 PHE HD1 . 19372 1 47 . 1 1 9 9 PHE HD2 H 1 6.581 0.004 . 1 . . . A 9 PHE HD2 . 19372 1 48 . 1 1 9 9 PHE HE1 H 1 7.101 0.000 . 1 . . . A 9 PHE HE1 . 19372 1 49 . 1 1 9 9 PHE HE2 H 1 7.101 0.000 . 1 . . . A 9 PHE HE2 . 19372 1 50 . 1 1 9 9 PHE CA C 13 57.754 0.035 . 1 . . . A 9 PHE CA . 19372 1 51 . 1 1 9 9 PHE CB C 13 37.396 0.030 . 1 . . . A 9 PHE CB . 19372 1 52 . 1 1 9 9 PHE CD1 C 13 132.536 0.000 . 3 . . . A 9 PHE CD1 . 19372 1 53 . 1 1 9 9 PHE CD2 C 13 132.536 0.000 . 3 . . . A 9 PHE CD2 . 19372 1 54 . 1 1 9 9 PHE N N 15 109.414 0.052 . 1 . . . A 9 PHE N . 19372 1 55 . 1 1 10 10 LEU H H 1 6.980 0.007 . 1 . . . A 10 LEU H . 19372 1 56 . 1 1 10 10 LEU HA H 1 4.295 0.007 . 1 . . . A 10 LEU HA . 19372 1 57 . 1 1 10 10 LEU HB2 H 1 0.692 0.007 . 2 . . . A 10 LEU HB2 . 19372 1 58 . 1 1 10 10 LEU HB3 H 1 1.341 0.006 . 2 . . . A 10 LEU HB3 . 19372 1 59 . 1 1 10 10 LEU HD11 H 1 0.071 0.005 . 2 . . . A 10 LEU HD11 . 19372 1 60 . 1 1 10 10 LEU HD12 H 1 0.071 0.005 . 2 . . . A 10 LEU HD12 . 19372 1 61 . 1 1 10 10 LEU HD13 H 1 0.071 0.005 . 2 . . . A 10 LEU HD13 . 19372 1 62 . 1 1 10 10 LEU HD21 H 1 0.361 0.003 . 2 . . . A 10 LEU HD21 . 19372 1 63 . 1 1 10 10 LEU HD22 H 1 0.361 0.003 . 2 . . . A 10 LEU HD22 . 19372 1 64 . 1 1 10 10 LEU HD23 H 1 0.361 0.003 . 2 . . . A 10 LEU HD23 . 19372 1 65 . 1 1 10 10 LEU CA C 13 52.749 0.034 . 1 . . . A 10 LEU CA . 19372 1 66 . 1 1 10 10 LEU CB C 13 42.361 0.002 . 1 . . . A 10 LEU CB . 19372 1 67 . 1 1 10 10 LEU CD1 C 13 25.697 0.057 . 2 . . . A 10 LEU CD1 . 19372 1 68 . 1 1 10 10 LEU CD2 C 13 22.605 0.065 . 2 . . . A 10 LEU CD2 . 19372 1 69 . 1 1 10 10 LEU N N 15 117.913 0.028 . 1 . . . A 10 LEU N . 19372 1 70 . 1 1 11 11 ALA H H 1 6.998 0.002 . 1 . . . A 11 ALA H . 19372 1 71 . 1 1 11 11 ALA HA H 1 3.865 0.008 . 1 . . . A 11 ALA HA . 19372 1 72 . 1 1 11 11 ALA HB1 H 1 1.293 0.005 . 1 . . . A 11 ALA HB1 . 19372 1 73 . 1 1 11 11 ALA HB2 H 1 1.293 0.005 . 1 . . . A 11 ALA HB2 . 19372 1 74 . 1 1 11 11 ALA HB3 H 1 1.293 0.005 . 1 . . . A 11 ALA HB3 . 19372 1 75 . 1 1 11 11 ALA CA C 13 54.417 0.018 . 1 . . . A 11 ALA CA . 19372 1 76 . 1 1 11 11 ALA CB C 13 17.938 0.000 . 1 . . . A 11 ALA CB . 19372 1 77 . 1 1 11 11 ALA N N 15 123.765 0.041 . 1 . . . A 11 ALA N . 19372 1 78 . 1 1 12 12 GLY H H 1 8.746 0.005 . 1 . . . A 12 GLY H . 19372 1 79 . 1 1 12 12 GLY HA2 H 1 3.672 0.010 . 2 . . . A 12 GLY HA2 . 19372 1 80 . 1 1 12 12 GLY HA3 H 1 4.036 0.005 . 2 . . . A 12 GLY HA3 . 19372 1 81 . 1 1 12 12 GLY CA C 13 45.234 0.046 . 1 . . . A 12 GLY CA . 19372 1 82 . 1 1 12 12 GLY N N 15 112.408 0.037 . 1 . . . A 12 GLY N . 19372 1 83 . 1 1 13 13 ALA H H 1 7.904 0.005 . 1 . . . A 13 ALA H . 19372 1 84 . 1 1 13 13 ALA HA H 1 4.579 0.011 . 1 . . . A 13 ALA HA . 19372 1 85 . 1 1 13 13 ALA HB1 H 1 1.202 0.012 . 1 . . . A 13 ALA HB1 . 19372 1 86 . 1 1 13 13 ALA HB2 H 1 1.202 0.012 . 1 . . . A 13 ALA HB2 . 19372 1 87 . 1 1 13 13 ALA HB3 H 1 1.202 0.012 . 1 . . . A 13 ALA HB3 . 19372 1 88 . 1 1 13 13 ALA CA C 13 50.797 0.003 . 1 . . . A 13 ALA CA . 19372 1 89 . 1 1 13 13 ALA CB C 13 18.003 0.041 . 1 . . . A 13 ALA CB . 19372 1 90 . 1 1 13 13 ALA N N 15 123.861 0.032 . 1 . . . A 13 ALA N . 19372 1 91 . 1 1 14 14 PRO HA H 1 4.487 0.004 . 1 . . . A 14 PRO HA . 19372 1 92 . 1 1 14 14 PRO HB2 H 1 2.035 0.007 . 2 . . . A 14 PRO HB2 . 19372 1 93 . 1 1 14 14 PRO HB3 H 1 2.435 0.005 . 2 . . . A 14 PRO HB3 . 19372 1 94 . 1 1 14 14 PRO HG2 H 1 1.984 0.000 . 2 . . . A 14 PRO HG2 . 19372 1 95 . 1 1 14 14 PRO HG3 H 1 2.090 0.004 . 2 . . . A 14 PRO HG3 . 19372 1 96 . 1 1 14 14 PRO HD2 H 1 3.388 0.004 . 1 . . . A 14 PRO HD2 . 19372 1 97 . 1 1 14 14 PRO HD3 H 1 3.882 0.009 . 1 . . . A 14 PRO HD3 . 19372 1 98 . 1 1 14 14 PRO CA C 13 62.432 0.052 . 1 . . . A 14 PRO CA . 19372 1 99 . 1 1 14 14 PRO CB C 13 32.436 0.080 . 1 . . . A 14 PRO CB . 19372 1 100 . 1 1 14 14 PRO CG C 13 27.573 0.061 . 1 . . . A 14 PRO CG . 19372 1 101 . 1 1 14 14 PRO CD C 13 50.518 0.018 . 1 . . . A 14 PRO CD . 19372 1 102 . 1 1 15 15 GLN H H 1 8.878 0.010 . 1 . . . A 15 GLN H . 19372 1 103 . 1 1 15 15 GLN HA H 1 3.934 0.010 . 1 . . . A 15 GLN HA . 19372 1 104 . 1 1 15 15 GLN HB2 H 1 2.019 0.009 . 2 . . . A 15 GLN HB2 . 19372 1 105 . 1 1 15 15 GLN HB3 H 1 2.095 0.002 . 2 . . . A 15 GLN HB3 . 19372 1 106 . 1 1 15 15 GLN HG2 H 1 2.425 0.005 . 1 . . . A 15 GLN HG2 . 19372 1 107 . 1 1 15 15 GLN HG3 H 1 2.425 0.005 . 1 . . . A 15 GLN HG3 . 19372 1 108 . 1 1 15 15 GLN HE21 H 1 6.845 0.003 . 2 . . . A 15 GLN HE21 . 19372 1 109 . 1 1 15 15 GLN HE22 H 1 7.539 0.010 . 2 . . . A 15 GLN HE22 . 19372 1 110 . 1 1 15 15 GLN CA C 13 59.199 0.001 . 1 . . . A 15 GLN CA . 19372 1 111 . 1 1 15 15 GLN CB C 13 28.505 0.000 . 1 . . . A 15 GLN CB . 19372 1 112 . 1 1 15 15 GLN CG C 13 33.880 0.036 . 1 . . . A 15 GLN CG . 19372 1 113 . 1 1 15 15 GLN N N 15 121.929 0.008 . 1 . . . A 15 GLN N . 19372 1 114 . 1 1 15 15 GLN NE2 N 15 112.002 0.020 . 1 . . . A 15 GLN NE2 . 19372 1 115 . 1 1 16 16 ASP H H 1 8.952 0.006 . 1 . . . A 16 ASP H . 19372 1 116 . 1 1 16 16 ASP HA H 1 4.284 0.006 . 1 . . . A 16 ASP HA . 19372 1 117 . 1 1 16 16 ASP HB2 H 1 2.652 0.013 . 2 . . . A 16 ASP HB2 . 19372 1 118 . 1 1 16 16 ASP HB3 H 1 2.736 0.007 . 2 . . . A 16 ASP HB3 . 19372 1 119 . 1 1 16 16 ASP CA C 13 56.587 0.019 . 1 . . . A 16 ASP CA . 19372 1 120 . 1 1 16 16 ASP CB C 13 38.294 0.020 . 1 . . . A 16 ASP CB . 19372 1 121 . 1 1 16 16 ASP N N 15 115.696 0.043 . 1 . . . A 16 ASP N . 19372 1 122 . 1 1 17 17 VAL H H 1 7.339 0.003 . 1 . . . A 17 VAL H . 19372 1 123 . 1 1 17 17 VAL HA H 1 3.876 0.009 . 1 . . . A 17 VAL HA . 19372 1 124 . 1 1 17 17 VAL HB H 1 2.115 0.005 . 1 . . . A 17 VAL HB . 19372 1 125 . 1 1 17 17 VAL HG11 H 1 0.726 0.009 . 1 . . . A 17 VAL HG11 . 19372 1 126 . 1 1 17 17 VAL HG12 H 1 0.726 0.009 . 1 . . . A 17 VAL HG12 . 19372 1 127 . 1 1 17 17 VAL HG13 H 1 0.726 0.009 . 1 . . . A 17 VAL HG13 . 19372 1 128 . 1 1 17 17 VAL HG21 H 1 0.906 0.005 . 1 . . . A 17 VAL HG21 . 19372 1 129 . 1 1 17 17 VAL HG22 H 1 0.906 0.005 . 1 . . . A 17 VAL HG22 . 19372 1 130 . 1 1 17 17 VAL HG23 H 1 0.906 0.005 . 1 . . . A 17 VAL HG23 . 19372 1 131 . 1 1 17 17 VAL CA C 13 65.943 0.057 . 1 . . . A 17 VAL CA . 19372 1 132 . 1 1 17 17 VAL CB C 13 31.636 0.074 . 1 . . . A 17 VAL CB . 19372 1 133 . 1 1 17 17 VAL CG1 C 13 22.342 0.053 . 2 . . . A 17 VAL CG1 . 19372 1 134 . 1 1 17 17 VAL CG2 C 13 22.342 0.053 . 2 . . . A 17 VAL CG2 . 19372 1 135 . 1 1 17 17 VAL N N 15 123.529 0.031 . 1 . . . A 17 VAL N . 19372 1 136 . 1 1 18 18 VAL H H 1 7.319 0.010 . 1 . . . A 18 VAL H . 19372 1 137 . 1 1 18 18 VAL HA H 1 3.311 0.007 . 1 . . . A 18 VAL HA . 19372 1 138 . 1 1 18 18 VAL HB H 1 2.105 0.009 . 1 . . . A 18 VAL HB . 19372 1 139 . 1 1 18 18 VAL HG11 H 1 1.034 0.004 . 2 . . . A 18 VAL HG11 . 19372 1 140 . 1 1 18 18 VAL HG12 H 1 1.034 0.004 . 2 . . . A 18 VAL HG12 . 19372 1 141 . 1 1 18 18 VAL HG13 H 1 1.034 0.004 . 2 . . . A 18 VAL HG13 . 19372 1 142 . 1 1 18 18 VAL HG21 H 1 0.885 0.011 . 2 . . . A 18 VAL HG21 . 19372 1 143 . 1 1 18 18 VAL HG22 H 1 0.885 0.011 . 2 . . . A 18 VAL HG22 . 19372 1 144 . 1 1 18 18 VAL HG23 H 1 0.885 0.011 . 2 . . . A 18 VAL HG23 . 19372 1 145 . 1 1 18 18 VAL CA C 13 67.455 0.025 . 1 . . . A 18 VAL CA . 19372 1 146 . 1 1 18 18 VAL CB C 13 31.677 0.065 . 1 . . . A 18 VAL CB . 19372 1 147 . 1 1 18 18 VAL CG1 C 13 22.764 0.064 . 1 . . . A 18 VAL CG1 . 19372 1 148 . 1 1 18 18 VAL CG2 C 13 22.764 0.064 . 1 . . . A 18 VAL CG2 . 19372 1 149 . 1 1 18 18 VAL N N 15 119.813 0.034 . 1 . . . A 18 VAL N . 19372 1 150 . 1 1 19 19 LYS H H 1 8.527 0.006 . 1 . . . A 19 LYS H . 19372 1 151 . 1 1 19 19 LYS HA H 1 4.031 0.011 . 1 . . . A 19 LYS HA . 19372 1 152 . 1 1 19 19 LYS HB2 H 1 1.811 0.002 . 2 . . . A 19 LYS HB2 . 19372 1 153 . 1 1 19 19 LYS HB3 H 1 1.811 0.002 . 2 . . . A 19 LYS HB3 . 19372 1 154 . 1 1 19 19 LYS HG2 H 1 1.332 0.001 . 1 . . . A 19 LYS HG2 . 19372 1 155 . 1 1 19 19 LYS HG3 H 1 1.407 0.004 . 1 . . . A 19 LYS HG3 . 19372 1 156 . 1 1 19 19 LYS HD2 H 1 1.595 0.000 . 2 . . . A 19 LYS HD2 . 19372 1 157 . 1 1 19 19 LYS HD3 H 1 1.595 0.000 . 2 . . . A 19 LYS HD3 . 19372 1 158 . 1 1 19 19 LYS HE2 H 1 2.869 0.000 . 2 . . . A 19 LYS HE2 . 19372 1 159 . 1 1 19 19 LYS HE3 H 1 2.869 0.000 . 2 . . . A 19 LYS HE3 . 19372 1 160 . 1 1 19 19 LYS CA C 13 59.735 0.024 . 1 . . . A 19 LYS CA . 19372 1 161 . 1 1 19 19 LYS CB C 13 32.444 0.068 . 1 . . . A 19 LYS CB . 19372 1 162 . 1 1 19 19 LYS CG C 13 25.418 0.098 . 1 . . . A 19 LYS CG . 19372 1 163 . 1 1 19 19 LYS CD C 13 29.211 0.093 . 1 . . . A 19 LYS CD . 19372 1 164 . 1 1 19 19 LYS CE C 13 42.018 0.030 . 1 . . . A 19 LYS CE . 19372 1 165 . 1 1 19 19 LYS N N 15 117.257 0.041 . 1 . . . A 19 LYS N . 19372 1 166 . 1 1 20 20 ALA H H 1 7.436 0.002 . 1 . . . A 20 ALA H . 19372 1 167 . 1 1 20 20 ALA HA H 1 3.961 0.009 . 1 . . . A 20 ALA HA . 19372 1 168 . 1 1 20 20 ALA HB1 H 1 1.628 0.006 . 1 . . . A 20 ALA HB1 . 19372 1 169 . 1 1 20 20 ALA HB2 H 1 1.628 0.006 . 1 . . . A 20 ALA HB2 . 19372 1 170 . 1 1 20 20 ALA HB3 H 1 1.628 0.006 . 1 . . . A 20 ALA HB3 . 19372 1 171 . 1 1 20 20 ALA CA C 13 55.018 0.025 . 1 . . . A 20 ALA CA . 19372 1 172 . 1 1 20 20 ALA CB C 13 18.176 0.000 . 1 . . . A 20 ALA CB . 19372 1 173 . 1 1 20 20 ALA N N 15 120.943 0.021 . 1 . . . A 20 ALA N . 19372 1 174 . 1 1 21 21 PHE H H 1 7.709 0.011 . 1 . . . A 21 PHE H . 19372 1 175 . 1 1 21 21 PHE HA H 1 2.814 0.006 . 1 . . . A 21 PHE HA . 19372 1 176 . 1 1 21 21 PHE HB2 H 1 2.845 0.012 . 2 . . . A 21 PHE HB2 . 19372 1 177 . 1 1 21 21 PHE HB3 H 1 2.908 0.006 . 2 . . . A 21 PHE HB3 . 19372 1 178 . 1 1 21 21 PHE HD1 H 1 6.017 0.005 . 3 . . . A 21 PHE HD1 . 19372 1 179 . 1 1 21 21 PHE HD2 H 1 6.017 0.005 . 3 . . . A 21 PHE HD2 . 19372 1 180 . 1 1 21 21 PHE HE1 H 1 6.828 0.012 . 3 . . . A 21 PHE HE1 . 19372 1 181 . 1 1 21 21 PHE HE2 H 1 6.828 0.012 . 3 . . . A 21 PHE HE2 . 19372 1 182 . 1 1 21 21 PHE CA C 13 60.563 0.016 . 1 . . . A 21 PHE CA . 19372 1 183 . 1 1 21 21 PHE CB C 13 37.747 0.026 . 1 . . . A 21 PHE CB . 19372 1 184 . 1 1 21 21 PHE CD1 C 13 131.492 0.000 . 3 . . . A 21 PHE CD1 . 19372 1 185 . 1 1 21 21 PHE CD2 C 13 131.492 0.000 . 3 . . . A 21 PHE CD2 . 19372 1 186 . 1 1 21 21 PHE N N 15 121.447 0.037 . 1 . . . A 21 PHE N . 19372 1 187 . 1 1 22 22 PHE H H 1 7.500 0.006 . 1 . . . A 22 PHE H . 19372 1 188 . 1 1 22 22 PHE HA H 1 3.760 0.006 . 1 . . . A 22 PHE HA . 19372 1 189 . 1 1 22 22 PHE HB2 H 1 2.790 0.009 . 1 . . . A 22 PHE HB2 . 19372 1 190 . 1 1 22 22 PHE HB3 H 1 3.070 0.006 . 1 . . . A 22 PHE HB3 . 19372 1 191 . 1 1 22 22 PHE HD1 H 1 7.270 0.008 . 3 . . . A 22 PHE HD1 . 19372 1 192 . 1 1 22 22 PHE HD2 H 1 7.270 0.008 . 3 . . . A 22 PHE HD2 . 19372 1 193 . 1 1 22 22 PHE CA C 13 62.463 0.032 . 1 . . . A 22 PHE CA . 19372 1 194 . 1 1 22 22 PHE CB C 13 38.280 0.025 . 1 . . . A 22 PHE CB . 19372 1 195 . 1 1 22 22 PHE CD1 C 13 133.722 0.000 . 3 . . . A 22 PHE CD1 . 19372 1 196 . 1 1 22 22 PHE CD2 C 13 133.722 0.000 . 3 . . . A 22 PHE CD2 . 19372 1 197 . 1 1 22 22 PHE N N 15 115.993 0.061 . 1 . . . A 22 PHE N . 19372 1 198 . 1 1 23 23 GLU H H 1 8.306 0.007 . 1 . . . A 23 GLU H . 19372 1 199 . 1 1 23 23 GLU HA H 1 3.940 0.004 . 1 . . . A 23 GLU HA . 19372 1 200 . 1 1 23 23 GLU HB2 H 1 1.901 0.001 . 2 . . . A 23 GLU HB2 . 19372 1 201 . 1 1 23 23 GLU HB3 H 1 1.998 0.000 . 2 . . . A 23 GLU HB3 . 19372 1 202 . 1 1 23 23 GLU HG2 H 1 2.353 0.000 . 2 . . . A 23 GLU HG2 . 19372 1 203 . 1 1 23 23 GLU HG3 H 1 1.353 0.000 . 2 . . . A 23 GLU HG3 . 19372 1 204 . 1 1 23 23 GLU CA C 13 58.700 0.000 . 1 . . . A 23 GLU CA . 19372 1 205 . 1 1 23 23 GLU CB C 13 28.070 0.060 . 1 . . . A 23 GLU CB . 19372 1 206 . 1 1 23 23 GLU CG C 13 34.013 0.117 . 1 . . . A 23 GLU CG . 19372 1 207 . 1 1 23 23 GLU N N 15 120.666 0.054 . 1 . . . A 23 GLU N . 19372 1 208 . 1 1 24 24 LEU H H 1 7.479 0.008 . 1 . . . A 24 LEU H . 19372 1 209 . 1 1 24 24 LEU HA H 1 3.725 0.010 . 1 . . . A 24 LEU HA . 19372 1 210 . 1 1 24 24 LEU HB2 H 1 0.959 0.004 . 2 . . . A 24 LEU HB2 . 19372 1 211 . 1 1 24 24 LEU HB3 H 1 1.290 0.004 . 2 . . . A 24 LEU HB3 . 19372 1 212 . 1 1 24 24 LEU HG H 1 2.353 0.001 . 1 . . . A 24 LEU HG . 19372 1 213 . 1 1 24 24 LEU HD11 H 1 0.473 0.002 . 2 . . . A 24 LEU HD11 . 19372 1 214 . 1 1 24 24 LEU HD12 H 1 0.473 0.002 . 2 . . . A 24 LEU HD12 . 19372 1 215 . 1 1 24 24 LEU HD13 H 1 0.473 0.002 . 2 . . . A 24 LEU HD13 . 19372 1 216 . 1 1 24 24 LEU HD21 H 1 0.396 0.002 . 2 . . . A 24 LEU HD21 . 19372 1 217 . 1 1 24 24 LEU HD22 H 1 0.396 0.002 . 2 . . . A 24 LEU HD22 . 19372 1 218 . 1 1 24 24 LEU HD23 H 1 0.396 0.002 . 2 . . . A 24 LEU HD23 . 19372 1 219 . 1 1 24 24 LEU CA C 13 58.092 0.023 . 1 . . . A 24 LEU CA . 19372 1 220 . 1 1 24 24 LEU CB C 13 40.996 0.007 . 1 . . . A 24 LEU CB . 19372 1 221 . 1 1 24 24 LEU CG C 13 26.957 0.038 . 1 . . . A 24 LEU CG . 19372 1 222 . 1 1 24 24 LEU CD1 C 13 24.497 0.048 . 2 . . . A 24 LEU CD1 . 19372 1 223 . 1 1 24 24 LEU CD2 C 13 25.639 0.000 . 2 . . . A 24 LEU CD2 . 19372 1 224 . 1 1 24 24 LEU N N 15 124.143 0.038 . 1 . . . A 24 LEU N . 19372 1 225 . 1 1 25 25 LEU H H 1 7.347 0.005 . 1 . . . A 25 LEU H . 19372 1 226 . 1 1 25 25 LEU HA H 1 3.522 0.012 . 1 . . . A 25 LEU HA . 19372 1 227 . 1 1 25 25 LEU HB2 H 1 1.207 0.011 . 2 . . . A 25 LEU HB2 . 19372 1 228 . 1 1 25 25 LEU HB3 H 1 1.361 0.012 . 2 . . . A 25 LEU HB3 . 19372 1 229 . 1 1 25 25 LEU HG H 1 0.968 0.015 . 1 . . . A 25 LEU HG . 19372 1 230 . 1 1 25 25 LEU HD11 H 1 0.427 0.005 . 2 . . . A 25 LEU HD11 . 19372 1 231 . 1 1 25 25 LEU HD12 H 1 0.427 0.005 . 2 . . . A 25 LEU HD12 . 19372 1 232 . 1 1 25 25 LEU HD13 H 1 0.427 0.005 . 2 . . . A 25 LEU HD13 . 19372 1 233 . 1 1 25 25 LEU HD21 H 1 0.441 0.003 . 2 . . . A 25 LEU HD21 . 19372 1 234 . 1 1 25 25 LEU HD22 H 1 0.441 0.003 . 2 . . . A 25 LEU HD22 . 19372 1 235 . 1 1 25 25 LEU HD23 H 1 0.441 0.003 . 2 . . . A 25 LEU HD23 . 19372 1 236 . 1 1 25 25 LEU CA C 13 57.826 0.015 . 1 . . . A 25 LEU CA . 19372 1 237 . 1 1 25 25 LEU CB C 13 41.024 0.034 . 1 . . . A 25 LEU CB . 19372 1 238 . 1 1 25 25 LEU CG C 13 25.793 0.261 . 1 . . . A 25 LEU CG . 19372 1 239 . 1 1 25 25 LEU CD1 C 13 25.587 0.057 . 2 . . . A 25 LEU CD1 . 19372 1 240 . 1 1 25 25 LEU CD2 C 13 22.163 0.029 . 2 . . . A 25 LEU CD2 . 19372 1 241 . 1 1 25 25 LEU N N 15 116.878 0.059 . 1 . . . A 25 LEU N . 19372 1 242 . 1 1 26 26 LYS H H 1 7.528 0.007 . 1 . . . A 26 LYS H . 19372 1 243 . 1 1 26 26 LYS HA H 1 3.961 0.007 . 1 . . . A 26 LYS HA . 19372 1 244 . 1 1 26 26 LYS HB2 H 1 1.817 0.003 . 2 . . . A 26 LYS HB2 . 19372 1 245 . 1 1 26 26 LYS HB3 H 1 1.817 0.003 . 2 . . . A 26 LYS HB3 . 19372 1 246 . 1 1 26 26 LYS HG2 H 1 1.554 0.000 . 2 . . . A 26 LYS HG2 . 19372 1 247 . 1 1 26 26 LYS HG3 H 1 1.554 0.000 . 2 . . . A 26 LYS HG3 . 19372 1 248 . 1 1 26 26 LYS CA C 13 58.700 0.000 . 1 . . . A 26 LYS CA . 19372 1 249 . 1 1 26 26 LYS CB C 13 32.151 0.013 . 1 . . . A 26 LYS CB . 19372 1 250 . 1 1 26 26 LYS CG C 13 24.501 0.000 . 1 . . . A 26 LYS CG . 19372 1 251 . 1 1 26 26 LYS CD C 13 28.984 0.000 . 1 . . . A 26 LYS CD . 19372 1 252 . 1 1 26 26 LYS N N 15 118.460 0.038 . 1 . . . A 26 LYS N . 19372 1 253 . 1 1 27 27 LYS H H 1 8.122 0.004 . 1 . . . A 27 LYS H . 19372 1 254 . 1 1 27 27 LYS HA H 1 3.964 0.000 . 1 . . . A 27 LYS HA . 19372 1 255 . 1 1 27 27 LYS HB2 H 1 1.791 0.004 . 2 . . . A 27 LYS HB2 . 19372 1 256 . 1 1 27 27 LYS HB3 H 1 1.896 0.000 . 2 . . . A 27 LYS HB3 . 19372 1 257 . 1 1 27 27 LYS CA C 13 58.842 0.120 . 1 . . . A 27 LYS CA . 19372 1 258 . 1 1 27 27 LYS CB C 13 31.953 0.157 . 1 . . . A 27 LYS CB . 19372 1 259 . 1 1 27 27 LYS CG C 13 24.684 0.102 . 1 . . . A 27 LYS CG . 19372 1 260 . 1 1 27 27 LYS CD C 13 29.068 0.139 . 1 . . . A 27 LYS CD . 19372 1 261 . 1 1 27 27 LYS N N 15 121.136 0.039 . 1 . . . A 27 LYS N . 19372 1 262 . 1 1 28 28 ASP H H 1 7.786 0.006 . 1 . . . A 28 ASP H . 19372 1 263 . 1 1 28 28 ASP HA H 1 4.622 0.011 . 1 . . . A 28 ASP HA . 19372 1 264 . 1 1 28 28 ASP HB2 H 1 2.707 0.002 . 2 . . . A 28 ASP HB2 . 19372 1 265 . 1 1 28 28 ASP HB3 H 1 3.139 0.003 . 2 . . . A 28 ASP HB3 . 19372 1 266 . 1 1 28 28 ASP CA C 13 52.540 0.000 . 1 . . . A 28 ASP CA . 19372 1 267 . 1 1 28 28 ASP CB C 13 37.756 0.005 . 1 . . . A 28 ASP CB . 19372 1 268 . 1 1 28 28 ASP N N 15 116.768 0.044 . 1 . . . A 28 ASP N . 19372 1 269 . 1 1 29 29 GLU H H 1 7.231 0.002 . 1 . . . A 29 GLU H . 19372 1 270 . 1 1 29 29 GLU HA H 1 4.052 0.006 . 1 . . . A 29 GLU HA . 19372 1 271 . 1 1 29 29 GLU HB2 H 1 2.127 0.008 . 2 . . . A 29 GLU HB2 . 19372 1 272 . 1 1 29 29 GLU HB3 H 1 2.236 0.000 . 2 . . . A 29 GLU HB3 . 19372 1 273 . 1 1 29 29 GLU HG2 H 1 2.525 0.000 . 1 . . . A 29 GLU HG2 . 19372 1 274 . 1 1 29 29 GLU HG3 H 1 2.525 0.000 . 1 . . . A 29 GLU HG3 . 19372 1 275 . 1 1 29 29 GLU CA C 13 59.400 0.000 . 1 . . . A 29 GLU CA . 19372 1 276 . 1 1 29 29 GLU CB C 13 28.547 0.048 . 1 . . . A 29 GLU CB . 19372 1 277 . 1 1 29 29 GLU CG C 13 33.515 0.010 . 1 . . . A 29 GLU CG . 19372 1 278 . 1 1 29 29 GLU N N 15 119.405 0.044 . 1 . . . A 29 GLU N . 19372 1 279 . 1 1 30 30 THR H H 1 7.894 0.003 . 1 . . . A 30 THR H . 19372 1 280 . 1 1 30 30 THR HA H 1 4.421 0.000 . 1 . . . A 30 THR HA . 19372 1 281 . 1 1 30 30 THR HB H 1 4.583 0.008 . 1 . . . A 30 THR HB . 19372 1 282 . 1 1 30 30 THR HG21 H 1 1.417 0.006 . 1 . . . A 30 THR HG21 . 19372 1 283 . 1 1 30 30 THR HG22 H 1 1.417 0.006 . 1 . . . A 30 THR HG22 . 19372 1 284 . 1 1 30 30 THR HG23 H 1 1.417 0.006 . 1 . . . A 30 THR HG23 . 19372 1 285 . 1 1 30 30 THR CA C 13 61.089 0.000 . 1 . . . A 30 THR CA . 19372 1 286 . 1 1 30 30 THR CB C 13 68.781 0.060 . 1 . . . A 30 THR CB . 19372 1 287 . 1 1 30 30 THR CG2 C 13 21.680 0.036 . 1 . . . A 30 THR CG2 . 19372 1 288 . 1 1 30 30 THR N N 15 105.811 0.056 . 1 . . . A 30 THR N . 19372 1 289 . 1 1 31 31 LYS H H 1 7.650 0.005 . 1 . . . A 31 LYS H . 19372 1 290 . 1 1 31 31 LYS HA H 1 4.485 0.009 . 1 . . . A 31 LYS HA . 19372 1 291 . 1 1 31 31 LYS HB2 H 1 1.871 0.006 . 2 . . . A 31 LYS HB2 . 19372 1 292 . 1 1 31 31 LYS HB3 H 1 1.952 0.008 . 2 . . . A 31 LYS HB3 . 19372 1 293 . 1 1 31 31 LYS HD2 H 1 1.239 0.000 . 2 . . . A 31 LYS HD2 . 19372 1 294 . 1 1 31 31 LYS HD3 H 1 1.239 0.000 . 2 . . . A 31 LYS HD3 . 19372 1 295 . 1 1 31 31 LYS CA C 13 56.190 0.017 . 1 . . . A 31 LYS CA . 19372 1 296 . 1 1 31 31 LYS CB C 13 34.060 0.063 . 1 . . . A 31 LYS CB . 19372 1 297 . 1 1 31 31 LYS CG C 13 26.267 0.089 . 1 . . . A 31 LYS CG . 19372 1 298 . 1 1 31 31 LYS N N 15 122.194 0.034 . 1 . . . A 31 LYS N . 19372 1 299 . 1 1 32 32 THR H H 1 7.787 0.005 . 1 . . . A 32 THR H . 19372 1 300 . 1 1 32 32 THR HA H 1 4.233 0.014 . 1 . . . A 32 THR HA . 19372 1 301 . 1 1 32 32 THR HB H 1 4.451 0.005 . 1 . . . A 32 THR HB . 19372 1 302 . 1 1 32 32 THR HG21 H 1 1.132 0.007 . 1 . . . A 32 THR HG21 . 19372 1 303 . 1 1 32 32 THR HG22 H 1 1.132 0.007 . 1 . . . A 32 THR HG22 . 19372 1 304 . 1 1 32 32 THR HG23 H 1 1.132 0.007 . 1 . . . A 32 THR HG23 . 19372 1 305 . 1 1 32 32 THR CA C 13 60.798 0.024 . 1 . . . A 32 THR CA . 19372 1 306 . 1 1 32 32 THR CB C 13 70.446 0.029 . 1 . . . A 32 THR CB . 19372 1 307 . 1 1 32 32 THR CG2 C 13 21.851 0.061 . 1 . . . A 32 THR CG2 . 19372 1 308 . 1 1 32 32 THR N N 15 109.072 0.023 . 1 . . . A 32 THR N . 19372 1 309 . 1 1 33 33 ASP H H 1 9.280 0.006 . 1 . . . A 33 ASP H . 19372 1 310 . 1 1 33 33 ASP HA H 1 4.594 0.006 . 1 . . . A 33 ASP HA . 19372 1 311 . 1 1 33 33 ASP HB2 H 1 2.715 0.005 . 2 . . . A 33 ASP HB2 . 19372 1 312 . 1 1 33 33 ASP HB3 H 1 2.805 0.003 . 2 . . . A 33 ASP HB3 . 19372 1 313 . 1 1 33 33 ASP CA C 13 58.770 0.014 . 1 . . . A 33 ASP CA . 19372 1 314 . 1 1 33 33 ASP CB C 13 37.192 0.012 . 1 . . . A 33 ASP CB . 19372 1 315 . 1 1 33 33 ASP N N 15 120.385 0.064 . 1 . . . A 33 ASP N . 19372 1 316 . 1 1 34 34 PRO HA H 1 4.268 0.007 . 1 . . . A 34 PRO HA . 19372 1 317 . 1 1 34 34 PRO HB2 H 1 1.731 0.016 . 2 . . . A 34 PRO HB2 . 19372 1 318 . 1 1 34 34 PRO HB3 H 1 2.287 0.003 . 2 . . . A 34 PRO HB3 . 19372 1 319 . 1 1 34 34 PRO HG2 H 1 1.920 0.003 . 2 . . . A 34 PRO HG2 . 19372 1 320 . 1 1 34 34 PRO HG3 H 1 2.036 0.004 . 2 . . . A 34 PRO HG3 . 19372 1 321 . 1 1 34 34 PRO HD2 H 1 3.857 0.004 . 1 . . . A 34 PRO HD2 . 19372 1 322 . 1 1 34 34 PRO HD3 H 1 3.660 0.005 . 1 . . . A 34 PRO HD3 . 19372 1 323 . 1 1 34 34 PRO CA C 13 65.956 0.045 . 1 . . . A 34 PRO CA . 19372 1 324 . 1 1 34 34 PRO CB C 13 31.185 0.036 . 1 . . . A 34 PRO CB . 19372 1 325 . 1 1 34 34 PRO CG C 13 28.288 0.027 . 1 . . . A 34 PRO CG . 19372 1 326 . 1 1 34 34 PRO CD C 13 49.998 0.049 . 1 . . . A 34 PRO CD . 19372 1 327 . 1 1 35 35 GLU H H 1 7.019 0.007 . 1 . . . A 35 GLU H . 19372 1 328 . 1 1 35 35 GLU HA H 1 3.936 0.009 . 1 . . . A 35 GLU HA . 19372 1 329 . 1 1 35 35 GLU HB2 H 1 2.345 0.001 . 2 . . . A 35 GLU HB2 . 19372 1 330 . 1 1 35 35 GLU HB3 H 1 2.345 0.001 . 2 . . . A 35 GLU HB3 . 19372 1 331 . 1 1 35 35 GLU HG2 H 1 2.317 0.000 . 2 . . . A 35 GLU HG2 . 19372 1 332 . 1 1 35 35 GLU HG3 H 1 2.317 0.000 . 2 . . . A 35 GLU HG3 . 19372 1 333 . 1 1 35 35 GLU CA C 13 58.500 0.000 . 1 . . . A 35 GLU CA . 19372 1 334 . 1 1 35 35 GLU CB C 13 29.201 0.259 . 1 . . . A 35 GLU CB . 19372 1 335 . 1 1 35 35 GLU CG C 13 35.015 0.032 . 1 . . . A 35 GLU CG . 19372 1 336 . 1 1 35 35 GLU N N 15 116.576 0.037 . 1 . . . A 35 GLU N . 19372 1 337 . 1 1 36 36 ILE H H 1 8.369 0.004 . 1 . . . A 36 ILE H . 19372 1 338 . 1 1 36 36 ILE HA H 1 3.606 0.010 . 1 . . . A 36 ILE HA . 19372 1 339 . 1 1 36 36 ILE HB H 1 1.864 0.010 . 1 . . . A 36 ILE HB . 19372 1 340 . 1 1 36 36 ILE HG12 H 1 1.753 0.015 . 1 . . . A 36 ILE HG12 . 19372 1 341 . 1 1 36 36 ILE HG13 H 1 1.753 0.015 . 1 . . . A 36 ILE HG13 . 19372 1 342 . 1 1 36 36 ILE HG21 H 1 0.797 0.003 . 1 . . . A 36 ILE HG21 . 19372 1 343 . 1 1 36 36 ILE HG22 H 1 0.797 0.003 . 1 . . . A 36 ILE HG22 . 19372 1 344 . 1 1 36 36 ILE HG23 H 1 0.797 0.003 . 1 . . . A 36 ILE HG23 . 19372 1 345 . 1 1 36 36 ILE HD11 H 1 0.778 0.001 . 1 . . . A 36 ILE HD11 . 19372 1 346 . 1 1 36 36 ILE HD12 H 1 0.778 0.001 . 1 . . . A 36 ILE HD12 . 19372 1 347 . 1 1 36 36 ILE HD13 H 1 0.778 0.001 . 1 . . . A 36 ILE HD13 . 19372 1 348 . 1 1 36 36 ILE CA C 13 65.649 0.067 . 1 . . . A 36 ILE CA . 19372 1 349 . 1 1 36 36 ILE CB C 13 38.181 0.027 . 1 . . . A 36 ILE CB . 19372 1 350 . 1 1 36 36 ILE CG1 C 13 30.461 0.000 . 1 . . . A 36 ILE CG1 . 19372 1 351 . 1 1 36 36 ILE CG2 C 13 16.534 0.045 . 1 . . . A 36 ILE CG2 . 19372 1 352 . 1 1 36 36 ILE CD1 C 13 13.377 0.058 . 1 . . . A 36 ILE CD1 . 19372 1 353 . 1 1 36 36 ILE N N 15 122.127 0.046 . 1 . . . A 36 ILE N . 19372 1 354 . 1 1 37 37 GLU H H 1 8.353 0.005 . 1 . . . A 37 GLU H . 19372 1 355 . 1 1 37 37 GLU HA H 1 3.924 0.013 . 1 . . . A 37 GLU HA . 19372 1 356 . 1 1 37 37 GLU HB2 H 1 2.083 0.006 . 2 . . . A 37 GLU HB2 . 19372 1 357 . 1 1 37 37 GLU HB3 H 1 2.083 0.006 . 2 . . . A 37 GLU HB3 . 19372 1 358 . 1 1 37 37 GLU HG2 H 1 2.447 0.003 . 2 . . . A 37 GLU HG2 . 19372 1 359 . 1 1 37 37 GLU HG3 H 1 2.447 0.003 . 2 . . . A 37 GLU HG3 . 19372 1 360 . 1 1 37 37 GLU CA C 13 59.520 0.020 . 1 . . . A 37 GLU CA . 19372 1 361 . 1 1 37 37 GLU CB C 13 28.326 0.112 . 1 . . . A 37 GLU CB . 19372 1 362 . 1 1 37 37 GLU CG C 13 34.265 0.048 . 1 . . . A 37 GLU CG . 19372 1 363 . 1 1 37 37 GLU N N 15 117.968 0.029 . 1 . . . A 37 GLU N . 19372 1 364 . 1 1 38 38 LYS H H 1 7.520 0.004 . 1 . . . A 38 LYS H . 19372 1 365 . 1 1 38 38 LYS HA H 1 4.094 0.010 . 1 . . . A 38 LYS HA . 19372 1 366 . 1 1 38 38 LYS HB2 H 1 1.775 0.001 . 2 . . . A 38 LYS HB2 . 19372 1 367 . 1 1 38 38 LYS HB3 H 1 1.897 0.000 . 2 . . . A 38 LYS HB3 . 19372 1 368 . 1 1 38 38 LYS HG2 H 1 1.562 0.000 . 2 . . . A 38 LYS HG2 . 19372 1 369 . 1 1 38 38 LYS HG3 H 1 1.562 0.000 . 2 . . . A 38 LYS HG3 . 19372 1 370 . 1 1 38 38 LYS CA C 13 59.700 0.000 . 1 . . . A 38 LYS CA . 19372 1 371 . 1 1 38 38 LYS CB C 13 32.180 0.056 . 1 . . . A 38 LYS CB . 19372 1 372 . 1 1 38 38 LYS CG C 13 24.935 0.000 . 1 . . . A 38 LYS CG . 19372 1 373 . 1 1 38 38 LYS CD C 13 29.172 0.000 . 1 . . . A 38 LYS CD . 19372 1 374 . 1 1 38 38 LYS N N 15 118.828 0.021 . 1 . . . A 38 LYS N . 19372 1 375 . 1 1 39 39 ASP H H 1 7.848 0.008 . 1 . . . A 39 ASP H . 19372 1 376 . 1 1 39 39 ASP HA H 1 4.447 0.008 . 1 . . . A 39 ASP HA . 19372 1 377 . 1 1 39 39 ASP HB2 H 1 2.499 0.004 . 2 . . . A 39 ASP HB2 . 19372 1 378 . 1 1 39 39 ASP HB3 H 1 2.894 0.007 . 2 . . . A 39 ASP HB3 . 19372 1 379 . 1 1 39 39 ASP CA C 13 56.500 0.000 . 1 . . . A 39 ASP CA . 19372 1 380 . 1 1 39 39 ASP CB C 13 38.908 0.016 . 1 . . . A 39 ASP CB . 19372 1 381 . 1 1 39 39 ASP N N 15 120.922 0.031 . 1 . . . A 39 ASP N . 19372 1 382 . 1 1 40 40 LEU H H 1 8.976 0.005 . 1 . . . A 40 LEU H . 19372 1 383 . 1 1 40 40 LEU HA H 1 4.148 0.004 . 1 . . . A 40 LEU HA . 19372 1 384 . 1 1 40 40 LEU HB2 H 1 1.896 0.005 . 1 . . . A 40 LEU HB2 . 19372 1 385 . 1 1 40 40 LEU HB3 H 1 1.515 0.006 . 1 . . . A 40 LEU HB3 . 19372 1 386 . 1 1 40 40 LEU HG H 1 1.699 0.009 . 1 . . . A 40 LEU HG . 19372 1 387 . 1 1 40 40 LEU HD11 H 1 1.018 0.006 . 1 . . . A 40 LEU HD11 . 19372 1 388 . 1 1 40 40 LEU HD12 H 1 1.018 0.006 . 1 . . . A 40 LEU HD12 . 19372 1 389 . 1 1 40 40 LEU HD13 H 1 1.018 0.006 . 1 . . . A 40 LEU HD13 . 19372 1 390 . 1 1 40 40 LEU HD21 H 1 0.913 0.008 . 1 . . . A 40 LEU HD21 . 19372 1 391 . 1 1 40 40 LEU HD22 H 1 0.913 0.008 . 1 . . . A 40 LEU HD22 . 19372 1 392 . 1 1 40 40 LEU HD23 H 1 0.913 0.008 . 1 . . . A 40 LEU HD23 . 19372 1 393 . 1 1 40 40 LEU CA C 13 58.298 0.000 . 1 . . . A 40 LEU CA . 19372 1 394 . 1 1 40 40 LEU CB C 13 42.370 0.015 . 1 . . . A 40 LEU CB . 19372 1 395 . 1 1 40 40 LEU CG C 13 27.235 0.000 . 1 . . . A 40 LEU CG . 19372 1 396 . 1 1 40 40 LEU CD1 C 13 25.685 0.063 . 1 . . . A 40 LEU CD1 . 19372 1 397 . 1 1 40 40 LEU CD2 C 13 24.827 0.070 . 1 . . . A 40 LEU CD2 . 19372 1 398 . 1 1 40 40 LEU N N 15 123.185 0.023 . 1 . . . A 40 LEU N . 19372 1 399 . 1 1 41 41 ASP H H 1 8.611 0.008 . 1 . . . A 41 ASP H . 19372 1 400 . 1 1 41 41 ASP HA H 1 4.227 0.003 . 1 . . . A 41 ASP HA . 19372 1 401 . 1 1 41 41 ASP HB2 H 1 2.775 0.009 . 1 . . . A 41 ASP HB2 . 19372 1 402 . 1 1 41 41 ASP HB3 H 1 2.947 0.004 . 1 . . . A 41 ASP HB3 . 19372 1 403 . 1 1 41 41 ASP CA C 13 56.998 0.007 . 1 . . . A 41 ASP CA . 19372 1 404 . 1 1 41 41 ASP CB C 13 39.586 0.099 . 1 . . . A 41 ASP CB . 19372 1 405 . 1 1 41 41 ASP N N 15 119.246 0.031 . 1 . . . A 41 ASP N . 19372 1 406 . 1 1 42 42 ALA H H 1 7.614 0.003 . 1 . . . A 42 ALA H . 19372 1 407 . 1 1 42 42 ALA HA H 1 4.066 0.001 . 1 . . . A 42 ALA HA . 19372 1 408 . 1 1 42 42 ALA HB1 H 1 1.482 0.005 . 1 . . . A 42 ALA HB1 . 19372 1 409 . 1 1 42 42 ALA HB2 H 1 1.482 0.005 . 1 . . . A 42 ALA HB2 . 19372 1 410 . 1 1 42 42 ALA HB3 H 1 1.482 0.005 . 1 . . . A 42 ALA HB3 . 19372 1 411 . 1 1 42 42 ALA CA C 13 54.622 0.027 . 1 . . . A 42 ALA CA . 19372 1 412 . 1 1 42 42 ALA CB C 13 18.006 0.050 . 1 . . . A 42 ALA CB . 19372 1 413 . 1 1 42 42 ALA N N 15 119.387 0.008 . 1 . . . A 42 ALA N . 19372 1 414 . 1 1 43 43 TRP H H 1 8.121 0.004 . 1 . . . A 43 TRP H . 19372 1 415 . 1 1 43 43 TRP HA H 1 4.227 0.007 . 1 . . . A 43 TRP HA . 19372 1 416 . 1 1 43 43 TRP HB2 H 1 3.157 0.011 . 1 . . . A 43 TRP HB2 . 19372 1 417 . 1 1 43 43 TRP HB3 H 1 3.307 0.008 . 1 . . . A 43 TRP HB3 . 19372 1 418 . 1 1 43 43 TRP HD1 H 1 7.153 0.009 . 1 . . . A 43 TRP HD1 . 19372 1 419 . 1 1 43 43 TRP HE1 H 1 9.991 0.005 . 1 . . . A 43 TRP HE1 . 19372 1 420 . 1 1 43 43 TRP HZ2 H 1 7.416 0.001 . 1 . . . A 43 TRP HZ2 . 19372 1 421 . 1 1 43 43 TRP HZ3 H 1 6.859 0.000 . 1 . . . A 43 TRP HZ3 . 19372 1 422 . 1 1 43 43 TRP HH2 H 1 7.225 0.015 . 1 . . . A 43 TRP HH2 . 19372 1 423 . 1 1 43 43 TRP CA C 13 61.613 0.026 . 1 . . . A 43 TRP CA . 19372 1 424 . 1 1 43 43 TRP CB C 13 28.230 0.262 . 1 . . . A 43 TRP CB . 19372 1 425 . 1 1 43 43 TRP CD1 C 13 127.029 0.000 . 1 . . . A 43 TRP CD1 . 19372 1 426 . 1 1 43 43 TRP CZ2 C 13 115.423 0.000 . 1 . . . A 43 TRP CZ2 . 19372 1 427 . 1 1 43 43 TRP CZ3 C 13 124.344 0.000 . 1 . . . A 43 TRP CZ3 . 19372 1 428 . 1 1 43 43 TRP CH2 C 13 121.509 0.000 . 1 . . . A 43 TRP CH2 . 19372 1 429 . 1 1 43 43 TRP N N 15 120.382 0.030 . 1 . . . A 43 TRP N . 19372 1 430 . 1 1 43 43 TRP NE1 N 15 129.471 0.056 . 1 . . . A 43 TRP NE1 . 19372 1 431 . 1 1 44 44 VAL H H 1 9.040 0.004 . 1 . . . A 44 VAL H . 19372 1 432 . 1 1 44 44 VAL HA H 1 2.863 0.006 . 1 . . . A 44 VAL HA . 19372 1 433 . 1 1 44 44 VAL HB H 1 1.749 0.004 . 1 . . . A 44 VAL HB . 19372 1 434 . 1 1 44 44 VAL HG11 H 1 0.611 0.009 . 1 . . . A 44 VAL HG11 . 19372 1 435 . 1 1 44 44 VAL HG12 H 1 0.611 0.009 . 1 . . . A 44 VAL HG12 . 19372 1 436 . 1 1 44 44 VAL HG13 H 1 0.611 0.009 . 1 . . . A 44 VAL HG13 . 19372 1 437 . 1 1 44 44 VAL HG21 H 1 0.499 0.012 . 1 . . . A 44 VAL HG21 . 19372 1 438 . 1 1 44 44 VAL HG22 H 1 0.499 0.012 . 1 . . . A 44 VAL HG22 . 19372 1 439 . 1 1 44 44 VAL HG23 H 1 0.499 0.012 . 1 . . . A 44 VAL HG23 . 19372 1 440 . 1 1 44 44 VAL CA C 13 65.694 0.061 . 1 . . . A 44 VAL CA . 19372 1 441 . 1 1 44 44 VAL CB C 13 30.825 0.000 . 1 . . . A 44 VAL CB . 19372 1 442 . 1 1 44 44 VAL CG1 C 13 21.679 0.098 . 1 . . . A 44 VAL CG1 . 19372 1 443 . 1 1 44 44 VAL CG2 C 13 22.227 0.000 . 1 . . . A 44 VAL CG2 . 19372 1 444 . 1 1 44 44 VAL N N 15 120.028 0.054 . 1 . . . A 44 VAL N . 19372 1 445 . 1 1 45 45 ASP H H 1 7.485 0.004 . 1 . . . A 45 ASP H . 19372 1 446 . 1 1 45 45 ASP HA H 1 4.319 0.012 . 1 . . . A 45 ASP HA . 19372 1 447 . 1 1 45 45 ASP HB2 H 1 2.788 0.010 . 2 . . . A 45 ASP HB2 . 19372 1 448 . 1 1 45 45 ASP HB3 H 1 2.929 0.006 . 2 . . . A 45 ASP HB3 . 19372 1 449 . 1 1 45 45 ASP CA C 13 56.000 0.000 . 1 . . . A 45 ASP CA . 19372 1 450 . 1 1 45 45 ASP CB C 13 38.500 0.000 . 1 . . . A 45 ASP CB . 19372 1 451 . 1 1 45 45 ASP N N 15 118.438 0.065 . 1 . . . A 45 ASP N . 19372 1 452 . 1 1 46 46 THR H H 1 7.580 0.003 . 1 . . . A 46 THR H . 19372 1 453 . 1 1 46 46 THR HA H 1 4.180 0.013 . 1 . . . A 46 THR HA . 19372 1 454 . 1 1 46 46 THR HB H 1 4.176 0.006 . 1 . . . A 46 THR HB . 19372 1 455 . 1 1 46 46 THR HG21 H 1 1.278 0.006 . 1 . . . A 46 THR HG21 . 19372 1 456 . 1 1 46 46 THR HG22 H 1 1.278 0.006 . 1 . . . A 46 THR HG22 . 19372 1 457 . 1 1 46 46 THR HG23 H 1 1.278 0.006 . 1 . . . A 46 THR HG23 . 19372 1 458 . 1 1 46 46 THR CA C 13 63.252 0.034 . 1 . . . A 46 THR CA . 19372 1 459 . 1 1 46 46 THR CB C 13 70.112 0.031 . 1 . . . A 46 THR CB . 19372 1 460 . 1 1 46 46 THR CG2 C 13 21.313 0.029 . 1 . . . A 46 THR CG2 . 19372 1 461 . 1 1 46 46 THR N N 15 110.299 0.025 . 1 . . . A 46 THR N . 19372 1 462 . 1 1 47 47 LEU H H 1 7.022 0.003 . 1 . . . A 47 LEU H . 19372 1 463 . 1 1 47 47 LEU HA H 1 3.838 0.006 . 1 . . . A 47 LEU HA . 19372 1 464 . 1 1 47 47 LEU HB2 H 1 1.097 0.005 . 2 . . . A 47 LEU HB2 . 19372 1 465 . 1 1 47 47 LEU HB3 H 1 1.511 0.005 . 2 . . . A 47 LEU HB3 . 19372 1 466 . 1 1 47 47 LEU HG H 1 0.843 0.003 . 1 . . . A 47 LEU HG . 19372 1 467 . 1 1 47 47 LEU HD11 H 1 0.013 0.005 . 1 . . . A 47 LEU HD11 . 19372 1 468 . 1 1 47 47 LEU HD12 H 1 0.013 0.005 . 1 . . . A 47 LEU HD12 . 19372 1 469 . 1 1 47 47 LEU HD13 H 1 0.013 0.005 . 1 . . . A 47 LEU HD13 . 19372 1 470 . 1 1 47 47 LEU HD21 H 1 -0.501 0.009 . 1 . . . A 47 LEU HD21 . 19372 1 471 . 1 1 47 47 LEU HD22 H 1 -0.501 0.009 . 1 . . . A 47 LEU HD22 . 19372 1 472 . 1 1 47 47 LEU HD23 H 1 -0.501 0.009 . 1 . . . A 47 LEU HD23 . 19372 1 473 . 1 1 47 47 LEU CA C 13 55.604 0.030 . 1 . . . A 47 LEU CA . 19372 1 474 . 1 1 47 47 LEU CB C 13 43.115 0.021 . 1 . . . A 47 LEU CB . 19372 1 475 . 1 1 47 47 LEU CG C 13 25.187 0.062 . 1 . . . A 47 LEU CG . 19372 1 476 . 1 1 47 47 LEU CD1 C 13 20.721 0.063 . 1 . . . A 47 LEU CD1 . 19372 1 477 . 1 1 47 47 LEU CD2 C 13 23.897 0.054 . 1 . . . A 47 LEU CD2 . 19372 1 478 . 1 1 47 47 LEU N N 15 120.158 0.026 . 1 . . . A 47 LEU N . 19372 1 479 . 1 1 48 48 GLY H H 1 7.667 0.003 . 1 . . . A 48 GLY H . 19372 1 480 . 1 1 48 48 GLY HA2 H 1 3.815 0.002 . 2 . . . A 48 GLY HA2 . 19372 1 481 . 1 1 48 48 GLY HA3 H 1 4.051 0.005 . 2 . . . A 48 GLY HA3 . 19372 1 482 . 1 1 48 48 GLY CA C 13 44.500 0.017 . 1 . . . A 48 GLY CA . 19372 1 483 . 1 1 48 48 GLY N N 15 104.927 0.032 . 1 . . . A 48 GLY N . 19372 1 484 . 1 1 49 49 GLY H H 1 8.533 0.004 . 1 . . . A 49 GLY H . 19372 1 485 . 1 1 49 49 GLY HA2 H 1 3.715 0.007 . 2 . . . A 49 GLY HA2 . 19372 1 486 . 1 1 49 49 GLY HA3 H 1 3.808 0.004 . 2 . . . A 49 GLY HA3 . 19372 1 487 . 1 1 49 49 GLY CA C 13 46.819 0.019 . 1 . . . A 49 GLY CA . 19372 1 488 . 1 1 49 49 GLY N N 15 108.141 0.033 . 1 . . . A 49 GLY N . 19372 1 489 . 1 1 50 50 ASP H H 1 8.335 0.009 . 1 . . . A 50 ASP H . 19372 1 490 . 1 1 50 50 ASP HA H 1 4.821 0.009 . 1 . . . A 50 ASP HA . 19372 1 491 . 1 1 50 50 ASP HB2 H 1 2.554 0.016 . 2 . . . A 50 ASP HB2 . 19372 1 492 . 1 1 50 50 ASP HB3 H 1 2.660 0.011 . 2 . . . A 50 ASP HB3 . 19372 1 493 . 1 1 50 50 ASP CA C 13 52.962 0.001 . 1 . . . A 50 ASP CA . 19372 1 494 . 1 1 50 50 ASP CB C 13 39.400 0.000 . 1 . . . A 50 ASP CB . 19372 1 495 . 1 1 50 50 ASP N N 15 122.133 0.020 . 1 . . . A 50 ASP N . 19372 1 496 . 1 1 51 51 TYR H H 1 7.307 0.005 . 1 . . . A 51 TYR H . 19372 1 497 . 1 1 51 51 TYR HA H 1 4.026 0.004 . 1 . . . A 51 TYR HA . 19372 1 498 . 1 1 51 51 TYR HB2 H 1 2.737 0.005 . 2 . . . A 51 TYR HB2 . 19372 1 499 . 1 1 51 51 TYR HB3 H 1 2.812 0.014 . 2 . . . A 51 TYR HB3 . 19372 1 500 . 1 1 51 51 TYR HD1 H 1 7.250 0.010 . 3 . . . A 51 TYR HD1 . 19372 1 501 . 1 1 51 51 TYR HD2 H 1 7.250 0.010 . 3 . . . A 51 TYR HD2 . 19372 1 502 . 1 1 51 51 TYR HE1 H 1 6.707 0.000 . 3 . . . A 51 TYR HE1 . 19372 1 503 . 1 1 51 51 TYR HE2 H 1 6.707 0.000 . 3 . . . A 51 TYR HE2 . 19372 1 504 . 1 1 51 51 TYR CA C 13 62.982 0.032 . 1 . . . A 51 TYR CA . 19372 1 505 . 1 1 51 51 TYR CB C 13 38.425 0.043 . 1 . . . A 51 TYR CB . 19372 1 506 . 1 1 51 51 TYR CD1 C 13 133.882 0.000 . 3 . . . A 51 TYR CD1 . 19372 1 507 . 1 1 51 51 TYR CD2 C 13 133.882 0.000 . 3 . . . A 51 TYR CD2 . 19372 1 508 . 1 1 51 51 TYR CE1 C 13 118.334 0.000 . 3 . . . A 51 TYR CE1 . 19372 1 509 . 1 1 51 51 TYR CE2 C 13 118.334 0.000 . 3 . . . A 51 TYR CE2 . 19372 1 510 . 1 1 51 51 TYR N N 15 116.727 0.014 . 1 . . . A 51 TYR N . 19372 1 511 . 1 1 52 52 LYS H H 1 8.370 0.003 . 1 . . . A 52 LYS H . 19372 1 512 . 1 1 52 52 LYS HA H 1 3.881 0.007 . 1 . . . A 52 LYS HA . 19372 1 513 . 1 1 52 52 LYS HB2 H 1 1.837 0.011 . 2 . . . A 52 LYS HB2 . 19372 1 514 . 1 1 52 52 LYS HB3 H 1 1.837 0.011 . 2 . . . A 52 LYS HB3 . 19372 1 515 . 1 1 52 52 LYS HG2 H 1 1.419 0.003 . 2 . . . A 52 LYS HG2 . 19372 1 516 . 1 1 52 52 LYS HG3 H 1 1.419 0.003 . 2 . . . A 52 LYS HG3 . 19372 1 517 . 1 1 52 52 LYS HD2 H 1 1.654 0.002 . 2 . . . A 52 LYS HD2 . 19372 1 518 . 1 1 52 52 LYS HD3 H 1 1.654 0.002 . 2 . . . A 52 LYS HD3 . 19372 1 519 . 1 1 52 52 LYS HE2 H 1 2.869 0.000 . 2 . . . A 52 LYS HE2 . 19372 1 520 . 1 1 52 52 LYS HE3 H 1 2.869 0.000 . 2 . . . A 52 LYS HE3 . 19372 1 521 . 1 1 52 52 LYS CA C 13 60.138 0.015 . 1 . . . A 52 LYS CA . 19372 1 522 . 1 1 52 52 LYS CB C 13 32.016 0.118 . 1 . . . A 52 LYS CB . 19372 1 523 . 1 1 52 52 LYS CG C 13 24.708 0.048 . 1 . . . A 52 LYS CG . 19372 1 524 . 1 1 52 52 LYS CD C 13 29.654 0.083 . 1 . . . A 52 LYS CD . 19372 1 525 . 1 1 52 52 LYS CE C 13 42.006 0.006 . 1 . . . A 52 LYS CE . 19372 1 526 . 1 1 52 52 LYS N N 15 119.945 0.024 . 1 . . . A 52 LYS N . 19372 1 527 . 1 1 53 53 ALA H H 1 7.913 0.011 . 1 . . . A 53 ALA H . 19372 1 528 . 1 1 53 53 ALA HA H 1 4.098 0.005 . 1 . . . A 53 ALA HA . 19372 1 529 . 1 1 53 53 ALA HB1 H 1 1.414 0.013 . 1 . . . A 53 ALA HB1 . 19372 1 530 . 1 1 53 53 ALA HB2 H 1 1.414 0.013 . 1 . . . A 53 ALA HB2 . 19372 1 531 . 1 1 53 53 ALA HB3 H 1 1.414 0.013 . 1 . . . A 53 ALA HB3 . 19372 1 532 . 1 1 53 53 ALA CA C 13 55.203 0.006 . 1 . . . A 53 ALA CA . 19372 1 533 . 1 1 53 53 ALA CB C 13 17.795 0.027 . 1 . . . A 53 ALA CB . 19372 1 534 . 1 1 53 53 ALA N N 15 121.977 0.043 . 1 . . . A 53 ALA N . 19372 1 535 . 1 1 54 54 LYS H H 1 7.963 0.008 . 1 . . . A 54 LYS H . 19372 1 536 . 1 1 54 54 LYS HA H 1 4.075 0.006 . 1 . . . A 54 LYS HA . 19372 1 537 . 1 1 54 54 LYS HB2 H 1 1.924 0.000 . 2 . . . A 54 LYS HB2 . 19372 1 538 . 1 1 54 54 LYS HB3 H 1 2.109 0.002 . 2 . . . A 54 LYS HB3 . 19372 1 539 . 1 1 54 54 LYS HD2 H 1 1.626 0.000 . 2 . . . A 54 LYS HD2 . 19372 1 540 . 1 1 54 54 LYS HD3 H 1 1.694 0.000 . 2 . . . A 54 LYS HD3 . 19372 1 541 . 1 1 54 54 LYS CA C 13 59.428 0.017 . 1 . . . A 54 LYS CA . 19372 1 542 . 1 1 54 54 LYS CB C 13 33.451 0.043 . 1 . . . A 54 LYS CB . 19372 1 543 . 1 1 54 54 LYS CG C 13 25.716 0.000 . 1 . . . A 54 LYS CG . 19372 1 544 . 1 1 54 54 LYS CD C 13 29.584 0.076 . 1 . . . A 54 LYS CD . 19372 1 545 . 1 1 54 54 LYS N N 15 117.600 0.019 . 1 . . . A 54 LYS N . 19372 1 546 . 1 1 55 55 PHE H H 1 8.967 0.004 . 1 . . . A 55 PHE H . 19372 1 547 . 1 1 55 55 PHE HA H 1 3.917 0.006 . 1 . . . A 55 PHE HA . 19372 1 548 . 1 1 55 55 PHE HB2 H 1 2.855 0.003 . 2 . . . A 55 PHE HB2 . 19372 1 549 . 1 1 55 55 PHE HB3 H 1 3.119 0.009 . 2 . . . A 55 PHE HB3 . 19372 1 550 . 1 1 55 55 PHE HD1 H 1 6.213 0.001 . 3 . . . A 55 PHE HD1 . 19372 1 551 . 1 1 55 55 PHE HD2 H 1 6.213 0.001 . 3 . . . A 55 PHE HD2 . 19372 1 552 . 1 1 55 55 PHE CA C 13 60.008 0.019 . 1 . . . A 55 PHE CA . 19372 1 553 . 1 1 55 55 PHE CB C 13 39.665 0.050 . 1 . . . A 55 PHE CB . 19372 1 554 . 1 1 55 55 PHE CD1 C 13 131.281 0.000 . 3 . . . A 55 PHE CD1 . 19372 1 555 . 1 1 55 55 PHE CD2 C 13 131.281 0.000 . 3 . . . A 55 PHE CD2 . 19372 1 556 . 1 1 55 55 PHE N N 15 123.083 0.017 . 1 . . . A 55 PHE N . 19372 1 557 . 1 1 56 56 GLU H H 1 8.514 0.004 . 1 . . . A 56 GLU H . 19372 1 558 . 1 1 56 56 GLU HA H 1 3.705 0.007 . 1 . . . A 56 GLU HA . 19372 1 559 . 1 1 56 56 GLU HB2 H 1 2.102 0.008 . 1 . . . A 56 GLU HB2 . 19372 1 560 . 1 1 56 56 GLU HB3 H 1 2.021 0.004 . 1 . . . A 56 GLU HB3 . 19372 1 561 . 1 1 56 56 GLU HG2 H 1 2.495 0.004 . 2 . . . A 56 GLU HG2 . 19372 1 562 . 1 1 56 56 GLU HG3 H 1 2.495 0.004 . 2 . . . A 56 GLU HG3 . 19372 1 563 . 1 1 56 56 GLU CA C 13 58.898 0.014 . 1 . . . A 56 GLU CA . 19372 1 564 . 1 1 56 56 GLU CB C 13 27.915 0.038 . 1 . . . A 56 GLU CB . 19372 1 565 . 1 1 56 56 GLU CG C 13 34.500 0.000 . 1 . . . A 56 GLU CG . 19372 1 566 . 1 1 56 56 GLU N N 15 118.603 0.037 . 1 . . . A 56 GLU N . 19372 1 567 . 1 1 57 57 THR H H 1 7.997 0.005 . 1 . . . A 57 THR H . 19372 1 568 . 1 1 57 57 THR HA H 1 3.803 0.005 . 1 . . . A 57 THR HA . 19372 1 569 . 1 1 57 57 THR HB H 1 4.196 0.012 . 1 . . . A 57 THR HB . 19372 1 570 . 1 1 57 57 THR HG21 H 1 1.182 0.009 . 1 . . . A 57 THR HG21 . 19372 1 571 . 1 1 57 57 THR HG22 H 1 1.182 0.009 . 1 . . . A 57 THR HG22 . 19372 1 572 . 1 1 57 57 THR HG23 H 1 1.182 0.009 . 1 . . . A 57 THR HG23 . 19372 1 573 . 1 1 57 57 THR CA C 13 66.912 0.025 . 1 . . . A 57 THR CA . 19372 1 574 . 1 1 57 57 THR CB C 13 68.800 0.027 . 1 . . . A 57 THR CB . 19372 1 575 . 1 1 57 57 THR CG2 C 13 21.678 0.090 . 1 . . . A 57 THR CG2 . 19372 1 576 . 1 1 57 57 THR N N 15 117.055 0.043 . 1 . . . A 57 THR N . 19372 1 577 . 1 1 58 58 PHE H H 1 7.898 0.006 . 1 . . . A 58 PHE H . 19372 1 578 . 1 1 58 58 PHE HA H 1 4.310 0.009 . 1 . . . A 58 PHE HA . 19372 1 579 . 1 1 58 58 PHE HB2 H 1 3.181 0.007 . 2 . . . A 58 PHE HB2 . 19372 1 580 . 1 1 58 58 PHE HB3 H 1 3.319 0.008 . 2 . . . A 58 PHE HB3 . 19372 1 581 . 1 1 58 58 PHE HD1 H 1 7.192 0.005 . 3 . . . A 58 PHE HD1 . 19372 1 582 . 1 1 58 58 PHE HD2 H 1 7.192 0.005 . 3 . . . A 58 PHE HD2 . 19372 1 583 . 1 1 58 58 PHE CA C 13 60.800 0.022 . 1 . . . A 58 PHE CA . 19372 1 584 . 1 1 58 58 PHE CB C 13 38.994 0.033 . 1 . . . A 58 PHE CB . 19372 1 585 . 1 1 58 58 PHE N N 15 123.608 0.026 . 1 . . . A 58 PHE N . 19372 1 586 . 1 1 59 59 LYS H H 1 8.337 0.005 . 1 . . . A 59 LYS H . 19372 1 587 . 1 1 59 59 LYS HA H 1 3.411 0.008 . 1 . . . A 59 LYS HA . 19372 1 588 . 1 1 59 59 LYS HB2 H 1 1.386 0.000 . 2 . . . A 59 LYS HB2 . 19372 1 589 . 1 1 59 59 LYS HB3 H 1 1.478 0.000 . 2 . . . A 59 LYS HB3 . 19372 1 590 . 1 1 59 59 LYS HG2 H 1 0.882 0.001 . 2 . . . A 59 LYS HG2 . 19372 1 591 . 1 1 59 59 LYS HG3 H 1 0.915 0.000 . 2 . . . A 59 LYS HG3 . 19372 1 592 . 1 1 59 59 LYS HD2 H 1 1.249 0.010 . 2 . . . A 59 LYS HD2 . 19372 1 593 . 1 1 59 59 LYS HD3 H 1 1.310 0.021 . 2 . . . A 59 LYS HD3 . 19372 1 594 . 1 1 59 59 LYS HE2 H 1 2.187 0.001 . 2 . . . A 59 LYS HE2 . 19372 1 595 . 1 1 59 59 LYS HE3 H 1 2.500 0.002 . 2 . . . A 59 LYS HE3 . 19372 1 596 . 1 1 59 59 LYS CA C 13 59.959 0.019 . 1 . . . A 59 LYS CA . 19372 1 597 . 1 1 59 59 LYS CB C 13 31.609 0.000 . 1 . . . A 59 LYS CB . 19372 1 598 . 1 1 59 59 LYS CG C 13 24.694 0.026 . 1 . . . A 59 LYS CG . 19372 1 599 . 1 1 59 59 LYS CD C 13 29.231 0.048 . 1 . . . A 59 LYS CD . 19372 1 600 . 1 1 59 59 LYS CE C 13 41.180 0.000 . 1 . . . A 59 LYS CE . 19372 1 601 . 1 1 59 59 LYS N N 15 119.410 0.035 . 1 . . . A 59 LYS N . 19372 1 602 . 1 1 60 60 LYS H H 1 7.612 0.005 . 1 . . . A 60 LYS H . 19372 1 603 . 1 1 60 60 LYS HA H 1 3.837 0.004 . 1 . . . A 60 LYS HA . 19372 1 604 . 1 1 60 60 LYS HB2 H 1 1.345 0.000 . 2 . . . A 60 LYS HB2 . 19372 1 605 . 1 1 60 60 LYS HB3 H 1 1.484 0.000 . 2 . . . A 60 LYS HB3 . 19372 1 606 . 1 1 60 60 LYS HG2 H 1 1.526 0.001 . 2 . . . A 60 LYS HG2 . 19372 1 607 . 1 1 60 60 LYS HG3 H 1 1.526 0.001 . 2 . . . A 60 LYS HG3 . 19372 1 608 . 1 1 60 60 LYS HD2 H 1 1.314 0.000 . 2 . . . A 60 LYS HD2 . 19372 1 609 . 1 1 60 60 LYS HD3 H 1 1.314 0.000 . 2 . . . A 60 LYS HD3 . 19372 1 610 . 1 1 60 60 LYS CA C 13 59.698 0.019 . 1 . . . A 60 LYS CA . 19372 1 611 . 1 1 60 60 LYS CB C 13 32.297 0.098 . 1 . . . A 60 LYS CB . 19372 1 612 . 1 1 60 60 LYS CG C 13 25.106 0.021 . 1 . . . A 60 LYS CG . 19372 1 613 . 1 1 60 60 LYS CD C 13 29.314 0.113 . 1 . . . A 60 LYS CD . 19372 1 614 . 1 1 60 60 LYS CE C 13 41.983 0.000 . 1 . . . A 60 LYS CE . 19372 1 615 . 1 1 60 60 LYS N N 15 119.497 0.029 . 1 . . . A 60 LYS N . 19372 1 616 . 1 1 61 61 GLU H H 1 8.071 0.008 . 1 . . . A 61 GLU H . 19372 1 617 . 1 1 61 61 GLU HA H 1 3.998 0.009 . 1 . . . A 61 GLU HA . 19372 1 618 . 1 1 61 61 GLU HB2 H 1 2.104 0.010 . 1 . . . A 61 GLU HB2 . 19372 1 619 . 1 1 61 61 GLU HB3 H 1 1.874 0.011 . 1 . . . A 61 GLU HB3 . 19372 1 620 . 1 1 61 61 GLU HG2 H 1 2.527 0.000 . 1 . . . A 61 GLU HG2 . 19372 1 621 . 1 1 61 61 GLU HG3 H 1 2.527 0.000 . 1 . . . A 61 GLU HG3 . 19372 1 622 . 1 1 61 61 GLU CA C 13 58.700 0.000 . 1 . . . A 61 GLU CA . 19372 1 623 . 1 1 61 61 GLU CB C 13 28.053 0.034 . 1 . . . A 61 GLU CB . 19372 1 624 . 1 1 61 61 GLU CG C 13 33.645 0.047 . 1 . . . A 61 GLU CG . 19372 1 625 . 1 1 61 61 GLU N N 15 120.540 0.028 . 1 . . . A 61 GLU N . 19372 1 626 . 1 1 62 62 MET H H 1 8.133 0.004 . 1 . . . A 62 MET H . 19372 1 627 . 1 1 62 62 MET HA H 1 4.097 0.002 . 1 . . . A 62 MET HA . 19372 1 628 . 1 1 62 62 MET HB2 H 1 1.745 0.003 . 2 . . . A 62 MET HB2 . 19372 1 629 . 1 1 62 62 MET HB3 H 1 2.058 0.007 . 2 . . . A 62 MET HB3 . 19372 1 630 . 1 1 62 62 MET HE1 H 1 1.962 0.000 . 1 . . . A 62 MET HE1 . 19372 1 631 . 1 1 62 62 MET HE2 H 1 1.962 0.000 . 1 . . . A 62 MET HE2 . 19372 1 632 . 1 1 62 62 MET HE3 H 1 1.962 0.000 . 1 . . . A 62 MET HE3 . 19372 1 633 . 1 1 62 62 MET CA C 13 57.200 0.000 . 1 . . . A 62 MET CA . 19372 1 634 . 1 1 62 62 MET CB C 13 31.803 0.035 . 1 . . . A 62 MET CB . 19372 1 635 . 1 1 62 62 MET CG C 13 32.461 0.049 . 1 . . . A 62 MET CG . 19372 1 636 . 1 1 62 62 MET CE C 13 16.856 0.000 . 1 . . . A 62 MET CE . 19372 1 637 . 1 1 62 62 MET N N 15 121.290 0.018 . 1 . . . A 62 MET N . 19372 1 638 . 1 1 63 63 LYS H H 1 7.842 0.004 . 1 . . . A 63 LYS H . 19372 1 639 . 1 1 63 63 LYS HA H 1 3.945 0.004 . 1 . . . A 63 LYS HA . 19372 1 640 . 1 1 63 63 LYS HB2 H 1 1.783 0.000 . 2 . . . A 63 LYS HB2 . 19372 1 641 . 1 1 63 63 LYS HB3 H 1 1.783 0.000 . 2 . . . A 63 LYS HB3 . 19372 1 642 . 1 1 63 63 LYS HE2 H 1 2.826 0.017 . 2 . . . A 63 LYS HE2 . 19372 1 643 . 1 1 63 63 LYS HE3 H 1 2.826 0.017 . 2 . . . A 63 LYS HE3 . 19372 1 644 . 1 1 63 63 LYS CA C 13 59.000 0.000 . 1 . . . A 63 LYS CA . 19372 1 645 . 1 1 63 63 LYS CB C 13 32.010 0.091 . 1 . . . A 63 LYS CB . 19372 1 646 . 1 1 63 63 LYS CG C 13 24.955 0.043 . 1 . . . A 63 LYS CG . 19372 1 647 . 1 1 63 63 LYS CD C 13 29.007 0.097 . 1 . . . A 63 LYS CD . 19372 1 648 . 1 1 63 63 LYS CE C 13 41.990 0.024 . 1 . . . A 63 LYS CE . 19372 1 649 . 1 1 63 63 LYS N N 15 120.378 0.005 . 1 . . . A 63 LYS N . 19372 1 650 . 1 1 64 64 ALA H H 1 7.664 0.003 . 1 . . . A 64 ALA H . 19372 1 651 . 1 1 64 64 ALA HA H 1 4.140 0.002 . 1 . . . A 64 ALA HA . 19372 1 652 . 1 1 64 64 ALA HB1 H 1 1.400 0.013 . 1 . . . A 64 ALA HB1 . 19372 1 653 . 1 1 64 64 ALA HB2 H 1 1.400 0.013 . 1 . . . A 64 ALA HB2 . 19372 1 654 . 1 1 64 64 ALA HB3 H 1 1.400 0.013 . 1 . . . A 64 ALA HB3 . 19372 1 655 . 1 1 64 64 ALA CA C 13 54.860 0.000 . 1 . . . A 64 ALA CA . 19372 1 656 . 1 1 64 64 ALA CB C 13 17.803 0.152 . 1 . . . A 64 ALA CB . 19372 1 657 . 1 1 64 64 ALA N N 15 122.025 0.001 . 1 . . . A 64 ALA N . 19372 1 658 . 1 1 65 65 LYS H H 1 7.982 0.006 . 1 . . . A 65 LYS H . 19372 1 659 . 1 1 65 65 LYS HA H 1 3.999 0.000 . 1 . . . A 65 LYS HA . 19372 1 660 . 1 1 65 65 LYS HB2 H 1 1.887 0.005 . 2 . . . A 65 LYS HB2 . 19372 1 661 . 1 1 65 65 LYS HB3 H 1 1.887 0.005 . 2 . . . A 65 LYS HB3 . 19372 1 662 . 1 1 65 65 LYS CA C 13 58.722 0.092 . 1 . . . A 65 LYS CA . 19372 1 663 . 1 1 65 65 LYS CB C 13 31.998 0.091 . 1 . . . A 65 LYS CB . 19372 1 664 . 1 1 65 65 LYS CG C 13 24.908 0.119 . 1 . . . A 65 LYS CG . 19372 1 665 . 1 1 65 65 LYS N N 15 119.948 0.043 . 1 . . . A 65 LYS N . 19372 1 666 . 1 1 66 66 GLU H H 1 8.261 0.003 . 1 . . . A 66 GLU H . 19372 1 667 . 1 1 66 66 GLU HA H 1 4.034 0.010 . 1 . . . A 66 GLU HA . 19372 1 668 . 1 1 66 66 GLU HB2 H 1 2.097 0.000 . 2 . . . A 66 GLU HB2 . 19372 1 669 . 1 1 66 66 GLU HB3 H 1 2.097 0.000 . 2 . . . A 66 GLU HB3 . 19372 1 670 . 1 1 66 66 GLU HG2 H 1 2.524 0.007 . 2 . . . A 66 GLU HG2 . 19372 1 671 . 1 1 66 66 GLU HG3 H 1 2.524 0.007 . 2 . . . A 66 GLU HG3 . 19372 1 672 . 1 1 66 66 GLU CA C 13 58.922 0.084 . 1 . . . A 66 GLU CA . 19372 1 673 . 1 1 66 66 GLU CB C 13 27.846 0.003 . 1 . . . A 66 GLU CB . 19372 1 674 . 1 1 66 66 GLU CG C 13 33.792 0.000 . 1 . . . A 66 GLU CG . 19372 1 675 . 1 1 66 66 GLU N N 15 118.632 0.040 . 1 . . . A 66 GLU N . 19372 1 676 . 1 1 67 67 ALA HA H 1 4.181 0.000 . 1 . . . A 67 ALA HA . 19372 1 677 . 1 1 67 67 ALA HB1 H 1 1.416 0.000 . 1 . . . A 67 ALA HB1 . 19372 1 678 . 1 1 67 67 ALA HB2 H 1 1.416 0.000 . 1 . . . A 67 ALA HB2 . 19372 1 679 . 1 1 67 67 ALA HB3 H 1 1.416 0.000 . 1 . . . A 67 ALA HB3 . 19372 1 680 . 1 1 67 67 ALA CA C 13 54.887 0.056 . 1 . . . A 67 ALA CA . 19372 1 681 . 1 1 67 67 ALA CB C 13 17.858 0.061 . 1 . . . A 67 ALA CB . 19372 1 682 . 1 1 68 68 GLU H H 1 7.829 0.002 . 1 . . . A 68 GLU H . 19372 1 683 . 1 1 68 68 GLU HA H 1 3.911 0.000 . 1 . . . A 68 GLU HA . 19372 1 684 . 1 1 68 68 GLU HG2 H 1 2.260 0.003 . 2 . . . A 68 GLU HG2 . 19372 1 685 . 1 1 68 68 GLU HG3 H 1 2.260 0.003 . 2 . . . A 68 GLU HG3 . 19372 1 686 . 1 1 68 68 GLU CA C 13 58.632 0.032 . 1 . . . A 68 GLU CA . 19372 1 687 . 1 1 68 68 GLU CB C 13 28.262 0.146 . 1 . . . A 68 GLU CB . 19372 1 688 . 1 1 68 68 GLU CG C 13 33.620 0.042 . 1 . . . A 68 GLU CG . 19372 1 689 . 1 1 68 68 GLU N N 15 119.398 0.017 . 1 . . . A 68 GLU N . 19372 1 690 . 1 1 69 69 LEU H H 1 8.428 0.002 . 1 . . . A 69 LEU H . 19372 1 691 . 1 1 69 69 LEU HA H 1 4.038 0.005 . 1 . . . A 69 LEU HA . 19372 1 692 . 1 1 69 69 LEU HB2 H 1 1.452 0.002 . 1 . . . A 69 LEU HB2 . 19372 1 693 . 1 1 69 69 LEU HB3 H 1 1.762 0.011 . 1 . . . A 69 LEU HB3 . 19372 1 694 . 1 1 69 69 LEU HD11 H 1 0.804 0.002 . 2 . . . A 69 LEU HD11 . 19372 1 695 . 1 1 69 69 LEU HD12 H 1 0.804 0.002 . 2 . . . A 69 LEU HD12 . 19372 1 696 . 1 1 69 69 LEU HD13 H 1 0.804 0.002 . 2 . . . A 69 LEU HD13 . 19372 1 697 . 1 1 69 69 LEU HD21 H 1 0.804 0.002 . 2 . . . A 69 LEU HD21 . 19372 1 698 . 1 1 69 69 LEU HD22 H 1 0.804 0.002 . 2 . . . A 69 LEU HD22 . 19372 1 699 . 1 1 69 69 LEU HD23 H 1 0.804 0.002 . 2 . . . A 69 LEU HD23 . 19372 1 700 . 1 1 69 69 LEU CA C 13 58.087 0.008 . 1 . . . A 69 LEU CA . 19372 1 701 . 1 1 69 69 LEU CB C 13 41.580 0.034 . 1 . . . A 69 LEU CB . 19372 1 702 . 1 1 69 69 LEU CG C 13 26.617 0.017 . 1 . . . A 69 LEU CG . 19372 1 703 . 1 1 69 69 LEU CD1 C 13 23.170 0.000 . 2 . . . A 69 LEU CD1 . 19372 1 704 . 1 1 69 69 LEU CD2 C 13 25.138 0.041 . 2 . . . A 69 LEU CD2 . 19372 1 705 . 1 1 69 69 LEU N N 15 119.871 0.031 . 1 . . . A 69 LEU N . 19372 1 706 . 1 1 70 70 ALA H H 1 8.091 0.014 . 1 . . . A 70 ALA H . 19372 1 707 . 1 1 70 70 ALA HA H 1 4.160 0.006 . 1 . . . A 70 ALA HA . 19372 1 708 . 1 1 70 70 ALA HB1 H 1 1.439 0.004 . 1 . . . A 70 ALA HB1 . 19372 1 709 . 1 1 70 70 ALA HB2 H 1 1.439 0.004 . 1 . . . A 70 ALA HB2 . 19372 1 710 . 1 1 70 70 ALA HB3 H 1 1.439 0.004 . 1 . . . A 70 ALA HB3 . 19372 1 711 . 1 1 70 70 ALA CA C 13 54.831 0.020 . 1 . . . A 70 ALA CA . 19372 1 712 . 1 1 70 70 ALA CB C 13 18.000 0.000 . 1 . . . A 70 ALA CB . 19372 1 713 . 1 1 70 70 ALA N N 15 122.464 0.034 . 1 . . . A 70 ALA N . 19372 1 714 . 1 1 71 71 LYS H H 1 7.674 0.006 . 1 . . . A 71 LYS H . 19372 1 715 . 1 1 71 71 LYS HA H 1 4.087 0.000 . 1 . . . A 71 LYS HA . 19372 1 716 . 1 1 71 71 LYS HB2 H 1 1.845 0.000 . 2 . . . A 71 LYS HB2 . 19372 1 717 . 1 1 71 71 LYS HB3 H 1 1.845 0.000 . 2 . . . A 71 LYS HB3 . 19372 1 718 . 1 1 71 71 LYS CA C 13 58.836 0.072 . 1 . . . A 71 LYS CA . 19372 1 719 . 1 1 71 71 LYS CB C 13 31.610 0.043 . 1 . . . A 71 LYS CB . 19372 1 720 . 1 1 71 71 LYS N N 15 119.708 0.008 . 1 . . . A 71 LYS N . 19372 1 721 . 1 1 72 72 ALA H H 1 7.902 0.003 . 1 . . . A 72 ALA H . 19372 1 722 . 1 1 72 72 ALA HA H 1 4.131 0.004 . 1 . . . A 72 ALA HA . 19372 1 723 . 1 1 72 72 ALA HB1 H 1 1.434 0.004 . 1 . . . A 72 ALA HB1 . 19372 1 724 . 1 1 72 72 ALA HB2 H 1 1.434 0.004 . 1 . . . A 72 ALA HB2 . 19372 1 725 . 1 1 72 72 ALA HB3 H 1 1.434 0.004 . 1 . . . A 72 ALA HB3 . 19372 1 726 . 1 1 72 72 ALA CA C 13 54.745 0.074 . 1 . . . A 72 ALA CA . 19372 1 727 . 1 1 72 72 ALA CB C 13 17.735 0.001 . 1 . . . A 72 ALA CB . 19372 1 728 . 1 1 72 72 ALA N N 15 122.287 0.017 . 1 . . . A 72 ALA N . 19372 1 729 . 1 1 73 73 HIS H H 1 8.458 0.011 . 1 . . . A 73 HIS H . 19372 1 730 . 1 1 73 73 HIS HA H 1 4.393 0.004 . 1 . . . A 73 HIS HA . 19372 1 731 . 1 1 73 73 HIS HB2 H 1 3.277 0.004 . 2 . . . A 73 HIS HB2 . 19372 1 732 . 1 1 73 73 HIS HB3 H 1 3.358 0.008 . 2 . . . A 73 HIS HB3 . 19372 1 733 . 1 1 73 73 HIS CA C 13 58.011 0.016 . 1 . . . A 73 HIS CA . 19372 1 734 . 1 1 73 73 HIS CB C 13 28.480 0.020 . 1 . . . A 73 HIS CB . 19372 1 735 . 1 1 73 73 HIS N N 15 118.207 0.037 . 1 . . . A 73 HIS N . 19372 1 736 . 1 1 74 74 GLU H H 1 8.226 0.010 . 1 . . . A 74 GLU H . 19372 1 737 . 1 1 74 74 GLU HA H 1 3.906 0.000 . 1 . . . A 74 GLU HA . 19372 1 738 . 1 1 74 74 GLU HB2 H 1 2.138 0.004 . 2 . . . A 74 GLU HB2 . 19372 1 739 . 1 1 74 74 GLU HB3 H 1 2.138 0.004 . 2 . . . A 74 GLU HB3 . 19372 1 740 . 1 1 74 74 GLU HG2 H 1 2.454 0.027 . 2 . . . A 74 GLU HG2 . 19372 1 741 . 1 1 74 74 GLU HG3 H 1 2.454 0.027 . 2 . . . A 74 GLU HG3 . 19372 1 742 . 1 1 74 74 GLU CA C 13 58.828 0.088 . 1 . . . A 74 GLU CA . 19372 1 743 . 1 1 74 74 GLU CB C 13 27.939 0.072 . 1 . . . A 74 GLU CB . 19372 1 744 . 1 1 74 74 GLU CG C 13 33.725 0.000 . 1 . . . A 74 GLU CG . 19372 1 745 . 1 1 74 74 GLU N N 15 119.264 0.048 . 1 . . . A 74 GLU N . 19372 1 746 . 1 1 75 75 GLU H H 1 7.919 0.001 . 1 . . . A 75 GLU H . 19372 1 747 . 1 1 75 75 GLU HA H 1 4.083 0.004 . 1 . . . A 75 GLU HA . 19372 1 748 . 1 1 75 75 GLU HB2 H 1 2.005 0.000 . 2 . . . A 75 GLU HB2 . 19372 1 749 . 1 1 75 75 GLU HB3 H 1 2.083 0.000 . 2 . . . A 75 GLU HB3 . 19372 1 750 . 1 1 75 75 GLU HG2 H 1 2.299 0.007 . 2 . . . A 75 GLU HG2 . 19372 1 751 . 1 1 75 75 GLU HG3 H 1 2.299 0.007 . 2 . . . A 75 GLU HG3 . 19372 1 752 . 1 1 75 75 GLU CA C 13 58.251 0.026 . 1 . . . A 75 GLU CA . 19372 1 753 . 1 1 75 75 GLU CB C 13 28.219 0.085 . 1 . . . A 75 GLU CB . 19372 1 754 . 1 1 75 75 GLU CG C 13 33.965 0.000 . 1 . . . A 75 GLU CG . 19372 1 755 . 1 1 75 75 GLU N N 15 122.303 0.005 . 1 . . . A 75 GLU N . 19372 1 756 . 1 1 76 76 ALA H H 1 7.671 0.007 . 1 . . . A 76 ALA H . 19372 1 757 . 1 1 76 76 ALA HA H 1 3.997 0.010 . 1 . . . A 76 ALA HA . 19372 1 758 . 1 1 76 76 ALA HB1 H 1 1.393 0.005 . 1 . . . A 76 ALA HB1 . 19372 1 759 . 1 1 76 76 ALA HB2 H 1 1.393 0.005 . 1 . . . A 76 ALA HB2 . 19372 1 760 . 1 1 76 76 ALA HB3 H 1 1.393 0.005 . 1 . . . A 76 ALA HB3 . 19372 1 761 . 1 1 76 76 ALA CA C 13 54.697 0.018 . 1 . . . A 76 ALA CA . 19372 1 762 . 1 1 76 76 ALA CB C 13 17.587 0.063 . 1 . . . A 76 ALA CB . 19372 1 763 . 1 1 76 76 ALA N N 15 121.624 0.067 . 1 . . . A 76 ALA N . 19372 1 764 . 1 1 77 77 VAL H H 1 8.045 0.005 . 1 . . . A 77 VAL H . 19372 1 765 . 1 1 77 77 VAL HA H 1 3.804 0.006 . 1 . . . A 77 VAL HA . 19372 1 766 . 1 1 77 77 VAL HB H 1 1.865 0.003 . 1 . . . A 77 VAL HB . 19372 1 767 . 1 1 77 77 VAL HG11 H 1 0.715 0.011 . 2 . . . A 77 VAL HG11 . 19372 1 768 . 1 1 77 77 VAL HG12 H 1 0.715 0.011 . 2 . . . A 77 VAL HG12 . 19372 1 769 . 1 1 77 77 VAL HG13 H 1 0.715 0.011 . 2 . . . A 77 VAL HG13 . 19372 1 770 . 1 1 77 77 VAL HG21 H 1 0.839 0.007 . 2 . . . A 77 VAL HG21 . 19372 1 771 . 1 1 77 77 VAL HG22 H 1 0.839 0.007 . 2 . . . A 77 VAL HG22 . 19372 1 772 . 1 1 77 77 VAL HG23 H 1 0.839 0.007 . 2 . . . A 77 VAL HG23 . 19372 1 773 . 1 1 77 77 VAL CA C 13 64.432 0.065 . 1 . . . A 77 VAL CA . 19372 1 774 . 1 1 77 77 VAL CB C 13 32.372 0.423 . 1 . . . A 77 VAL CB . 19372 1 775 . 1 1 77 77 VAL CG1 C 13 20.154 0.000 . 2 . . . A 77 VAL CG1 . 19372 1 776 . 1 1 77 77 VAL CG2 C 13 21.055 0.124 . 2 . . . A 77 VAL CG2 . 19372 1 777 . 1 1 77 77 VAL N N 15 119.173 0.000 . 1 . . . A 77 VAL N . 19372 1 778 . 1 1 78 78 ALA H H 1 8.138 0.000 . 1 . . . A 78 ALA H . 19372 1 779 . 1 1 78 78 ALA HA H 1 4.044 0.000 . 1 . . . A 78 ALA HA . 19372 1 780 . 1 1 78 78 ALA HB1 H 1 1.418 0.000 . 1 . . . A 78 ALA HB1 . 19372 1 781 . 1 1 78 78 ALA HB2 H 1 1.418 0.000 . 1 . . . A 78 ALA HB2 . 19372 1 782 . 1 1 78 78 ALA HB3 H 1 1.418 0.000 . 1 . . . A 78 ALA HB3 . 19372 1 783 . 1 1 78 78 ALA CA C 13 54.153 0.098 . 1 . . . A 78 ALA CA . 19372 1 784 . 1 1 78 78 ALA CB C 13 18.323 0.059 . 1 . . . A 78 ALA CB . 19372 1 785 . 1 1 78 78 ALA N N 15 126.902 0.000 . 1 . . . A 78 ALA N . 19372 1 786 . 1 1 79 79 LYS H H 1 7.198 0.011 . 1 . . . A 79 LYS H . 19372 1 787 . 1 1 79 79 LYS HA H 1 4.313 0.009 . 1 . . . A 79 LYS HA . 19372 1 788 . 1 1 79 79 LYS HB2 H 1 1.663 0.009 . 2 . . . A 79 LYS HB2 . 19372 1 789 . 1 1 79 79 LYS HB3 H 1 2.009 0.000 . 2 . . . A 79 LYS HB3 . 19372 1 790 . 1 1 79 79 LYS HG2 H 1 1.452 0.000 . 2 . . . A 79 LYS HG2 . 19372 1 791 . 1 1 79 79 LYS HG3 H 1 1.452 0.000 . 2 . . . A 79 LYS HG3 . 19372 1 792 . 1 1 79 79 LYS CA C 13 55.600 0.000 . 1 . . . A 79 LYS CA . 19372 1 793 . 1 1 79 79 LYS CB C 13 32.718 0.097 . 1 . . . A 79 LYS CB . 19372 1 794 . 1 1 79 79 LYS CG C 13 24.713 0.021 . 1 . . . A 79 LYS CG . 19372 1 795 . 1 1 79 79 LYS CD C 13 28.927 0.066 . 1 . . . A 79 LYS CD . 19372 1 796 . 1 1 79 79 LYS CE C 13 42.093 0.007 . 1 . . . A 79 LYS CE . 19372 1 797 . 1 1 79 79 LYS N N 15 114.908 0.049 . 1 . . . A 79 LYS N . 19372 1 798 . 1 1 80 80 MET H H 1 7.541 0.008 . 1 . . . A 80 MET H . 19372 1 799 . 1 1 80 80 MET HA H 1 4.418 0.011 . 1 . . . A 80 MET HA . 19372 1 800 . 1 1 80 80 MET HB2 H 1 2.045 0.016 . 2 . . . A 80 MET HB2 . 19372 1 801 . 1 1 80 80 MET HB3 H 1 2.764 0.011 . 2 . . . A 80 MET HB3 . 19372 1 802 . 1 1 80 80 MET HG2 H 1 2.482 0.013 . 2 . . . A 80 MET HG2 . 19372 1 803 . 1 1 80 80 MET HE1 H 1 1.831 0.000 . 1 . . . A 80 MET HE1 . 19372 1 804 . 1 1 80 80 MET HE2 H 1 1.831 0.000 . 1 . . . A 80 MET HE2 . 19372 1 805 . 1 1 80 80 MET HE3 H 1 1.831 0.000 . 1 . . . A 80 MET HE3 . 19372 1 806 . 1 1 80 80 MET CA C 13 56.500 0.000 . 1 . . . A 80 MET CA . 19372 1 807 . 1 1 80 80 MET CB C 13 33.887 0.083 . 1 . . . A 80 MET CB . 19372 1 808 . 1 1 80 80 MET CG C 13 33.782 0.018 . 1 . . . A 80 MET CG . 19372 1 809 . 1 1 80 80 MET CE C 13 17.959 0.000 . 1 . . . A 80 MET CE . 19372 1 810 . 1 1 80 80 MET N N 15 120.096 0.030 . 1 . . . A 80 MET N . 19372 1 811 . 1 1 81 81 THR H H 1 9.290 0.015 . 1 . . . A 81 THR H . 19372 1 812 . 1 1 81 81 THR HA H 1 4.346 0.019 . 1 . . . A 81 THR HA . 19372 1 813 . 1 1 81 81 THR HB H 1 4.469 0.005 . 1 . . . A 81 THR HB . 19372 1 814 . 1 1 81 81 THR HG21 H 1 1.118 0.004 . 1 . . . A 81 THR HG21 . 19372 1 815 . 1 1 81 81 THR HG22 H 1 1.118 0.004 . 1 . . . A 81 THR HG22 . 19372 1 816 . 1 1 81 81 THR HG23 H 1 1.118 0.004 . 1 . . . A 81 THR HG23 . 19372 1 817 . 1 1 81 81 THR CA C 13 61.327 0.018 . 1 . . . A 81 THR CA . 19372 1 818 . 1 1 81 81 THR CB C 13 68.579 0.105 . 1 . . . A 81 THR CB . 19372 1 819 . 1 1 81 81 THR CG2 C 13 21.575 0.110 . 1 . . . A 81 THR CG2 . 19372 1 820 . 1 1 81 81 THR N N 15 113.534 0.026 . 1 . . . A 81 THR N . 19372 1 821 . 1 1 82 82 PRO HA H 1 4.052 0.008 . 1 . . . A 82 PRO HA . 19372 1 822 . 1 1 82 82 PRO HB2 H 1 1.858 0.011 . 2 . . . A 82 PRO HB2 . 19372 1 823 . 1 1 82 82 PRO HB3 H 1 2.314 0.003 . 2 . . . A 82 PRO HB3 . 19372 1 824 . 1 1 82 82 PRO HG2 H 1 2.006 0.000 . 2 . . . A 82 PRO HG2 . 19372 1 825 . 1 1 82 82 PRO HG3 H 1 2.137 0.005 . 2 . . . A 82 PRO HG3 . 19372 1 826 . 1 1 82 82 PRO HD2 H 1 3.846 0.000 . 1 . . . A 82 PRO HD2 . 19372 1 827 . 1 1 82 82 PRO HD3 H 1 3.678 0.017 . 1 . . . A 82 PRO HD3 . 19372 1 828 . 1 1 82 82 PRO CA C 13 65.940 0.043 . 1 . . . A 82 PRO CA . 19372 1 829 . 1 1 82 82 PRO CB C 13 31.828 0.062 . 1 . . . A 82 PRO CB . 19372 1 830 . 1 1 82 82 PRO CG C 13 27.822 0.014 . 1 . . . A 82 PRO CG . 19372 1 831 . 1 1 82 82 PRO CD C 13 49.960 0.001 . 1 . . . A 82 PRO CD . 19372 1 832 . 1 1 83 83 GLU H H 1 8.662 0.004 . 1 . . . A 83 GLU H . 19372 1 833 . 1 1 83 83 GLU HA H 1 3.967 0.010 . 1 . . . A 83 GLU HA . 19372 1 834 . 1 1 83 83 GLU HB2 H 1 1.835 0.003 . 2 . . . A 83 GLU HB2 . 19372 1 835 . 1 1 83 83 GLU HB3 H 1 1.998 0.017 . 2 . . . A 83 GLU HB3 . 19372 1 836 . 1 1 83 83 GLU HG2 H 1 2.317 0.005 . 2 . . . A 83 GLU HG2 . 19372 1 837 . 1 1 83 83 GLU HG3 H 1 2.417 0.008 . 2 . . . A 83 GLU HG3 . 19372 1 838 . 1 1 83 83 GLU CA C 13 59.600 0.000 . 1 . . . A 83 GLU CA . 19372 1 839 . 1 1 83 83 GLU CB C 13 28.316 0.058 . 1 . . . A 83 GLU CB . 19372 1 840 . 1 1 83 83 GLU CG C 13 35.428 0.017 . 1 . . . A 83 GLU CG . 19372 1 841 . 1 1 83 83 GLU N N 15 116.084 0.037 . 1 . . . A 83 GLU N . 19372 1 842 . 1 1 84 84 ALA H H 1 7.695 0.004 . 1 . . . A 84 ALA H . 19372 1 843 . 1 1 84 84 ALA HA H 1 4.057 0.004 . 1 . . . A 84 ALA HA . 19372 1 844 . 1 1 84 84 ALA HB1 H 1 1.477 0.007 . 1 . . . A 84 ALA HB1 . 19372 1 845 . 1 1 84 84 ALA HB2 H 1 1.477 0.007 . 1 . . . A 84 ALA HB2 . 19372 1 846 . 1 1 84 84 ALA HB3 H 1 1.477 0.007 . 1 . . . A 84 ALA HB3 . 19372 1 847 . 1 1 84 84 ALA CA C 13 55.000 0.000 . 1 . . . A 84 ALA CA . 19372 1 848 . 1 1 84 84 ALA CB C 13 18.595 0.069 . 1 . . . A 84 ALA CB . 19372 1 849 . 1 1 84 84 ALA N N 15 124.175 0.025 . 1 . . . A 84 ALA N . 19372 1 850 . 1 1 85 85 LYS H H 1 8.529 0.009 . 1 . . . A 85 LYS H . 19372 1 851 . 1 1 85 85 LYS HA H 1 3.760 0.004 . 1 . . . A 85 LYS HA . 19372 1 852 . 1 1 85 85 LYS HB2 H 1 1.737 0.017 . 2 . . . A 85 LYS HB2 . 19372 1 853 . 1 1 85 85 LYS HB3 H 1 1.737 0.017 . 2 . . . A 85 LYS HB3 . 19372 1 854 . 1 1 85 85 LYS HG2 H 1 1.235 0.000 . 2 . . . A 85 LYS HG2 . 19372 1 855 . 1 1 85 85 LYS HG3 H 1 1.235 0.000 . 2 . . . A 85 LYS HG3 . 19372 1 856 . 1 1 85 85 LYS HD2 H 1 1.574 0.000 . 2 . . . A 85 LYS HD2 . 19372 1 857 . 1 1 85 85 LYS HD3 H 1 1.574 0.000 . 2 . . . A 85 LYS HD3 . 19372 1 858 . 1 1 85 85 LYS HE2 H 1 2.998 0.000 . 2 . . . A 85 LYS HE2 . 19372 1 859 . 1 1 85 85 LYS HE3 H 1 3.123 0.008 . 2 . . . A 85 LYS HE3 . 19372 1 860 . 1 1 85 85 LYS CA C 13 60.277 0.019 . 1 . . . A 85 LYS CA . 19372 1 861 . 1 1 85 85 LYS CB C 13 32.764 0.037 . 1 . . . A 85 LYS CB . 19372 1 862 . 1 1 85 85 LYS CG C 13 25.858 0.013 . 1 . . . A 85 LYS CG . 19372 1 863 . 1 1 85 85 LYS CD C 13 29.795 0.031 . 1 . . . A 85 LYS CD . 19372 1 864 . 1 1 85 85 LYS CE C 13 42.825 0.025 . 1 . . . A 85 LYS CE . 19372 1 865 . 1 1 85 85 LYS N N 15 118.796 0.035 . 1 . . . A 85 LYS N . 19372 1 866 . 1 1 86 86 LYS H H 1 7.835 0.007 . 1 . . . A 86 LYS H . 19372 1 867 . 1 1 86 86 LYS HA H 1 4.003 0.003 . 1 . . . A 86 LYS HA . 19372 1 868 . 1 1 86 86 LYS HB2 H 1 1.793 0.008 . 2 . . . A 86 LYS HB2 . 19372 1 869 . 1 1 86 86 LYS HB3 H 1 1.793 0.008 . 2 . . . A 86 LYS HB3 . 19372 1 870 . 1 1 86 86 LYS HG2 H 1 1.432 0.002 . 2 . . . A 86 LYS HG2 . 19372 1 871 . 1 1 86 86 LYS HG3 H 1 1.432 0.002 . 2 . . . A 86 LYS HG3 . 19372 1 872 . 1 1 86 86 LYS CA C 13 59.200 0.000 . 1 . . . A 86 LYS CA . 19372 1 873 . 1 1 86 86 LYS CB C 13 32.356 0.105 . 1 . . . A 86 LYS CB . 19372 1 874 . 1 1 86 86 LYS CG C 13 24.853 0.000 . 1 . . . A 86 LYS CG . 19372 1 875 . 1 1 86 86 LYS N N 15 119.995 0.069 . 1 . . . A 86 LYS N . 19372 1 876 . 1 1 87 87 ALA H H 1 7.564 0.013 . 1 . . . A 87 ALA H . 19372 1 877 . 1 1 87 87 ALA HA H 1 4.089 0.007 . 1 . . . A 87 ALA HA . 19372 1 878 . 1 1 87 87 ALA HB1 H 1 1.336 0.016 . 1 . . . A 87 ALA HB1 . 19372 1 879 . 1 1 87 87 ALA HB2 H 1 1.336 0.016 . 1 . . . A 87 ALA HB2 . 19372 1 880 . 1 1 87 87 ALA HB3 H 1 1.336 0.016 . 1 . . . A 87 ALA HB3 . 19372 1 881 . 1 1 87 87 ALA CA C 13 54.663 0.037 . 1 . . . A 87 ALA CA . 19372 1 882 . 1 1 87 87 ALA CB C 13 18.759 0.000 . 1 . . . A 87 ALA CB . 19372 1 883 . 1 1 87 87 ALA N N 15 121.918 0.022 . 1 . . . A 87 ALA N . 19372 1 884 . 1 1 88 88 ASP H H 1 8.819 0.006 . 1 . . . A 88 ASP H . 19372 1 885 . 1 1 88 88 ASP HA H 1 4.187 0.009 . 1 . . . A 88 ASP HA . 19372 1 886 . 1 1 88 88 ASP HB2 H 1 2.620 0.005 . 2 . . . A 88 ASP HB2 . 19372 1 887 . 1 1 88 88 ASP HB3 H 1 2.620 0.005 . 2 . . . A 88 ASP HB3 . 19372 1 888 . 1 1 88 88 ASP CA C 13 57.581 0.019 . 1 . . . A 88 ASP CA . 19372 1 889 . 1 1 88 88 ASP CB C 13 41.453 0.000 . 1 . . . A 88 ASP CB . 19372 1 890 . 1 1 88 88 ASP N N 15 116.921 0.053 . 1 . . . A 88 ASP N . 19372 1 891 . 1 1 89 89 ALA H H 1 7.993 0.004 . 1 . . . A 89 ALA H . 19372 1 892 . 1 1 89 89 ALA HA H 1 4.066 0.011 . 1 . . . A 89 ALA HA . 19372 1 893 . 1 1 89 89 ALA HB1 H 1 1.475 0.005 . 1 . . . A 89 ALA HB1 . 19372 1 894 . 1 1 89 89 ALA HB2 H 1 1.475 0.005 . 1 . . . A 89 ALA HB2 . 19372 1 895 . 1 1 89 89 ALA HB3 H 1 1.475 0.005 . 1 . . . A 89 ALA HB3 . 19372 1 896 . 1 1 89 89 ALA CA C 13 55.187 0.014 . 1 . . . A 89 ALA CA . 19372 1 897 . 1 1 89 89 ALA CB C 13 17.760 0.067 . 1 . . . A 89 ALA CB . 19372 1 898 . 1 1 89 89 ALA N N 15 122.006 0.010 . 1 . . . A 89 ALA N . 19372 1 899 . 1 1 90 90 GLU H H 1 7.748 0.004 . 1 . . . A 90 GLU H . 19372 1 900 . 1 1 90 90 GLU HA H 1 4.009 0.000 . 1 . . . A 90 GLU HA . 19372 1 901 . 1 1 90 90 GLU HB2 H 1 2.021 0.000 . 2 . . . A 90 GLU HB2 . 19372 1 902 . 1 1 90 90 GLU HB3 H 1 2.258 0.000 . 2 . . . A 90 GLU HB3 . 19372 1 903 . 1 1 90 90 GLU HG2 H 1 2.535 0.000 . 2 . . . A 90 GLU HG2 . 19372 1 904 . 1 1 90 90 GLU HG3 H 1 2.535 0.000 . 2 . . . A 90 GLU HG3 . 19372 1 905 . 1 1 90 90 GLU CA C 13 58.693 0.020 . 1 . . . A 90 GLU CA . 19372 1 906 . 1 1 90 90 GLU CB C 13 28.499 0.000 . 1 . . . A 90 GLU CB . 19372 1 907 . 1 1 90 90 GLU N N 15 118.271 0.023 . 1 . . . A 90 GLU N . 19372 1 908 . 1 1 91 91 LEU H H 1 8.433 0.013 . 1 . . . A 91 LEU H . 19372 1 909 . 1 1 91 91 LEU HA H 1 3.963 0.002 . 1 . . . A 91 LEU HA . 19372 1 910 . 1 1 91 91 LEU HB2 H 1 1.915 0.000 . 2 . . . A 91 LEU HB2 . 19372 1 911 . 1 1 91 91 LEU HB3 H 1 1.915 0.000 . 2 . . . A 91 LEU HB3 . 19372 1 912 . 1 1 91 91 LEU HD11 H 1 0.846 0.000 . 2 . . . A 91 LEU HD11 . 19372 1 913 . 1 1 91 91 LEU HD12 H 1 0.846 0.000 . 2 . . . A 91 LEU HD12 . 19372 1 914 . 1 1 91 91 LEU HD13 H 1 0.846 0.000 . 2 . . . A 91 LEU HD13 . 19372 1 915 . 1 1 91 91 LEU CA C 13 58.115 0.077 . 1 . . . A 91 LEU CA . 19372 1 916 . 1 1 91 91 LEU CB C 13 41.618 0.000 . 1 . . . A 91 LEU CB . 19372 1 917 . 1 1 91 91 LEU N N 15 120.597 0.011 . 1 . . . A 91 LEU N . 19372 1 918 . 1 1 92 92 SER H H 1 8.553 0.005 . 1 . . . A 92 SER H . 19372 1 919 . 1 1 92 92 SER HA H 1 4.029 0.004 . 1 . . . A 92 SER HA . 19372 1 920 . 1 1 92 92 SER HB2 H 1 3.750 0.004 . 2 . . . A 92 SER HB2 . 19372 1 921 . 1 1 92 92 SER HB3 H 1 3.880 0.002 . 2 . . . A 92 SER HB3 . 19372 1 922 . 1 1 92 92 SER CA C 13 61.657 0.005 . 1 . . . A 92 SER CA . 19372 1 923 . 1 1 92 92 SER CB C 13 62.726 0.036 . 1 . . . A 92 SER CB . 19372 1 924 . 1 1 92 92 SER N N 15 115.986 0.066 . 1 . . . A 92 SER N . 19372 1 925 . 1 1 93 93 LYS H H 1 7.466 0.004 . 1 . . . A 93 LYS H . 19372 1 926 . 1 1 93 93 LYS HA H 1 3.854 0.006 . 1 . . . A 93 LYS HA . 19372 1 927 . 1 1 93 93 LYS HB2 H 1 1.833 0.007 . 2 . . . A 93 LYS HB2 . 19372 1 928 . 1 1 93 93 LYS HB3 H 1 1.833 0.007 . 2 . . . A 93 LYS HB3 . 19372 1 929 . 1 1 93 93 LYS HG2 H 1 1.409 0.000 . 2 . . . A 93 LYS HG2 . 19372 1 930 . 1 1 93 93 LYS HG3 H 1 1.409 0.000 . 2 . . . A 93 LYS HG3 . 19372 1 931 . 1 1 93 93 LYS CA C 13 59.000 0.000 . 1 . . . A 93 LYS CA . 19372 1 932 . 1 1 93 93 LYS CB C 13 32.243 0.067 . 1 . . . A 93 LYS CB . 19372 1 933 . 1 1 93 93 LYS CG C 13 25.052 0.045 . 1 . . . A 93 LYS CG . 19372 1 934 . 1 1 93 93 LYS N N 15 120.638 0.024 . 1 . . . A 93 LYS N . 19372 1 935 . 1 1 94 94 ILE H H 1 7.157 0.003 . 1 . . . A 94 ILE H . 19372 1 936 . 1 1 94 94 ILE HA H 1 3.733 0.004 . 1 . . . A 94 ILE HA . 19372 1 937 . 1 1 94 94 ILE HB H 1 1.841 0.011 . 1 . . . A 94 ILE HB . 19372 1 938 . 1 1 94 94 ILE HG12 H 1 1.110 0.000 . 2 . . . A 94 ILE HG12 . 19372 1 939 . 1 1 94 94 ILE HG13 H 1 1.594 0.012 . 2 . . . A 94 ILE HG13 . 19372 1 940 . 1 1 94 94 ILE HG21 H 1 0.842 0.006 . 1 . . . A 94 ILE HG21 . 19372 1 941 . 1 1 94 94 ILE HG22 H 1 0.842 0.006 . 1 . . . A 94 ILE HG22 . 19372 1 942 . 1 1 94 94 ILE HG23 H 1 0.842 0.006 . 1 . . . A 94 ILE HG23 . 19372 1 943 . 1 1 94 94 ILE HD11 H 1 0.717 0.005 . 1 . . . A 94 ILE HD11 . 19372 1 944 . 1 1 94 94 ILE HD12 H 1 0.717 0.005 . 1 . . . A 94 ILE HD12 . 19372 1 945 . 1 1 94 94 ILE HD13 H 1 0.717 0.005 . 1 . . . A 94 ILE HD13 . 19372 1 946 . 1 1 94 94 ILE CA C 13 63.836 0.044 . 1 . . . A 94 ILE CA . 19372 1 947 . 1 1 94 94 ILE CB C 13 38.142 0.000 . 1 . . . A 94 ILE CB . 19372 1 948 . 1 1 94 94 ILE CG1 C 13 28.311 0.001 . 1 . . . A 94 ILE CG1 . 19372 1 949 . 1 1 94 94 ILE CG2 C 13 18.927 0.023 . 1 . . . A 94 ILE CG2 . 19372 1 950 . 1 1 94 94 ILE CD1 C 13 13.864 0.056 . 1 . . . A 94 ILE CD1 . 19372 1 951 . 1 1 94 94 ILE N N 15 118.236 0.046 . 1 . . . A 94 ILE N . 19372 1 952 . 1 1 95 95 ALA H H 1 7.829 0.012 . 1 . . . A 95 ALA H . 19372 1 953 . 1 1 95 95 ALA HA H 1 3.812 0.009 . 1 . . . A 95 ALA HA . 19372 1 954 . 1 1 95 95 ALA HB1 H 1 1.411 0.004 . 1 . . . A 95 ALA HB1 . 19372 1 955 . 1 1 95 95 ALA HB2 H 1 1.411 0.004 . 1 . . . A 95 ALA HB2 . 19372 1 956 . 1 1 95 95 ALA HB3 H 1 1.411 0.004 . 1 . . . A 95 ALA HB3 . 19372 1 957 . 1 1 95 95 ALA CA C 13 55.322 0.033 . 1 . . . A 95 ALA CA . 19372 1 958 . 1 1 95 95 ALA CB C 13 18.397 0.110 . 1 . . . A 95 ALA CB . 19372 1 959 . 1 1 95 95 ALA N N 15 119.817 0.023 . 1 . . . A 95 ALA N . 19372 1 960 . 1 1 96 96 GLU H H 1 7.550 0.003 . 1 . . . A 96 GLU H . 19372 1 961 . 1 1 96 96 GLU HA H 1 4.269 0.009 . 1 . . . A 96 GLU HA . 19372 1 962 . 1 1 96 96 GLU HB2 H 1 1.870 0.007 . 2 . . . A 96 GLU HB2 . 19372 1 963 . 1 1 96 96 GLU HB3 H 1 2.184 0.018 . 2 . . . A 96 GLU HB3 . 19372 1 964 . 1 1 96 96 GLU HG2 H 1 2.448 0.012 . 2 . . . A 96 GLU HG2 . 19372 1 965 . 1 1 96 96 GLU HG3 H 1 2.448 0.012 . 2 . . . A 96 GLU HG3 . 19372 1 966 . 1 1 96 96 GLU CA C 13 54.700 0.000 . 1 . . . A 96 GLU CA . 19372 1 967 . 1 1 96 96 GLU CB C 13 28.568 0.084 . 1 . . . A 96 GLU CB . 19372 1 968 . 1 1 96 96 GLU CG C 13 33.282 0.006 . 1 . . . A 96 GLU CG . 19372 1 969 . 1 1 96 96 GLU N N 15 113.237 0.046 . 1 . . . A 96 GLU N . 19372 1 970 . 1 1 97 97 ASP H H 1 7.272 0.005 . 1 . . . A 97 ASP H . 19372 1 971 . 1 1 97 97 ASP HA H 1 4.432 0.005 . 1 . . . A 97 ASP HA . 19372 1 972 . 1 1 97 97 ASP HB2 H 1 2.817 0.014 . 2 . . . A 97 ASP HB2 . 19372 1 973 . 1 1 97 97 ASP HB3 H 1 3.109 0.010 . 2 . . . A 97 ASP HB3 . 19372 1 974 . 1 1 97 97 ASP CA C 13 54.130 0.000 . 1 . . . A 97 ASP CA . 19372 1 975 . 1 1 97 97 ASP CB C 13 39.731 0.016 . 1 . . . A 97 ASP CB . 19372 1 976 . 1 1 97 97 ASP N N 15 120.540 0.021 . 1 . . . A 97 ASP N . 19372 1 977 . 1 1 98 98 ASP H H 1 8.542 0.007 . 1 . . . A 98 ASP H . 19372 1 978 . 1 1 98 98 ASP HA H 1 4.657 0.003 . 1 . . . A 98 ASP HA . 19372 1 979 . 1 1 98 98 ASP HB2 H 1 2.795 0.010 . 2 . . . A 98 ASP HB2 . 19372 1 980 . 1 1 98 98 ASP HB3 H 1 2.865 0.009 . 2 . . . A 98 ASP HB3 . 19372 1 981 . 1 1 98 98 ASP CA C 13 54.640 0.000 . 1 . . . A 98 ASP CA . 19372 1 982 . 1 1 98 98 ASP CB C 13 39.220 0.000 . 1 . . . A 98 ASP CB . 19372 1 983 . 1 1 98 98 ASP N N 15 125.783 0.022 . 1 . . . A 98 ASP N . 19372 1 984 . 1 1 99 99 SER H H 1 8.799 0.005 . 1 . . . A 99 SER H . 19372 1 985 . 1 1 99 99 SER HA H 1 4.401 0.012 . 1 . . . A 99 SER HA . 19372 1 986 . 1 1 99 99 SER HB2 H 1 3.799 0.008 . 2 . . . A 99 SER HB2 . 19372 1 987 . 1 1 99 99 SER HB3 H 1 3.910 0.004 . 2 . . . A 99 SER HB3 . 19372 1 988 . 1 1 99 99 SER CA C 13 59.404 0.039 . 1 . . . A 99 SER CA . 19372 1 989 . 1 1 99 99 SER CB C 13 64.033 0.075 . 1 . . . A 99 SER CB . 19372 1 990 . 1 1 99 99 SER N N 15 115.044 0.035 . 1 . . . A 99 SER N . 19372 1 991 . 1 1 100 100 LEU H H 1 7.105 0.005 . 1 . . . A 100 LEU H . 19372 1 992 . 1 1 100 100 LEU HA H 1 4.652 0.006 . 1 . . . A 100 LEU HA . 19372 1 993 . 1 1 100 100 LEU HB2 H 1 1.322 0.008 . 2 . . . A 100 LEU HB2 . 19372 1 994 . 1 1 100 100 LEU HB3 H 1 1.675 0.008 . 2 . . . A 100 LEU HB3 . 19372 1 995 . 1 1 100 100 LEU HG H 1 1.451 0.001 . 1 . . . A 100 LEU HG . 19372 1 996 . 1 1 100 100 LEU HD11 H 1 0.627 0.005 . 2 . . . A 100 LEU HD11 . 19372 1 997 . 1 1 100 100 LEU HD12 H 1 0.627 0.005 . 2 . . . A 100 LEU HD12 . 19372 1 998 . 1 1 100 100 LEU HD13 H 1 0.627 0.005 . 2 . . . A 100 LEU HD13 . 19372 1 999 . 1 1 100 100 LEU HD21 H 1 0.826 0.008 . 2 . . . A 100 LEU HD21 . 19372 1 1000 . 1 1 100 100 LEU HD22 H 1 0.826 0.008 . 2 . . . A 100 LEU HD22 . 19372 1 1001 . 1 1 100 100 LEU HD23 H 1 0.826 0.008 . 2 . . . A 100 LEU HD23 . 19372 1 1002 . 1 1 100 100 LEU CA C 13 52.837 0.003 . 1 . . . A 100 LEU CA . 19372 1 1003 . 1 1 100 100 LEU CB C 13 45.132 0.028 . 1 . . . A 100 LEU CB . 19372 1 1004 . 1 1 100 100 LEU CG C 13 26.827 0.027 . 1 . . . A 100 LEU CG . 19372 1 1005 . 1 1 100 100 LEU CD1 C 13 22.500 0.010 . 2 . . . A 100 LEU CD1 . 19372 1 1006 . 1 1 100 100 LEU CD2 C 13 26.794 0.054 . 2 . . . A 100 LEU CD2 . 19372 1 1007 . 1 1 100 100 LEU N N 15 121.409 0.030 . 1 . . . A 100 LEU N . 19372 1 1008 . 1 1 101 101 ASN H H 1 8.632 0.003 . 1 . . . A 101 ASN H . 19372 1 1009 . 1 1 101 101 ASN HA H 1 4.701 0.009 . 1 . . . A 101 ASN HA . 19372 1 1010 . 1 1 101 101 ASN HB2 H 1 2.544 0.002 . 2 . . . A 101 ASN HB2 . 19372 1 1011 . 1 1 101 101 ASN HB3 H 1 3.104 0.007 . 2 . . . A 101 ASN HB3 . 19372 1 1012 . 1 1 101 101 ASN CA C 13 51.205 0.014 . 1 . . . A 101 ASN CA . 19372 1 1013 . 1 1 101 101 ASN CB C 13 38.435 0.016 . 1 . . . A 101 ASN CB . 19372 1 1014 . 1 1 101 101 ASN N N 15 121.800 0.000 . 1 . . . A 101 ASN N . 19372 1 1015 . 1 1 102 102 GLY H H 1 8.687 0.015 . 1 . . . A 102 GLY H . 19372 1 1016 . 1 1 102 102 GLY HA2 H 1 3.660 0.007 . 2 . . . A 102 GLY HA2 . 19372 1 1017 . 1 1 102 102 GLY HA3 H 1 3.954 0.013 . 2 . . . A 102 GLY HA3 . 19372 1 1018 . 1 1 102 102 GLY CA C 13 48.004 0.016 . 1 . . . A 102 GLY CA . 19372 1 1019 . 1 1 102 102 GLY N N 15 105.125 0.029 . 1 . . . A 102 GLY N . 19372 1 1020 . 1 1 103 103 ILE H H 1 7.677 0.004 . 1 . . . A 103 ILE H . 19372 1 1021 . 1 1 103 103 ILE HA H 1 3.824 0.011 . 1 . . . A 103 ILE HA . 19372 1 1022 . 1 1 103 103 ILE HB H 1 1.858 0.014 . 1 . . . A 103 ILE HB . 19372 1 1023 . 1 1 103 103 ILE HG12 H 1 1.089 0.010 . 2 . . . A 103 ILE HG12 . 19372 1 1024 . 1 1 103 103 ILE HG13 H 1 1.455 0.011 . 2 . . . A 103 ILE HG13 . 19372 1 1025 . 1 1 103 103 ILE HG21 H 1 0.819 0.009 . 1 . . . A 103 ILE HG21 . 19372 1 1026 . 1 1 103 103 ILE HG22 H 1 0.819 0.009 . 1 . . . A 103 ILE HG22 . 19372 1 1027 . 1 1 103 103 ILE HG23 H 1 0.819 0.009 . 1 . . . A 103 ILE HG23 . 19372 1 1028 . 1 1 103 103 ILE HD11 H 1 0.759 0.005 . 1 . . . A 103 ILE HD11 . 19372 1 1029 . 1 1 103 103 ILE HD12 H 1 0.759 0.005 . 1 . . . A 103 ILE HD12 . 19372 1 1030 . 1 1 103 103 ILE HD13 H 1 0.759 0.005 . 1 . . . A 103 ILE HD13 . 19372 1 1031 . 1 1 103 103 ILE CA C 13 64.189 0.052 . 1 . . . A 103 ILE CA . 19372 1 1032 . 1 1 103 103 ILE CB C 13 38.158 0.000 . 1 . . . A 103 ILE CB . 19372 1 1033 . 1 1 103 103 ILE CG1 C 13 28.483 0.026 . 1 . . . A 103 ILE CG1 . 19372 1 1034 . 1 1 103 103 ILE CG2 C 13 17.241 0.048 . 1 . . . A 103 ILE CG2 . 19372 1 1035 . 1 1 103 103 ILE CD1 C 13 12.910 0.050 . 1 . . . A 103 ILE CD1 . 19372 1 1036 . 1 1 103 103 ILE N N 15 123.494 0.059 . 1 . . . A 103 ILE N . 19372 1 1037 . 1 1 104 104 GLN H H 1 8.428 0.003 . 1 . . . A 104 GLN H . 19372 1 1038 . 1 1 104 104 GLN HA H 1 4.018 0.010 . 1 . . . A 104 GLN HA . 19372 1 1039 . 1 1 104 104 GLN HB2 H 1 2.202 0.001 . 2 . . . A 104 GLN HB2 . 19372 1 1040 . 1 1 104 104 GLN HB3 H 1 2.276 0.018 . 2 . . . A 104 GLN HB3 . 19372 1 1041 . 1 1 104 104 GLN HG2 H 1 2.543 0.004 . 1 . . . A 104 GLN HG2 . 19372 1 1042 . 1 1 104 104 GLN HG3 H 1 2.543 0.004 . 1 . . . A 104 GLN HG3 . 19372 1 1043 . 1 1 104 104 GLN HE21 H 1 6.741 0.000 . 1 . . . A 104 GLN HE21 . 19372 1 1044 . 1 1 104 104 GLN HE22 H 1 7.438 0.000 . 1 . . . A 104 GLN HE22 . 19372 1 1045 . 1 1 104 104 GLN CA C 13 58.376 0.093 . 1 . . . A 104 GLN CA . 19372 1 1046 . 1 1 104 104 GLN CB C 13 28.031 0.000 . 1 . . . A 104 GLN CB . 19372 1 1047 . 1 1 104 104 GLN CG C 13 33.900 0.034 . 1 . . . A 104 GLN CG . 19372 1 1048 . 1 1 104 104 GLN N N 15 120.535 0.032 . 1 . . . A 104 GLN N . 19372 1 1049 . 1 1 104 104 GLN NE2 N 15 111.319 0.013 . 1 . . . A 104 GLN NE2 . 19372 1 1050 . 1 1 105 105 LYS H H 1 8.563 0.006 . 1 . . . A 105 LYS H . 19372 1 1051 . 1 1 105 105 LYS HA H 1 3.615 0.011 . 1 . . . A 105 LYS HA . 19372 1 1052 . 1 1 105 105 LYS HB2 H 1 1.569 0.008 . 2 . . . A 105 LYS HB2 . 19372 1 1053 . 1 1 105 105 LYS HB3 H 1 1.783 0.004 . 2 . . . A 105 LYS HB3 . 19372 1 1054 . 1 1 105 105 LYS HG2 H 1 1.221 0.000 . 2 . . . A 105 LYS HG2 . 19372 1 1055 . 1 1 105 105 LYS HG3 H 1 1.550 0.003 . 2 . . . A 105 LYS HG3 . 19372 1 1056 . 1 1 105 105 LYS CA C 13 60.525 0.011 . 1 . . . A 105 LYS CA . 19372 1 1057 . 1 1 105 105 LYS CB C 13 33.527 0.042 . 1 . . . A 105 LYS CB . 19372 1 1058 . 1 1 105 105 LYS CG C 13 26.705 0.029 . 1 . . . A 105 LYS CG . 19372 1 1059 . 1 1 105 105 LYS CE C 13 42.617 0.058 . 1 . . . A 105 LYS CE . 19372 1 1060 . 1 1 105 105 LYS N N 15 118.211 0.023 . 1 . . . A 105 LYS N . 19372 1 1061 . 1 1 106 106 ALA HA H 1 3.940 0.000 . 1 . . . A 106 ALA HA . 19372 1 1062 . 1 1 106 106 ALA HB1 H 1 1.316 0.000 . 1 . . . A 106 ALA HB1 . 19372 1 1063 . 1 1 106 106 ALA HB2 H 1 1.316 0.000 . 1 . . . A 106 ALA HB2 . 19372 1 1064 . 1 1 106 106 ALA HB3 H 1 1.316 0.000 . 1 . . . A 106 ALA HB3 . 19372 1 1065 . 1 1 106 106 ALA CA C 13 51.537 0.041 . 1 . . . A 106 ALA CA . 19372 1 1066 . 1 1 106 106 ALA CB C 13 19.300 0.000 . 1 . . . A 106 ALA CB . 19372 1 1067 . 1 1 107 107 GLN H H 1 8.666 0.000 . 1 . . . A 107 GLN H . 19372 1 1068 . 1 1 107 107 GLN HA H 1 4.556 0.020 . 1 . . . A 107 GLN HA . 19372 1 1069 . 1 1 107 107 GLN CA C 13 55.000 0.000 . 1 . . . A 107 GLN CA . 19372 1 1070 . 1 1 107 107 GLN CB C 13 28.769 0.181 . 1 . . . A 107 GLN CB . 19372 1 1071 . 1 1 107 107 GLN N N 15 117.717 0.000 . 1 . . . A 107 GLN N . 19372 1 1072 . 1 1 108 108 LYS H H 1 8.065 0.016 . 1 . . . A 108 LYS H . 19372 1 1073 . 1 1 108 108 LYS HA H 1 3.994 0.010 . 1 . . . A 108 LYS HA . 19372 1 1074 . 1 1 108 108 LYS HB2 H 1 1.875 0.000 . 2 . . . A 108 LYS HB2 . 19372 1 1075 . 1 1 108 108 LYS HB3 H 1 1.875 0.000 . 2 . . . A 108 LYS HB3 . 19372 1 1076 . 1 1 108 108 LYS CA C 13 59.519 0.062 . 1 . . . A 108 LYS CA . 19372 1 1077 . 1 1 108 108 LYS CB C 13 32.635 0.000 . 1 . . . A 108 LYS CB . 19372 1 1078 . 1 1 108 108 LYS N N 15 120.998 0.003 . 1 . . . A 108 LYS N . 19372 1 1079 . 1 1 109 109 ILE H H 1 8.560 0.006 . 1 . . . A 109 ILE H . 19372 1 1080 . 1 1 109 109 ILE HA H 1 3.493 0.006 . 1 . . . A 109 ILE HA . 19372 1 1081 . 1 1 109 109 ILE HB H 1 1.832 0.007 . 1 . . . A 109 ILE HB . 19372 1 1082 . 1 1 109 109 ILE HG12 H 1 0.950 0.004 . 1 . . . A 109 ILE HG12 . 19372 1 1083 . 1 1 109 109 ILE HG13 H 1 0.950 0.004 . 1 . . . A 109 ILE HG13 . 19372 1 1084 . 1 1 109 109 ILE HG21 H 1 0.775 0.015 . 1 . . . A 109 ILE HG21 . 19372 1 1085 . 1 1 109 109 ILE HG22 H 1 0.775 0.015 . 1 . . . A 109 ILE HG22 . 19372 1 1086 . 1 1 109 109 ILE HG23 H 1 0.775 0.015 . 1 . . . A 109 ILE HG23 . 19372 1 1087 . 1 1 109 109 ILE HD11 H 1 0.887 0.004 . 1 . . . A 109 ILE HD11 . 19372 1 1088 . 1 1 109 109 ILE HD12 H 1 0.887 0.004 . 1 . . . A 109 ILE HD12 . 19372 1 1089 . 1 1 109 109 ILE HD13 H 1 0.887 0.004 . 1 . . . A 109 ILE HD13 . 19372 1 1090 . 1 1 109 109 ILE CA C 13 65.669 0.047 . 1 . . . A 109 ILE CA . 19372 1 1091 . 1 1 109 109 ILE CB C 13 38.153 0.010 . 1 . . . A 109 ILE CB . 19372 1 1092 . 1 1 109 109 ILE CG1 C 13 30.465 0.006 . 1 . . . A 109 ILE CG1 . 19372 1 1093 . 1 1 109 109 ILE CG2 C 13 16.817 0.059 . 1 . . . A 109 ILE CG2 . 19372 1 1094 . 1 1 109 109 ILE CD1 C 13 13.298 0.000 . 1 . . . A 109 ILE CD1 . 19372 1 1095 . 1 1 109 109 ILE N N 15 120.913 0.019 . 1 . . . A 109 ILE N . 19372 1 1096 . 1 1 110 110 GLN H H 1 8.130 0.003 . 1 . . . A 110 GLN H . 19372 1 1097 . 1 1 110 110 GLN HA H 1 3.993 0.002 . 1 . . . A 110 GLN HA . 19372 1 1098 . 1 1 110 110 GLN HB2 H 1 2.099 0.007 . 2 . . . A 110 GLN HB2 . 19372 1 1099 . 1 1 110 110 GLN HB3 H 1 2.099 0.007 . 2 . . . A 110 GLN HB3 . 19372 1 1100 . 1 1 110 110 GLN HG2 H 1 2.407 0.000 . 2 . . . A 110 GLN HG2 . 19372 1 1101 . 1 1 110 110 GLN HG3 H 1 2.407 0.000 . 2 . . . A 110 GLN HG3 . 19372 1 1102 . 1 1 110 110 GLN CA C 13 58.900 0.000 . 1 . . . A 110 GLN CA . 19372 1 1103 . 1 1 110 110 GLN CB C 13 28.128 0.065 . 1 . . . A 110 GLN CB . 19372 1 1104 . 1 1 110 110 GLN CG C 13 34.067 0.033 . 1 . . . A 110 GLN CG . 19372 1 1105 . 1 1 110 110 GLN N N 15 118.820 0.054 . 1 . . . A 110 GLN N . 19372 1 1106 . 1 1 111 111 ALA H H 1 7.655 0.010 . 1 . . . A 111 ALA H . 19372 1 1107 . 1 1 111 111 ALA HA H 1 4.031 0.004 . 1 . . . A 111 ALA HA . 19372 1 1108 . 1 1 111 111 ALA HB1 H 1 1.448 0.003 . 1 . . . A 111 ALA HB1 . 19372 1 1109 . 1 1 111 111 ALA HB2 H 1 1.448 0.003 . 1 . . . A 111 ALA HB2 . 19372 1 1110 . 1 1 111 111 ALA HB3 H 1 1.448 0.003 . 1 . . . A 111 ALA HB3 . 19372 1 1111 . 1 1 111 111 ALA CA C 13 54.800 0.000 . 1 . . . A 111 ALA CA . 19372 1 1112 . 1 1 111 111 ALA CB C 13 17.970 0.038 . 1 . . . A 111 ALA CB . 19372 1 1113 . 1 1 111 111 ALA N N 15 120.358 0.025 . 1 . . . A 111 ALA N . 19372 1 1114 . 1 1 112 112 ILE H H 1 7.486 0.005 . 1 . . . A 112 ILE H . 19372 1 1115 . 1 1 112 112 ILE HA H 1 3.730 0.007 . 1 . . . A 112 ILE HA . 19372 1 1116 . 1 1 112 112 ILE HB H 1 1.804 0.015 . 1 . . . A 112 ILE HB . 19372 1 1117 . 1 1 112 112 ILE HG12 H 1 1.107 0.009 . 2 . . . A 112 ILE HG12 . 19372 1 1118 . 1 1 112 112 ILE HG13 H 1 1.541 0.004 . 2 . . . A 112 ILE HG13 . 19372 1 1119 . 1 1 112 112 ILE HG21 H 1 0.666 0.002 . 1 . . . A 112 ILE HG21 . 19372 1 1120 . 1 1 112 112 ILE HG22 H 1 0.666 0.002 . 1 . . . A 112 ILE HG22 . 19372 1 1121 . 1 1 112 112 ILE HG23 H 1 0.666 0.002 . 1 . . . A 112 ILE HG23 . 19372 1 1122 . 1 1 112 112 ILE HD11 H 1 0.680 0.009 . 1 . . . A 112 ILE HD11 . 19372 1 1123 . 1 1 112 112 ILE HD12 H 1 0.680 0.009 . 1 . . . A 112 ILE HD12 . 19372 1 1124 . 1 1 112 112 ILE HD13 H 1 0.680 0.009 . 1 . . . A 112 ILE HD13 . 19372 1 1125 . 1 1 112 112 ILE CA C 13 63.853 0.045 . 1 . . . A 112 ILE CA . 19372 1 1126 . 1 1 112 112 ILE CB C 13 38.161 0.000 . 1 . . . A 112 ILE CB . 19372 1 1127 . 1 1 112 112 ILE CG1 C 13 28.679 0.036 . 1 . . . A 112 ILE CG1 . 19372 1 1128 . 1 1 112 112 ILE CG2 C 13 16.638 0.050 . 1 . . . A 112 ILE CG2 . 19372 1 1129 . 1 1 112 112 ILE CD1 C 13 13.455 1.058 . 1 . . . A 112 ILE CD1 . 19372 1 1130 . 1 1 112 112 ILE N N 15 117.936 0.034 . 1 . . . A 112 ILE N . 19372 1 1131 . 1 1 113 113 TYR H H 1 8.601 0.008 . 1 . . . A 113 TYR H . 19372 1 1132 . 1 1 113 113 TYR HA H 1 3.887 0.004 . 1 . . . A 113 TYR HA . 19372 1 1133 . 1 1 113 113 TYR HB2 H 1 2.972 0.005 . 2 . . . A 113 TYR HB2 . 19372 1 1134 . 1 1 113 113 TYR HB3 H 1 2.972 0.005 . 2 . . . A 113 TYR HB3 . 19372 1 1135 . 1 1 113 113 TYR HD1 H 1 6.919 0.002 . 3 . . . A 113 TYR HD1 . 19372 1 1136 . 1 1 113 113 TYR HD2 H 1 6.919 0.002 . 3 . . . A 113 TYR HD2 . 19372 1 1137 . 1 1 113 113 TYR HE1 H 1 6.671 0.001 . 3 . . . A 113 TYR HE1 . 19372 1 1138 . 1 1 113 113 TYR HE2 H 1 6.671 0.001 . 3 . . . A 113 TYR HE2 . 19372 1 1139 . 1 1 113 113 TYR CA C 13 62.354 0.044 . 1 . . . A 113 TYR CA . 19372 1 1140 . 1 1 113 113 TYR CB C 13 38.513 0.019 . 1 . . . A 113 TYR CB . 19372 1 1141 . 1 1 113 113 TYR CD1 C 13 133.886 0.000 . 3 . . . A 113 TYR CD1 . 19372 1 1142 . 1 1 113 113 TYR CD2 C 13 133.886 0.000 . 3 . . . A 113 TYR CD2 . 19372 1 1143 . 1 1 113 113 TYR CE1 C 13 118.322 0.000 . 3 . . . A 113 TYR CE1 . 19372 1 1144 . 1 1 113 113 TYR CE2 C 13 118.322 0.000 . 3 . . . A 113 TYR CE2 . 19372 1 1145 . 1 1 113 113 TYR N N 15 121.429 0.051 . 1 . . . A 113 TYR N . 19372 1 1146 . 1 1 114 114 LYS H H 1 7.882 0.006 . 1 . . . A 114 LYS H . 19372 1 1147 . 1 1 114 114 LYS HA H 1 4.048 0.009 . 1 . . . A 114 LYS HA . 19372 1 1148 . 1 1 114 114 LYS HB2 H 1 1.903 0.001 . 2 . . . A 114 LYS HB2 . 19372 1 1149 . 1 1 114 114 LYS HB3 H 1 1.903 0.001 . 2 . . . A 114 LYS HB3 . 19372 1 1150 . 1 1 114 114 LYS HG2 H 1 1.506 0.000 . 2 . . . A 114 LYS HG2 . 19372 1 1151 . 1 1 114 114 LYS HG3 H 1 1.506 0.000 . 2 . . . A 114 LYS HG3 . 19372 1 1152 . 1 1 114 114 LYS CA C 13 58.800 0.000 . 1 . . . A 114 LYS CA . 19372 1 1153 . 1 1 114 114 LYS CB C 13 32.601 0.048 . 1 . . . A 114 LYS CB . 19372 1 1154 . 1 1 114 114 LYS CG C 13 25.041 0.000 . 1 . . . A 114 LYS CG . 19372 1 1155 . 1 1 114 114 LYS CE C 13 41.798 0.000 . 1 . . . A 114 LYS CE . 19372 1 1156 . 1 1 114 114 LYS N N 15 115.456 0.036 . 1 . . . A 114 LYS N . 19372 1 1157 . 1 1 115 115 THR H H 1 7.450 0.004 . 1 . . . A 115 THR H . 19372 1 1158 . 1 1 115 115 THR HA H 1 4.338 0.006 . 1 . . . A 115 THR HA . 19372 1 1159 . 1 1 115 115 THR HB H 1 4.368 0.011 . 1 . . . A 115 THR HB . 19372 1 1160 . 1 1 115 115 THR HG21 H 1 1.218 0.004 . 1 . . . A 115 THR HG21 . 19372 1 1161 . 1 1 115 115 THR HG22 H 1 1.218 0.004 . 1 . . . A 115 THR HG22 . 19372 1 1162 . 1 1 115 115 THR HG23 H 1 1.218 0.004 . 1 . . . A 115 THR HG23 . 19372 1 1163 . 1 1 115 115 THR CA C 13 61.624 0.012 . 1 . . . A 115 THR CA . 19372 1 1164 . 1 1 115 115 THR CB C 13 70.127 0.024 . 1 . . . A 115 THR CB . 19372 1 1165 . 1 1 115 115 THR CG2 C 13 21.576 0.046 . 1 . . . A 115 THR CG2 . 19372 1 1166 . 1 1 115 115 THR N N 15 106.935 0.017 . 1 . . . A 115 THR N . 19372 1 1167 . 1 1 116 116 LEU H H 1 7.238 0.012 . 1 . . . A 116 LEU H . 19372 1 1168 . 1 1 116 116 LEU HA H 1 4.498 0.007 . 1 . . . A 116 LEU HA . 19372 1 1169 . 1 1 116 116 LEU HB2 H 1 0.990 0.010 . 2 . . . A 116 LEU HB2 . 19372 1 1170 . 1 1 116 116 LEU HB3 H 1 1.554 0.007 . 2 . . . A 116 LEU HB3 . 19372 1 1171 . 1 1 116 116 LEU HG H 1 0.474 0.004 . 1 . . . A 116 LEU HG . 19372 1 1172 . 1 1 116 116 LEU HD11 H 1 0.491 0.006 . 2 . . . A 116 LEU HD11 . 19372 1 1173 . 1 1 116 116 LEU HD12 H 1 0.491 0.006 . 2 . . . A 116 LEU HD12 . 19372 1 1174 . 1 1 116 116 LEU HD13 H 1 0.491 0.006 . 2 . . . A 116 LEU HD13 . 19372 1 1175 . 1 1 116 116 LEU HD21 H 1 0.659 0.010 . 2 . . . A 116 LEU HD21 . 19372 1 1176 . 1 1 116 116 LEU HD22 H 1 0.659 0.010 . 2 . . . A 116 LEU HD22 . 19372 1 1177 . 1 1 116 116 LEU HD23 H 1 0.659 0.010 . 2 . . . A 116 LEU HD23 . 19372 1 1178 . 1 1 116 116 LEU CA C 13 52.733 0.040 . 1 . . . A 116 LEU CA . 19372 1 1179 . 1 1 116 116 LEU CB C 13 41.762 0.012 . 1 . . . A 116 LEU CB . 19372 1 1180 . 1 1 116 116 LEU CG C 13 26.202 0.029 . 1 . . . A 116 LEU CG . 19372 1 1181 . 1 1 116 116 LEU CD1 C 13 22.234 0.044 . 2 . . . A 116 LEU CD1 . 19372 1 1182 . 1 1 116 116 LEU CD2 C 13 22.234 0.044 . 2 . . . A 116 LEU CD2 . 19372 1 1183 . 1 1 116 116 LEU N N 15 123.049 0.067 . 1 . . . A 116 LEU N . 19372 1 1184 . 1 1 117 117 PRO HA H 1 4.482 0.006 . 1 . . . A 117 PRO HA . 19372 1 1185 . 1 1 117 117 PRO HB2 H 1 2.438 0.000 . 1 . . . A 117 PRO HB2 . 19372 1 1186 . 1 1 117 117 PRO HB3 H 1 1.831 0.000 . 1 . . . A 117 PRO HB3 . 19372 1 1187 . 1 1 117 117 PRO HG2 H 1 1.991 0.000 . 1 . . . A 117 PRO HG2 . 19372 1 1188 . 1 1 117 117 PRO HD2 H 1 3.282 0.010 . 1 . . . A 117 PRO HD2 . 19372 1 1189 . 1 1 117 117 PRO HD3 H 1 3.970 0.006 . 1 . . . A 117 PRO HD3 . 19372 1 1190 . 1 1 117 117 PRO CA C 13 62.190 0.020 . 1 . . . A 117 PRO CA . 19372 1 1191 . 1 1 117 117 PRO CB C 13 32.454 0.066 . 1 . . . A 117 PRO CB . 19372 1 1192 . 1 1 117 117 PRO CG C 13 27.569 0.025 . 1 . . . A 117 PRO CG . 19372 1 1193 . 1 1 117 117 PRO CD C 13 50.506 0.013 . 1 . . . A 117 PRO CD . 19372 1 1194 . 1 1 118 118 GLN H H 1 8.997 0.010 . 1 . . . A 118 GLN H . 19372 1 1195 . 1 1 118 118 GLN HA H 1 3.599 0.008 . 1 . . . A 118 GLN HA . 19372 1 1196 . 1 1 118 118 GLN HB2 H 1 1.948 0.012 . 2 . . . A 118 GLN HB2 . 19372 1 1197 . 1 1 118 118 GLN HB3 H 1 2.192 0.006 . 2 . . . A 118 GLN HB3 . 19372 1 1198 . 1 1 118 118 GLN HG2 H 1 2.265 0.009 . 2 . . . A 118 GLN HG2 . 19372 1 1199 . 1 1 118 118 GLN HG3 H 1 2.350 0.006 . 2 . . . A 118 GLN HG3 . 19372 1 1200 . 1 1 118 118 GLN HE21 H 1 6.933 0.004 . 2 . . . A 118 GLN HE21 . 19372 1 1201 . 1 1 118 118 GLN HE22 H 1 7.684 0.003 . 2 . . . A 118 GLN HE22 . 19372 1 1202 . 1 1 118 118 GLN CA C 13 58.914 0.086 . 1 . . . A 118 GLN CA . 19372 1 1203 . 1 1 118 118 GLN CB C 13 28.200 0.086 . 1 . . . A 118 GLN CB . 19372 1 1204 . 1 1 118 118 GLN CG C 13 33.227 0.032 . 1 . . . A 118 GLN CG . 19372 1 1205 . 1 1 118 118 GLN N N 15 124.699 0.020 . 1 . . . A 118 GLN N . 19372 1 1206 . 1 1 118 118 GLN NE2 N 15 115.783 0.066 . 1 . . . A 118 GLN NE2 . 19372 1 1207 . 1 1 119 119 SER H H 1 8.756 0.006 . 1 . . . A 119 SER H . 19372 1 1208 . 1 1 119 119 SER HA H 1 3.870 0.014 . 1 . . . A 119 SER HA . 19372 1 1209 . 1 1 119 119 SER HB2 H 1 4.055 0.007 . 2 . . . A 119 SER HB2 . 19372 1 1210 . 1 1 119 119 SER HB3 H 1 4.055 0.007 . 2 . . . A 119 SER HB3 . 19372 1 1211 . 1 1 119 119 SER CA C 13 61.300 0.000 . 1 . . . A 119 SER CA . 19372 1 1212 . 1 1 119 119 SER CB C 13 61.791 0.000 . 1 . . . A 119 SER CB . 19372 1 1213 . 1 1 119 119 SER N N 15 112.132 0.040 . 1 . . . A 119 SER N . 19372 1 1214 . 1 1 120 120 VAL H H 1 6.866 0.008 . 1 . . . A 120 VAL H . 19372 1 1215 . 1 1 120 120 VAL HA H 1 3.823 0.007 . 1 . . . A 120 VAL HA . 19372 1 1216 . 1 1 120 120 VAL HB H 1 1.971 0.008 . 1 . . . A 120 VAL HB . 19372 1 1217 . 1 1 120 120 VAL HG11 H 1 0.752 0.017 . 1 . . . A 120 VAL HG11 . 19372 1 1218 . 1 1 120 120 VAL HG12 H 1 0.752 0.017 . 1 . . . A 120 VAL HG12 . 19372 1 1219 . 1 1 120 120 VAL HG13 H 1 0.752 0.017 . 1 . . . A 120 VAL HG13 . 19372 1 1220 . 1 1 120 120 VAL HG21 H 1 0.876 0.010 . 1 . . . A 120 VAL HG21 . 19372 1 1221 . 1 1 120 120 VAL HG22 H 1 0.876 0.010 . 1 . . . A 120 VAL HG22 . 19372 1 1222 . 1 1 120 120 VAL HG23 H 1 0.876 0.010 . 1 . . . A 120 VAL HG23 . 19372 1 1223 . 1 1 120 120 VAL CA C 13 65.403 0.073 . 1 . . . A 120 VAL CA . 19372 1 1224 . 1 1 120 120 VAL CB C 13 31.735 0.060 . 1 . . . A 120 VAL CB . 19372 1 1225 . 1 1 120 120 VAL CG1 C 13 21.823 0.055 . 1 . . . A 120 VAL CG1 . 19372 1 1226 . 1 1 120 120 VAL CG2 C 13 22.988 0.073 . 1 . . . A 120 VAL CG2 . 19372 1 1227 . 1 1 120 120 VAL N N 15 123.339 0.039 . 1 . . . A 120 VAL N . 19372 1 1228 . 1 1 121 121 LYS H H 1 7.805 0.005 . 1 . . . A 121 LYS H . 19372 1 1229 . 1 1 121 121 LYS HA H 1 3.655 0.008 . 1 . . . A 121 LYS HA . 19372 1 1230 . 1 1 121 121 LYS HB2 H 1 1.790 0.004 . 2 . . . A 121 LYS HB2 . 19372 1 1231 . 1 1 121 121 LYS HB3 H 1 1.790 0.004 . 2 . . . A 121 LYS HB3 . 19372 1 1232 . 1 1 121 121 LYS HG2 H 1 1.530 0.000 . 2 . . . A 121 LYS HG2 . 19372 1 1233 . 1 1 121 121 LYS HG3 H 1 1.530 0.000 . 2 . . . A 121 LYS HG3 . 19372 1 1234 . 1 1 121 121 LYS HD2 H 1 1.264 0.013 . 2 . . . A 121 LYS HD2 . 19372 1 1235 . 1 1 121 121 LYS HD3 H 1 1.264 0.013 . 2 . . . A 121 LYS HD3 . 19372 1 1236 . 1 1 121 121 LYS CA C 13 61.064 0.040 . 1 . . . A 121 LYS CA . 19372 1 1237 . 1 1 121 121 LYS CB C 13 31.951 0.165 . 1 . . . A 121 LYS CB . 19372 1 1238 . 1 1 121 121 LYS CG C 13 26.568 0.002 . 1 . . . A 121 LYS CG . 19372 1 1239 . 1 1 121 121 LYS CD C 13 29.668 0.000 . 1 . . . A 121 LYS CD . 19372 1 1240 . 1 1 121 121 LYS N N 15 120.053 0.066 . 1 . . . A 121 LYS N . 19372 1 1241 . 1 1 122 122 ASP H H 1 8.520 0.004 . 1 . . . A 122 ASP H . 19372 1 1242 . 1 1 122 122 ASP HA H 1 4.295 0.006 . 1 . . . A 122 ASP HA . 19372 1 1243 . 1 1 122 122 ASP HB2 H 1 2.643 0.006 . 2 . . . A 122 ASP HB2 . 19372 1 1244 . 1 1 122 122 ASP HB3 H 1 2.771 0.008 . 2 . . . A 122 ASP HB3 . 19372 1 1245 . 1 1 122 122 ASP CA C 13 56.694 0.000 . 1 . . . A 122 ASP CA . 19372 1 1246 . 1 1 122 122 ASP CB C 13 39.047 0.000 . 1 . . . A 122 ASP CB . 19372 1 1247 . 1 1 122 122 ASP N N 15 117.269 0.017 . 1 . . . A 122 ASP N . 19372 1 1248 . 1 1 123 123 GLU H H 1 7.499 0.004 . 1 . . . A 123 GLU H . 19372 1 1249 . 1 1 123 123 GLU HA H 1 3.988 0.012 . 1 . . . A 123 GLU HA . 19372 1 1250 . 1 1 123 123 GLU HB2 H 1 2.223 0.000 . 1 . . . A 123 GLU HB2 . 19372 1 1251 . 1 1 123 123 GLU HB3 H 1 2.078 0.015 . 1 . . . A 123 GLU HB3 . 19372 1 1252 . 1 1 123 123 GLU HG2 H 1 2.212 0.008 . 2 . . . A 123 GLU HG2 . 19372 1 1253 . 1 1 123 123 GLU HG3 H 1 2.629 0.010 . 2 . . . A 123 GLU HG3 . 19372 1 1254 . 1 1 123 123 GLU CA C 13 59.663 0.064 . 1 . . . A 123 GLU CA . 19372 1 1255 . 1 1 123 123 GLU CB C 13 30.790 0.063 . 1 . . . A 123 GLU CB . 19372 1 1256 . 1 1 123 123 GLU CG C 13 36.254 0.012 . 1 . . . A 123 GLU CG . 19372 1 1257 . 1 1 123 123 GLU N N 15 119.790 0.026 . 1 . . . A 123 GLU N . 19372 1 1258 . 1 1 124 124 LEU H H 1 8.020 0.008 . 1 . . . A 124 LEU H . 19372 1 1259 . 1 1 124 124 LEU HA H 1 3.993 0.004 . 1 . . . A 124 LEU HA . 19372 1 1260 . 1 1 124 124 LEU HB2 H 1 1.509 0.008 . 1 . . . A 124 LEU HB2 . 19372 1 1261 . 1 1 124 124 LEU HB3 H 1 1.867 0.005 . 1 . . . A 124 LEU HB3 . 19372 1 1262 . 1 1 124 124 LEU HG H 1 0.719 0.011 . 1 . . . A 124 LEU HG . 19372 1 1263 . 1 1 124 124 LEU HD11 H 1 0.808 0.011 . 2 . . . A 124 LEU HD11 . 19372 1 1264 . 1 1 124 124 LEU HD12 H 1 0.808 0.011 . 2 . . . A 124 LEU HD12 . 19372 1 1265 . 1 1 124 124 LEU HD13 H 1 0.808 0.011 . 2 . . . A 124 LEU HD13 . 19372 1 1266 . 1 1 124 124 LEU HD21 H 1 0.808 0.011 . 2 . . . A 124 LEU HD21 . 19372 1 1267 . 1 1 124 124 LEU HD22 H 1 0.808 0.011 . 2 . . . A 124 LEU HD22 . 19372 1 1268 . 1 1 124 124 LEU HD23 H 1 0.808 0.011 . 2 . . . A 124 LEU HD23 . 19372 1 1269 . 1 1 124 124 LEU CA C 13 57.210 0.017 . 1 . . . A 124 LEU CA . 19372 1 1270 . 1 1 124 124 LEU CB C 13 41.597 0.025 . 1 . . . A 124 LEU CB . 19372 1 1271 . 1 1 124 124 LEU CG C 13 26.036 0.087 . 1 . . . A 124 LEU CG . 19372 1 1272 . 1 1 124 124 LEU CD1 C 13 22.545 0.068 . 2 . . . A 124 LEU CD1 . 19372 1 1273 . 1 1 124 124 LEU CD2 C 13 22.545 0.068 . 2 . . . A 124 LEU CD2 . 19372 1 1274 . 1 1 124 124 LEU N N 15 118.211 0.063 . 1 . . . A 124 LEU N . 19372 1 1275 . 1 1 125 125 GLU H H 1 8.060 0.004 . 1 . . . A 125 GLU H . 19372 1 1276 . 1 1 125 125 GLU HA H 1 4.018 0.005 . 1 . . . A 125 GLU HA . 19372 1 1277 . 1 1 125 125 GLU HB2 H 1 2.067 0.003 . 2 . . . A 125 GLU HB2 . 19372 1 1278 . 1 1 125 125 GLU HB3 H 1 2.067 0.003 . 2 . . . A 125 GLU HB3 . 19372 1 1279 . 1 1 125 125 GLU HG2 H 1 2.429 0.014 . 2 . . . A 125 GLU HG2 . 19372 1 1280 . 1 1 125 125 GLU HG3 H 1 2.429 0.014 . 2 . . . A 125 GLU HG3 . 19372 1 1281 . 1 1 125 125 GLU CA C 13 57.727 0.000 . 1 . . . A 125 GLU CA . 19372 1 1282 . 1 1 125 125 GLU CB C 13 28.412 0.034 . 1 . . . A 125 GLU CB . 19372 1 1283 . 1 1 125 125 GLU CG C 13 33.753 0.065 . 1 . . . A 125 GLU CG . 19372 1 1284 . 1 1 125 125 GLU N N 15 117.899 0.023 . 1 . . . A 125 GLU N . 19372 1 1285 . 1 1 126 126 LYS H H 1 7.657 0.004 . 1 . . . A 126 LYS H . 19372 1 1286 . 1 1 126 126 LYS HA H 1 4.101 0.011 . 1 . . . A 126 LYS HA . 19372 1 1287 . 1 1 126 126 LYS HB2 H 1 1.814 0.003 . 2 . . . A 126 LYS HB2 . 19372 1 1288 . 1 1 126 126 LYS HB3 H 1 1.814 0.003 . 2 . . . A 126 LYS HB3 . 19372 1 1289 . 1 1 126 126 LYS HG2 H 1 1.473 0.000 . 2 . . . A 126 LYS HG2 . 19372 1 1290 . 1 1 126 126 LYS HG3 H 1 1.473 0.000 . 2 . . . A 126 LYS HG3 . 19372 1 1291 . 1 1 126 126 LYS CA C 13 57.453 0.000 . 1 . . . A 126 LYS CA . 19372 1 1292 . 1 1 126 126 LYS CB C 13 32.551 0.028 . 1 . . . A 126 LYS CB . 19372 1 1293 . 1 1 126 126 LYS CG C 13 24.870 0.147 . 1 . . . A 126 LYS CG . 19372 1 1294 . 1 1 126 126 LYS CD C 13 28.937 0.000 . 1 . . . A 126 LYS CD . 19372 1 1295 . 1 1 126 126 LYS CE C 13 41.924 0.000 . 1 . . . A 126 LYS CE . 19372 1 1296 . 1 1 126 126 LYS N N 15 118.123 0.032 . 1 . . . A 126 LYS N . 19372 1 1297 . 1 1 127 127 GLY H H 1 7.880 0.006 . 1 . . . A 127 GLY H . 19372 1 1298 . 1 1 127 127 GLY HA2 H 1 3.629 0.012 . 2 . . . A 127 GLY HA2 . 19372 1 1299 . 1 1 127 127 GLY HA3 H 1 3.970 0.009 . 2 . . . A 127 GLY HA3 . 19372 1 1300 . 1 1 127 127 GLY CA C 13 45.447 0.027 . 1 . . . A 127 GLY CA . 19372 1 1301 . 1 1 127 127 GLY N N 15 106.728 0.032 . 1 . . . A 127 GLY N . 19372 1 1302 . 1 1 128 128 ILE H H 1 7.816 0.007 . 1 . . . A 128 ILE H . 19372 1 1303 . 1 1 128 128 ILE HA H 1 4.106 0.004 . 1 . . . A 128 ILE HA . 19372 1 1304 . 1 1 128 128 ILE HB H 1 1.799 0.009 . 1 . . . A 128 ILE HB . 19372 1 1305 . 1 1 128 128 ILE HG12 H 1 1.019 0.006 . 2 . . . A 128 ILE HG12 . 19372 1 1306 . 1 1 128 128 ILE HG13 H 1 1.334 0.007 . 2 . . . A 128 ILE HG13 . 19372 1 1307 . 1 1 128 128 ILE HG21 H 1 0.734 0.013 . 1 . . . A 128 ILE HG21 . 19372 1 1308 . 1 1 128 128 ILE HG22 H 1 0.734 0.013 . 1 . . . A 128 ILE HG22 . 19372 1 1309 . 1 1 128 128 ILE HG23 H 1 0.734 0.013 . 1 . . . A 128 ILE HG23 . 19372 1 1310 . 1 1 128 128 ILE HD11 H 1 0.686 0.006 . 1 . . . A 128 ILE HD11 . 19372 1 1311 . 1 1 128 128 ILE HD12 H 1 0.686 0.006 . 1 . . . A 128 ILE HD12 . 19372 1 1312 . 1 1 128 128 ILE HD13 H 1 0.686 0.006 . 1 . . . A 128 ILE HD13 . 19372 1 1313 . 1 1 128 128 ILE CA C 13 61.075 0.032 . 1 . . . A 128 ILE CA . 19372 1 1314 . 1 1 128 128 ILE CB C 13 38.968 0.008 . 1 . . . A 128 ILE CB . 19372 1 1315 . 1 1 128 128 ILE CG1 C 13 27.103 0.000 . 1 . . . A 128 ILE CG1 . 19372 1 1316 . 1 1 128 128 ILE CG2 C 13 17.606 0.023 . 1 . . . A 128 ILE CG2 . 19372 1 1317 . 1 1 128 128 ILE CD1 C 13 13.249 0.050 . 1 . . . A 128 ILE CD1 . 19372 1 1318 . 1 1 128 128 ILE N N 15 117.946 0.051 . 1 . . . A 128 ILE N . 19372 1 1319 . 1 1 129 129 GLY H H 1 7.950 0.005 . 1 . . . A 129 GLY H . 19372 1 1320 . 1 1 129 129 GLY HA2 H 1 3.968 0.011 . 2 . . . A 129 GLY HA2 . 19372 1 1321 . 1 1 129 129 GLY HA3 H 1 3.968 0.011 . 2 . . . A 129 GLY HA3 . 19372 1 1322 . 1 1 129 129 GLY CA C 13 44.442 0.041 . 1 . . . A 129 GLY CA . 19372 1 1323 . 1 1 129 129 GLY N N 15 111.473 0.052 . 1 . . . A 129 GLY N . 19372 1 1324 . 1 1 130 130 PRO HA H 1 4.283 0.004 . 1 . . . A 130 PRO HA . 19372 1 1325 . 1 1 130 130 PRO HB2 H 1 1.830 0.007 . 2 . . . A 130 PRO HB2 . 19372 1 1326 . 1 1 130 130 PRO HB3 H 1 2.136 0.001 . 2 . . . A 130 PRO HB3 . 19372 1 1327 . 1 1 130 130 PRO HD3 H 1 3.473 0.006 . 2 . . . A 130 PRO HD3 . 19372 1 1328 . 1 1 130 130 PRO CA C 13 62.850 0.122 . 1 . . . A 130 PRO CA . 19372 1 1329 . 1 1 130 130 PRO CB C 13 31.610 0.055 . 1 . . . A 130 PRO CB . 19372 1 1330 . 1 1 130 130 PRO CG C 13 27.087 0.064 . 1 . . . A 130 PRO CG . 19372 1 1331 . 1 1 130 130 PRO CD C 13 49.700 0.020 . 1 . . . A 130 PRO CD . 19372 1 1332 . 1 1 131 131 ALA H H 1 8.198 0.008 . 1 . . . A 131 ALA H . 19372 1 1333 . 1 1 131 131 ALA HA H 1 4.163 0.002 . 1 . . . A 131 ALA HA . 19372 1 1334 . 1 1 131 131 ALA HB1 H 1 1.203 0.009 . 1 . . . A 131 ALA HB1 . 19372 1 1335 . 1 1 131 131 ALA HB2 H 1 1.203 0.009 . 1 . . . A 131 ALA HB2 . 19372 1 1336 . 1 1 131 131 ALA HB3 H 1 1.203 0.009 . 1 . . . A 131 ALA HB3 . 19372 1 1337 . 1 1 131 131 ALA CA C 13 52.313 0.026 . 1 . . . A 131 ALA CA . 19372 1 1338 . 1 1 131 131 ALA CB C 13 19.000 0.000 . 1 . . . A 131 ALA CB . 19372 1 1339 . 1 1 131 131 ALA N N 15 123.923 0.052 . 1 . . . A 131 ALA N . 19372 1 1340 . 1 1 132 132 VAL H H 1 7.825 0.007 . 1 . . . A 132 VAL H . 19372 1 1341 . 1 1 132 132 VAL HA H 1 4.269 0.004 . 1 . . . A 132 VAL HA . 19372 1 1342 . 1 1 132 132 VAL HB H 1 1.911 0.011 . 1 . . . A 132 VAL HB . 19372 1 1343 . 1 1 132 132 VAL HG11 H 1 0.759 0.000 . 2 . . . A 132 VAL HG11 . 19372 1 1344 . 1 1 132 132 VAL HG12 H 1 0.759 0.000 . 2 . . . A 132 VAL HG12 . 19372 1 1345 . 1 1 132 132 VAL HG13 H 1 0.759 0.000 . 2 . . . A 132 VAL HG13 . 19372 1 1346 . 1 1 132 132 VAL HG21 H 1 0.804 0.003 . 2 . . . A 132 VAL HG21 . 19372 1 1347 . 1 1 132 132 VAL HG22 H 1 0.804 0.003 . 2 . . . A 132 VAL HG22 . 19372 1 1348 . 1 1 132 132 VAL HG23 H 1 0.804 0.003 . 2 . . . A 132 VAL HG23 . 19372 1 1349 . 1 1 132 132 VAL CA C 13 59.423 0.019 . 1 . . . A 132 VAL CA . 19372 1 1350 . 1 1 132 132 VAL CB C 13 32.560 0.037 . 1 . . . A 132 VAL CB . 19372 1 1351 . 1 1 132 132 VAL CG1 C 13 20.146 0.005 . 2 . . . A 132 VAL CG1 . 19372 1 1352 . 1 1 132 132 VAL CG2 C 13 21.040 0.085 . 2 . . . A 132 VAL CG2 . 19372 1 1353 . 1 1 132 132 VAL N N 15 119.517 0.108 . 1 . . . A 132 VAL N . 19372 1 1354 . 1 1 133 133 PRO HA H 1 4.275 0.008 . 1 . . . A 133 PRO HA . 19372 1 1355 . 1 1 133 133 PRO HB2 H 1 1.832 0.006 . 2 . . . A 133 PRO HB2 . 19372 1 1356 . 1 1 133 133 PRO HB3 H 1 2.141 0.003 . 2 . . . A 133 PRO HB3 . 19372 1 1357 . 1 1 133 133 PRO HG2 H 1 1.817 0.004 . 2 . . . A 133 PRO HG2 . 19372 1 1358 . 1 1 133 133 PRO HG3 H 1 1.915 0.006 . 2 . . . A 133 PRO HG3 . 19372 1 1359 . 1 1 133 133 PRO HD2 H 1 3.503 0.002 . 2 . . . A 133 PRO HD2 . 19372 1 1360 . 1 1 133 133 PRO HD3 H 1 3.712 0.003 . 2 . . . A 133 PRO HD3 . 19372 1 1361 . 1 1 133 133 PRO CA C 13 63.262 0.036 . 1 . . . A 133 PRO CA . 19372 1 1362 . 1 1 133 133 PRO CB C 13 31.829 0.082 . 1 . . . A 133 PRO CB . 19372 1 1363 . 1 1 133 133 PRO CG C 13 27.243 0.045 . 1 . . . A 133 PRO CG . 19372 1 1364 . 1 1 133 133 PRO CD C 13 50.823 0.014 . 1 . . . A 133 PRO CD . 19372 1 1365 . 1 1 134 134 GLN H H 1 8.017 0.003 . 1 . . . A 134 GLN H . 19372 1 1366 . 1 1 134 134 GLN HA H 1 4.121 0.000 . 1 . . . A 134 GLN HA . 19372 1 1367 . 1 1 134 134 GLN HB2 H 1 1.813 0.002 . 2 . . . A 134 GLN HB2 . 19372 1 1368 . 1 1 134 134 GLN HB3 H 1 2.023 0.001 . 2 . . . A 134 GLN HB3 . 19372 1 1369 . 1 1 134 134 GLN HG2 H 1 2.236 0.000 . 2 . . . A 134 GLN HG2 . 19372 1 1370 . 1 1 134 134 GLN HG3 H 1 2.236 0.000 . 2 . . . A 134 GLN HG3 . 19372 1 1371 . 1 1 134 134 GLN HE21 H 1 6.729 0.009 . 2 . . . A 134 GLN HE21 . 19372 1 1372 . 1 1 134 134 GLN HE22 H 1 7.459 0.010 . 2 . . . A 134 GLN HE22 . 19372 1 1373 . 1 1 134 134 GLN CA C 13 56.384 0.022 . 1 . . . A 134 GLN CA . 19372 1 1374 . 1 1 134 134 GLN CB C 13 30.352 0.065 . 1 . . . A 134 GLN CB . 19372 1 1375 . 1 1 134 134 GLN CG C 13 34.088 0.038 . 1 . . . A 134 GLN CG . 19372 1 1376 . 1 1 134 134 GLN N N 15 123.994 0.032 . 1 . . . A 134 GLN N . 19372 1 1377 . 1 1 134 134 GLN NE2 N 15 112.388 0.074 . 1 . . . A 134 GLN NE2 . 19372 1 stop_ save_