data_25028 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25028 _Entry.Title ; NMR structure of the hypotheical protein Lreu_0056 from Lactobacillus reuteri ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-18 _Entry.Accession_date 2014-06-18 _Entry.Last_release_date 2014-09-02 _Entry.Original_release_date 2014-09-02 _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 NMR' _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 Samit Dutta . K. . 25028 2 Pedro Serrano . . . 25028 3 Michael Geralt . . . 25028 4 Kurt Wuthrich . . . 25028 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 25028 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Joint Center for Structural Genomics' . 25028 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human gut microbiome secreted protein' . 25028 'Protein of unknown function' . 25028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 859 25028 '13C chemical shifts' 419 25028 '15N chemical shifts' 125 25028 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 . . 2014-09-02 2014-06-18 original author . 25028 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQD 'BMRB Entry Tracking System' 25028 BMRB 25026 'NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50' 25028 BMRB 25027 'NMR structure of the hypothetical protein BVU_0925 from Bacteroides vulgatus ATCC 8482' 25028 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25028 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the hypotheical protein Lreu_0056 from Lactobacillus reuteri' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Samit Dutta . K. . 25028 1 2 Pedro Serrano . . . 25028 1 3 Michael Geralt . . . 25028 1 4 Kurt Wuthrich . . . 25028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25028 _Assembly.ID 1 _Assembly.Name 'NMR structure of the hypotheical protein Lreu_0056 from Lactobacillus reuteri' _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 entity 1 $entity A . yes native no no . . . 25028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25028 _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 ; GHMKFTDQQIGVLAGLAISP EWLKQNIAANQLVYGIVKPS DTVPAGVDDYSYLVAADDQD GTIIFFKAEGQTVIIKYTSQ RNTKLKAKALTLSQLKKEFY QTRSQKREVDDYVAGLRTE ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13287.176 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP A5VHK8_LACRD . . . . . . . . . . . . . . . . 25028 1 2 no PDB 2MQD . "Nmr Structure Of The Hypotheical Protein Lreu_0056 From Lactobacillus Reuteri" . . . . . 100.00 119 100.00 100.00 6.09e-80 . . . . 25028 1 3 no GB ABQ82332 . "hypothetical protein Lreu_0056 [Lactobacillus reuteri DSM 20016]" . . . . . 97.48 160 100.00 100.00 1.62e-76 . . . . 25028 1 4 no GB AKP00282 . "hypothetical protein LRIRT_0057 [Lactobacillus reuteri]" . . . . . 97.48 160 100.00 100.00 1.62e-76 . . . . 25028 1 5 no GB EEI09009 . "hypothetical protein HMPREF0535_1297 [Lactobacillus reuteri MM2-3]" . . . . . 97.48 160 100.00 100.00 1.62e-76 . . . . 25028 1 6 no GB EGC14866 . "hypothetical protein HMPREF0536_12003 [Lactobacillus reuteri MM4-1A]" . . . . . 97.48 160 100.00 100.00 1.62e-76 . . . . 25028 1 7 no GB KRK50377 . "hypothetical protein FC53_GL000345 [Lactobacillus reuteri DSM 20016]" . . . . . 97.48 160 100.00 100.00 1.62e-76 . . . . 25028 1 8 no REF WP_003669575 . "hypothetical protein [Lactobacillus reuteri]" . . . . . 97.48 160 100.00 100.00 1.62e-76 . . . . 25028 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 19 GLY . 25028 1 2 20 HIS . 25028 1 3 21 MET . 25028 1 4 22 LYS . 25028 1 5 23 PHE . 25028 1 6 24 THR . 25028 1 7 25 ASP . 25028 1 8 26 GLN . 25028 1 9 27 GLN . 25028 1 10 28 ILE . 25028 1 11 29 GLY . 25028 1 12 30 VAL . 25028 1 13 31 LEU . 25028 1 14 32 ALA . 25028 1 15 33 GLY . 25028 1 16 34 LEU . 25028 1 17 35 ALA . 25028 1 18 36 ILE . 25028 1 19 37 SER . 25028 1 20 38 PRO . 25028 1 21 39 GLU . 25028 1 22 40 TRP . 25028 1 23 41 LEU . 25028 1 24 42 LYS . 25028 1 25 43 GLN . 25028 1 26 44 ASN . 25028 1 27 45 ILE . 25028 1 28 46 ALA . 25028 1 29 47 ALA . 25028 1 30 48 ASN . 25028 1 31 49 GLN . 25028 1 32 50 LEU . 25028 1 33 51 VAL . 25028 1 34 52 TYR . 25028 1 35 53 GLY . 25028 1 36 54 ILE . 25028 1 37 55 VAL . 25028 1 38 56 LYS . 25028 1 39 57 PRO . 25028 1 40 58 SER . 25028 1 41 59 ASP . 25028 1 42 60 THR . 25028 1 43 61 VAL . 25028 1 44 62 PRO . 25028 1 45 63 ALA . 25028 1 46 64 GLY . 25028 1 47 65 VAL . 25028 1 48 66 ASP . 25028 1 49 67 ASP . 25028 1 50 68 TYR . 25028 1 51 69 SER . 25028 1 52 70 TYR . 25028 1 53 71 LEU . 25028 1 54 72 VAL . 25028 1 55 73 ALA . 25028 1 56 74 ALA . 25028 1 57 75 ASP . 25028 1 58 76 ASP . 25028 1 59 77 GLN . 25028 1 60 78 ASP . 25028 1 61 79 GLY . 25028 1 62 80 THR . 25028 1 63 81 ILE . 25028 1 64 82 ILE . 25028 1 65 83 PHE . 25028 1 66 84 PHE . 25028 1 67 85 LYS . 25028 1 68 86 ALA . 25028 1 69 87 GLU . 25028 1 70 88 GLY . 25028 1 71 89 GLN . 25028 1 72 90 THR . 25028 1 73 91 VAL . 25028 1 74 92 ILE . 25028 1 75 93 ILE . 25028 1 76 94 LYS . 25028 1 77 95 TYR . 25028 1 78 96 THR . 25028 1 79 97 SER . 25028 1 80 98 GLN . 25028 1 81 99 ARG . 25028 1 82 100 ASN . 25028 1 83 101 THR . 25028 1 84 102 LYS . 25028 1 85 103 LEU . 25028 1 86 104 LYS . 25028 1 87 105 ALA . 25028 1 88 106 LYS . 25028 1 89 107 ALA . 25028 1 90 108 LEU . 25028 1 91 109 THR . 25028 1 92 110 LEU . 25028 1 93 111 SER . 25028 1 94 112 GLN . 25028 1 95 113 LEU . 25028 1 96 114 LYS . 25028 1 97 115 LYS . 25028 1 98 116 GLU . 25028 1 99 117 PHE . 25028 1 100 118 TYR . 25028 1 101 119 GLN . 25028 1 102 120 THR . 25028 1 103 121 ARG . 25028 1 104 122 SER . 25028 1 105 123 GLN . 25028 1 106 124 LYS . 25028 1 107 125 ARG . 25028 1 108 126 GLU . 25028 1 109 127 VAL . 25028 1 110 128 ASP . 25028 1 111 129 ASP . 25028 1 112 130 TYR . 25028 1 113 131 VAL . 25028 1 114 132 ALA . 25028 1 115 133 GLY . 25028 1 116 134 LEU . 25028 1 117 135 ARG . 25028 1 118 136 THR . 25028 1 119 137 GLU . 25028 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25028 1 . HIS 2 2 25028 1 . MET 3 3 25028 1 . LYS 4 4 25028 1 . PHE 5 5 25028 1 . THR 6 6 25028 1 . ASP 7 7 25028 1 . GLN 8 8 25028 1 . GLN 9 9 25028 1 . ILE 10 10 25028 1 . GLY 11 11 25028 1 . VAL 12 12 25028 1 . LEU 13 13 25028 1 . ALA 14 14 25028 1 . GLY 15 15 25028 1 . LEU 16 16 25028 1 . ALA 17 17 25028 1 . ILE 18 18 25028 1 . SER 19 19 25028 1 . PRO 20 20 25028 1 . GLU 21 21 25028 1 . TRP 22 22 25028 1 . LEU 23 23 25028 1 . LYS 24 24 25028 1 . GLN 25 25 25028 1 . ASN 26 26 25028 1 . ILE 27 27 25028 1 . ALA 28 28 25028 1 . ALA 29 29 25028 1 . ASN 30 30 25028 1 . GLN 31 31 25028 1 . LEU 32 32 25028 1 . VAL 33 33 25028 1 . TYR 34 34 25028 1 . GLY 35 35 25028 1 . ILE 36 36 25028 1 . VAL 37 37 25028 1 . LYS 38 38 25028 1 . PRO 39 39 25028 1 . SER 40 40 25028 1 . ASP 41 41 25028 1 . THR 42 42 25028 1 . VAL 43 43 25028 1 . PRO 44 44 25028 1 . ALA 45 45 25028 1 . GLY 46 46 25028 1 . VAL 47 47 25028 1 . ASP 48 48 25028 1 . ASP 49 49 25028 1 . TYR 50 50 25028 1 . SER 51 51 25028 1 . TYR 52 52 25028 1 . LEU 53 53 25028 1 . VAL 54 54 25028 1 . ALA 55 55 25028 1 . ALA 56 56 25028 1 . ASP 57 57 25028 1 . ASP 58 58 25028 1 . GLN 59 59 25028 1 . ASP 60 60 25028 1 . GLY 61 61 25028 1 . THR 62 62 25028 1 . ILE 63 63 25028 1 . ILE 64 64 25028 1 . PHE 65 65 25028 1 . PHE 66 66 25028 1 . LYS 67 67 25028 1 . ALA 68 68 25028 1 . GLU 69 69 25028 1 . GLY 70 70 25028 1 . GLN 71 71 25028 1 . THR 72 72 25028 1 . VAL 73 73 25028 1 . ILE 74 74 25028 1 . ILE 75 75 25028 1 . LYS 76 76 25028 1 . TYR 77 77 25028 1 . THR 78 78 25028 1 . SER 79 79 25028 1 . GLN 80 80 25028 1 . ARG 81 81 25028 1 . ASN 82 82 25028 1 . THR 83 83 25028 1 . LYS 84 84 25028 1 . LEU 85 85 25028 1 . LYS 86 86 25028 1 . ALA 87 87 25028 1 . LYS 88 88 25028 1 . ALA 89 89 25028 1 . LEU 90 90 25028 1 . THR 91 91 25028 1 . LEU 92 92 25028 1 . SER 93 93 25028 1 . GLN 94 94 25028 1 . LEU 95 95 25028 1 . LYS 96 96 25028 1 . LYS 97 97 25028 1 . GLU 98 98 25028 1 . PHE 99 99 25028 1 . TYR 100 100 25028 1 . GLN 101 101 25028 1 . THR 102 102 25028 1 . ARG 103 103 25028 1 . SER 104 104 25028 1 . GLN 105 105 25028 1 . LYS 106 106 25028 1 . ARG 107 107 25028 1 . GLU 108 108 25028 1 . VAL 109 109 25028 1 . ASP 110 110 25028 1 . ASP 111 111 25028 1 . TYR 112 112 25028 1 . VAL 113 113 25028 1 . ALA 114 114 25028 1 . GLY 115 115 25028 1 . LEU 116 116 25028 1 . ARG 117 117 25028 1 . THR 118 118 25028 1 . GLU 119 119 25028 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 25028 _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 . 1598 organism . 'Lactobacillus reuteri' firmicutes . . Bacteria . Lactobacillus reuteri . . . . . . . . . . . . . . . . . . . . . 25028 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 25028 _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 . . . . . . . . . . . . . . . SpeedET . . . . . . 25028 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25028 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25028 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25028 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25028 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25028 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25028 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25028 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 25028 _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 temperature 308 . K 25028 1 pH 6.0 . pH 25028 1 pressure 1 . atm 25028 1 'ionic strength' 0.0798 . M 25028 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25028 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 25028 1 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25028 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25028 1 refinement 25028 1 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 25028 _Software.ID 2 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 25028 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25028 2 'structure solution' 25028 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25028 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25028 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25028 3 processing 25028 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25028 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25028 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25028 4 'data analysis' 25028 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25028 _NMR_spectrometer.ID 2 _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 25028 _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 . 600 . . . 25028 1 2 spectrometer_2 Bruker Avance . 800 . . . 25028 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 25028 _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 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25028 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25028 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25028 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25028 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25028 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25028 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25028 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25028 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25028 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25028 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25028 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 25028 _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 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.125 _Assigned_chem_shift_list.Chem_shift_15N_err 0.160 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'APSY 4D-HACANH' . . . 25028 1 2 'APSY 5D-HACACONH' . . . 25028 1 3 'APSY 5D-CBCACONH' . . . 25028 1 5 '3D 1H-15N NOESY' . . . 25028 1 6 '3D 1H-13C NOESY aliphatic' . . . 25028 1 7 '3D 1H-13C NOESY aromatic' . . . 25028 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.865 0.006 . 1 . . . A 19 GLY QA . 25028 1 2 . 1 1 1 1 GLY HA3 H 1 3.865 0.006 . 1 . . . A 19 GLY QA . 25028 1 3 . 1 1 1 1 GLY CA C 13 43.399 0.125 . 1 . . . A 19 GLY CA . 25028 1 4 . 1 1 2 2 HIS HA H 1 4.723 0.006 . 1 . . . A 20 HIS HA . 25028 1 5 . 1 1 2 2 HIS HB2 H 1 3.116 0.006 . 2 . . . A 20 HIS HB2 . 25028 1 6 . 1 1 2 2 HIS HB3 H 1 3.196 0.006 . 2 . . . A 20 HIS HB3 . 25028 1 7 . 1 1 2 2 HIS HD2 H 1 7.127 0.006 . 1 . . . A 20 HIS HD2 . 25028 1 8 . 1 1 2 2 HIS HE1 H 1 8.061 0.006 . 1 . . . A 20 HIS HE1 . 25028 1 9 . 1 1 2 2 HIS CB C 13 30.663 0.125 . 1 . . . A 20 HIS CB . 25028 1 10 . 1 1 2 2 HIS CD2 C 13 119.507 0.125 . 1 . . . A 20 HIS CD2 . 25028 1 11 . 1 1 2 2 HIS CE1 C 13 137.682 0.125 . 1 . . . A 20 HIS CE1 . 25028 1 12 . 1 1 3 3 MET HE1 H 1 2.042 0.006 . 1 . . . A 21 MET QE . 25028 1 13 . 1 1 3 3 MET HE2 H 1 2.042 0.006 . 1 . . . A 21 MET QE . 25028 1 14 . 1 1 3 3 MET HE3 H 1 2.042 0.006 . 1 . . . A 21 MET QE . 25028 1 15 . 1 1 3 3 MET CE C 13 17.045 0.125 . 1 . . . A 21 MET CE . 25028 1 16 . 1 1 4 4 LYS HA H 1 4.400 0.006 . 1 . . . A 22 LYS HA . 25028 1 17 . 1 1 4 4 LYS HB2 H 1 1.699 0.006 . 2 . . . A 22 LYS HB2 . 25028 1 18 . 1 1 4 4 LYS HB3 H 1 1.799 0.006 . 2 . . . A 22 LYS HB3 . 25028 1 19 . 1 1 4 4 LYS HG2 H 1 1.412 0.006 . 1 . . . A 22 LYS QG . 25028 1 20 . 1 1 4 4 LYS HG3 H 1 1.412 0.006 . 1 . . . A 22 LYS QG . 25028 1 21 . 1 1 4 4 LYS HD2 H 1 1.700 0.006 . 1 . . . A 22 LYS QD . 25028 1 22 . 1 1 4 4 LYS HD3 H 1 1.700 0.006 . 1 . . . A 22 LYS QD . 25028 1 23 . 1 1 4 4 LYS HE2 H 1 3.026 0.006 . 1 . . . A 22 LYS QE . 25028 1 24 . 1 1 4 4 LYS HE3 H 1 3.026 0.006 . 1 . . . A 22 LYS QE . 25028 1 25 . 1 1 4 4 LYS CA C 13 55.186 0.125 . 1 . . . A 22 LYS CA . 25028 1 26 . 1 1 4 4 LYS CB C 13 33.126 0.125 . 1 . . . A 22 LYS CB . 25028 1 27 . 1 1 4 4 LYS CG C 13 24.347 0.125 . 1 . . . A 22 LYS CG . 25028 1 28 . 1 1 4 4 LYS CD C 13 28.975 0.125 . 1 . . . A 22 LYS CD . 25028 1 29 . 1 1 4 4 LYS CE C 13 42.014 0.125 . 1 . . . A 22 LYS CE . 25028 1 30 . 1 1 5 5 PHE H H 1 8.311 0.006 . 1 . . . A 23 PHE H . 25028 1 31 . 1 1 5 5 PHE HA H 1 4.925 0.006 . 1 . . . A 23 PHE HA . 25028 1 32 . 1 1 5 5 PHE HB2 H 1 2.744 0.006 . 2 . . . A 23 PHE HB2 . 25028 1 33 . 1 1 5 5 PHE HB3 H 1 3.144 0.006 . 2 . . . A 23 PHE HB3 . 25028 1 34 . 1 1 5 5 PHE HD1 H 1 7.071 0.006 . 1 . . . A 23 PHE QD . 25028 1 35 . 1 1 5 5 PHE HD2 H 1 7.071 0.006 . 1 . . . A 23 PHE QD . 25028 1 36 . 1 1 5 5 PHE HE1 H 1 6.830 0.006 . 1 . . . A 23 PHE QE . 25028 1 37 . 1 1 5 5 PHE HE2 H 1 6.830 0.006 . 1 . . . A 23 PHE QE . 25028 1 38 . 1 1 5 5 PHE CA C 13 56.900 0.125 . 1 . . . A 23 PHE CA . 25028 1 39 . 1 1 5 5 PHE CB C 13 41.042 0.125 . 1 . . . A 23 PHE CB . 25028 1 40 . 1 1 5 5 PHE CD1 C 13 130.849 0.125 . 3 . . . A 23 PHE CD1 . 25028 1 41 . 1 1 5 5 PHE CD2 C 13 130.850 0.125 . 3 . . . A 23 PHE CD2 . 25028 1 42 . 1 1 5 5 PHE CE1 C 13 130.497 0.125 . 3 . . . A 23 PHE CE1 . 25028 1 43 . 1 1 5 5 PHE CE2 C 13 130.500 0.125 . 3 . . . A 23 PHE CE2 . 25028 1 44 . 1 1 5 5 PHE N N 15 122.243 0.160 . 1 . . . A 23 PHE N . 25028 1 45 . 1 1 6 6 THR H H 1 9.105 0.006 . 1 . . . A 24 THR H . 25028 1 46 . 1 1 6 6 THR HA H 1 4.501 0.006 . 1 . . . A 24 THR HA . 25028 1 47 . 1 1 6 6 THR HB H 1 4.695 0.006 . 1 . . . A 24 THR HB . 25028 1 48 . 1 1 6 6 THR HG21 H 1 1.348 0.006 . 1 . . . A 24 THR QG2 . 25028 1 49 . 1 1 6 6 THR HG22 H 1 1.348 0.006 . 1 . . . A 24 THR QG2 . 25028 1 50 . 1 1 6 6 THR HG23 H 1 1.348 0.006 . 1 . . . A 24 THR QG2 . 25028 1 51 . 1 1 6 6 THR CA C 13 60.561 0.125 . 1 . . . A 24 THR CA . 25028 1 52 . 1 1 6 6 THR CB C 13 70.232 0.125 . 1 . . . A 24 THR CB . 25028 1 53 . 1 1 6 6 THR CG2 C 13 21.708 0.125 . 1 . . . A 24 THR CG2 . 25028 1 54 . 1 1 6 6 THR N N 15 113.539 0.160 . 1 . . . A 24 THR N . 25028 1 55 . 1 1 7 7 ASP H H 1 8.867 0.006 . 1 . . . A 25 ASP H . 25028 1 56 . 1 1 7 7 ASP HA H 1 4.587 0.006 . 1 . . . A 25 ASP HA . 25028 1 57 . 1 1 7 7 ASP HB2 H 1 2.770 0.006 . 1 . . . A 25 ASP QB . 25028 1 58 . 1 1 7 7 ASP HB3 H 1 2.770 0.006 . 1 . . . A 25 ASP QB . 25028 1 59 . 1 1 7 7 ASP CA C 13 57.955 0.125 . 1 . . . A 25 ASP CA . 25028 1 60 . 1 1 7 7 ASP CB C 13 41.297 0.125 . 1 . . . A 25 ASP CB . 25028 1 61 . 1 1 7 7 ASP N N 15 121.625 0.160 . 1 . . . A 25 ASP N . 25028 1 62 . 1 1 8 8 GLN H H 1 8.413 0.006 . 1 . . . A 26 GLN H . 25028 1 63 . 1 1 8 8 GLN HA H 1 3.467 0.006 . 1 . . . A 26 GLN HA . 25028 1 64 . 1 1 8 8 GLN HB2 H 1 1.784 0.006 . 2 . . . A 26 GLN HB2 . 25028 1 65 . 1 1 8 8 GLN HB3 H 1 1.522 0.006 . 2 . . . A 26 GLN HB3 . 25028 1 66 . 1 1 8 8 GLN HG2 H 1 1.593 0.006 . 2 . . . A 26 GLN HG2 . 25028 1 67 . 1 1 8 8 GLN HG3 H 1 1.259 0.006 . 2 . . . A 26 GLN HG3 . 25028 1 68 . 1 1 8 8 GLN HE21 H 1 6.279 0.006 . 2 . . . A 26 GLN HE21 . 25028 1 69 . 1 1 8 8 GLN HE22 H 1 6.775 0.006 . 2 . . . A 26 GLN HE22 . 25028 1 70 . 1 1 8 8 GLN CA C 13 60.067 0.125 . 1 . . . A 26 GLN CA . 25028 1 71 . 1 1 8 8 GLN CB C 13 27.801 0.125 . 1 . . . A 26 GLN CB . 25028 1 72 . 1 1 8 8 GLN CG C 13 33.384 0.125 . 1 . . . A 26 GLN CG . 25028 1 73 . 1 1 8 8 GLN N N 15 114.657 0.160 . 1 . . . A 26 GLN N . 25028 1 74 . 1 1 8 8 GLN NE2 N 15 109.292 0.160 . 1 . . . A 26 GLN NE2 . 25028 1 75 . 1 1 9 9 GLN H H 1 7.467 0.006 . 1 . . . A 27 GLN H . 25028 1 76 . 1 1 9 9 GLN HA H 1 3.586 0.006 . 1 . . . A 27 GLN HA . 25028 1 77 . 1 1 9 9 GLN HB2 H 1 1.521 0.006 . 2 . . . A 27 GLN HB2 . 25028 1 78 . 1 1 9 9 GLN HB3 H 1 2.415 0.006 . 2 . . . A 27 GLN HB3 . 25028 1 79 . 1 1 9 9 GLN HG2 H 1 2.411 0.006 . 2 . . . A 27 GLN HG2 . 25028 1 80 . 1 1 9 9 GLN HG3 H 1 2.107 0.006 . 2 . . . A 27 GLN HG3 . 25028 1 81 . 1 1 9 9 GLN HE21 H 1 6.502 0.006 . 2 . . . A 27 GLN HE21 . 25028 1 82 . 1 1 9 9 GLN HE22 H 1 7.916 0.006 . 2 . . . A 27 GLN HE22 . 25028 1 83 . 1 1 9 9 GLN CA C 13 59.090 0.125 . 1 . . . A 27 GLN CA . 25028 1 84 . 1 1 9 9 GLN CB C 13 29.406 0.125 . 1 . . . A 27 GLN CB . 25028 1 85 . 1 1 9 9 GLN CG C 13 35.218 0.125 . 1 . . . A 27 GLN CG . 25028 1 86 . 1 1 9 9 GLN N N 15 116.496 0.160 . 1 . . . A 27 GLN N . 25028 1 87 . 1 1 9 9 GLN NE2 N 15 112.398 0.160 . 1 . . . A 27 GLN NE2 . 25028 1 88 . 1 1 10 10 ILE H H 1 8.041 0.006 . 1 . . . A 28 ILE H . 25028 1 89 . 1 1 10 10 ILE HA H 1 3.114 0.006 . 1 . . . A 28 ILE HA . 25028 1 90 . 1 1 10 10 ILE HB H 1 2.079 0.006 . 1 . . . A 28 ILE HB . 25028 1 91 . 1 1 10 10 ILE HG12 H 1 1.799 0.006 . 2 . . . A 28 ILE HG12 . 25028 1 92 . 1 1 10 10 ILE HG13 H 1 0.837 0.006 . 2 . . . A 28 ILE HG13 . 25028 1 93 . 1 1 10 10 ILE HG21 H 1 0.739 0.006 . 1 . . . A 28 ILE QG2 . 25028 1 94 . 1 1 10 10 ILE HG22 H 1 0.739 0.006 . 1 . . . A 28 ILE QG2 . 25028 1 95 . 1 1 10 10 ILE HG23 H 1 0.739 0.006 . 1 . . . A 28 ILE QG2 . 25028 1 96 . 1 1 10 10 ILE HD11 H 1 0.842 0.006 . 1 . . . A 28 ILE QD1 . 25028 1 97 . 1 1 10 10 ILE HD12 H 1 0.842 0.006 . 1 . . . A 28 ILE QD1 . 25028 1 98 . 1 1 10 10 ILE HD13 H 1 0.842 0.006 . 1 . . . A 28 ILE QD1 . 25028 1 99 . 1 1 10 10 ILE CA C 13 65.138 0.125 . 1 . . . A 28 ILE CA . 25028 1 100 . 1 1 10 10 ILE CB C 13 36.427 0.125 . 1 . . . A 28 ILE CB . 25028 1 101 . 1 1 10 10 ILE CG1 C 13 29.215 0.125 . 1 . . . A 28 ILE CG1 . 25028 1 102 . 1 1 10 10 ILE CG2 C 13 18.209 0.125 . 1 . . . A 28 ILE CG2 . 25028 1 103 . 1 1 10 10 ILE CD1 C 13 12.809 0.125 . 1 . . . A 28 ILE CD1 . 25028 1 104 . 1 1 10 10 ILE N N 15 117.552 0.160 . 1 . . . A 28 ILE N . 25028 1 105 . 1 1 11 11 GLY H H 1 8.037 0.006 . 1 . . . A 29 GLY H . 25028 1 106 . 1 1 11 11 GLY HA2 H 1 1.945 0.006 . 2 . . . A 29 GLY HA2 . 25028 1 107 . 1 1 11 11 GLY HA3 H 1 2.902 0.006 . 2 . . . A 29 GLY HA3 . 25028 1 108 . 1 1 11 11 GLY CA C 13 47.622 0.125 . 1 . . . A 29 GLY CA . 25028 1 109 . 1 1 11 11 GLY N N 15 106.591 0.160 . 1 . . . A 29 GLY N . 25028 1 110 . 1 1 12 12 VAL H H 1 7.568 0.006 . 1 . . . A 30 VAL H . 25028 1 111 . 1 1 12 12 VAL HA H 1 3.426 0.006 . 1 . . . A 30 VAL HA . 25028 1 112 . 1 1 12 12 VAL HB H 1 1.993 0.006 . 1 . . . A 30 VAL HB . 25028 1 113 . 1 1 12 12 VAL HG11 H 1 0.967 0.006 . 2 . . . A 30 VAL QG1 . 25028 1 114 . 1 1 12 12 VAL HG12 H 1 0.967 0.006 . 2 . . . A 30 VAL QG1 . 25028 1 115 . 1 1 12 12 VAL HG13 H 1 0.967 0.006 . 2 . . . A 30 VAL QG1 . 25028 1 116 . 1 1 12 12 VAL HG21 H 1 1.088 0.006 . 2 . . . A 30 VAL QG2 . 25028 1 117 . 1 1 12 12 VAL HG22 H 1 1.088 0.006 . 2 . . . A 30 VAL QG2 . 25028 1 118 . 1 1 12 12 VAL HG23 H 1 1.088 0.006 . 2 . . . A 30 VAL QG2 . 25028 1 119 . 1 1 12 12 VAL CA C 13 66.485 0.125 . 1 . . . A 30 VAL CA . 25028 1 120 . 1 1 12 12 VAL CB C 13 30.756 0.125 . 1 . . . A 30 VAL CB . 25028 1 121 . 1 1 12 12 VAL CG1 C 13 24.017 0.125 . 2 . . . A 30 VAL CG1 . 25028 1 122 . 1 1 12 12 VAL CG2 C 13 22.788 0.125 . 2 . . . A 30 VAL CG2 . 25028 1 123 . 1 1 12 12 VAL N N 15 120.306 0.160 . 1 . . . A 30 VAL N . 25028 1 124 . 1 1 13 13 LEU H H 1 7.963 0.006 . 1 . . . A 31 LEU H . 25028 1 125 . 1 1 13 13 LEU HA H 1 3.606 0.006 . 1 . . . A 31 LEU HA . 25028 1 126 . 1 1 13 13 LEU HB2 H 1 1.140 0.006 . 2 . . . A 31 LEU HB2 . 25028 1 127 . 1 1 13 13 LEU HB3 H 1 1.806 0.006 . 2 . . . A 31 LEU HB3 . 25028 1 128 . 1 1 13 13 LEU HG H 1 1.672 0.006 . 1 . . . A 31 LEU HG . 25028 1 129 . 1 1 13 13 LEU HD11 H 1 0.718 0.006 . 2 . . . A 31 LEU QD1 . 25028 1 130 . 1 1 13 13 LEU HD12 H 1 0.718 0.006 . 2 . . . A 31 LEU QD1 . 25028 1 131 . 1 1 13 13 LEU HD13 H 1 0.718 0.006 . 2 . . . A 31 LEU QD1 . 25028 1 132 . 1 1 13 13 LEU HD21 H 1 0.110 0.006 . 2 . . . A 31 LEU QD2 . 25028 1 133 . 1 1 13 13 LEU HD22 H 1 0.110 0.006 . 2 . . . A 31 LEU QD2 . 25028 1 134 . 1 1 13 13 LEU HD23 H 1 0.110 0.006 . 2 . . . A 31 LEU QD2 . 25028 1 135 . 1 1 13 13 LEU CA C 13 57.816 0.125 . 1 . . . A 31 LEU CA . 25028 1 136 . 1 1 13 13 LEU CB C 13 41.400 0.125 . 1 . . . A 31 LEU CB . 25028 1 137 . 1 1 13 13 LEU CG C 13 25.938 0.125 . 1 . . . A 31 LEU CG . 25028 1 138 . 1 1 13 13 LEU CD1 C 13 24.475 0.125 . 2 . . . A 31 LEU CD1 . 25028 1 139 . 1 1 13 13 LEU CD2 C 13 24.794 0.125 . 2 . . . A 31 LEU CD2 . 25028 1 140 . 1 1 13 13 LEU N N 15 118.649 0.160 . 1 . . . A 31 LEU N . 25028 1 141 . 1 1 14 14 ALA H H 1 8.475 0.006 . 1 . . . A 32 ALA H . 25028 1 142 . 1 1 14 14 ALA HA H 1 3.669 0.006 . 1 . . . A 32 ALA HA . 25028 1 143 . 1 1 14 14 ALA HB1 H 1 1.018 0.006 . 1 . . . A 32 ALA QB . 25028 1 144 . 1 1 14 14 ALA HB2 H 1 1.018 0.006 . 1 . . . A 32 ALA QB . 25028 1 145 . 1 1 14 14 ALA HB3 H 1 1.018 0.006 . 1 . . . A 32 ALA QB . 25028 1 146 . 1 1 14 14 ALA CA C 13 54.521 0.125 . 1 . . . A 32 ALA CA . 25028 1 147 . 1 1 14 14 ALA CB C 13 17.127 0.125 . 1 . . . A 32 ALA CB . 25028 1 148 . 1 1 14 14 ALA N N 15 119.061 0.160 . 1 . . . A 32 ALA N . 25028 1 149 . 1 1 15 15 GLY H H 1 8.555 0.006 . 1 . . . A 33 GLY H . 25028 1 150 . 1 1 15 15 GLY HA2 H 1 3.517 0.006 . 2 . . . A 33 GLY HA2 . 25028 1 151 . 1 1 15 15 GLY HA3 H 1 3.412 0.006 . 2 . . . A 33 GLY HA3 . 25028 1 152 . 1 1 15 15 GLY CA C 13 47.122 0.125 . 1 . . . A 33 GLY CA . 25028 1 153 . 1 1 15 15 GLY N N 15 104.030 0.160 . 1 . . . A 33 GLY N . 25028 1 154 . 1 1 16 16 LEU H H 1 8.311 0.006 . 1 . . . A 34 LEU H . 25028 1 155 . 1 1 16 16 LEU HA H 1 3.627 0.006 . 1 . . . A 34 LEU HA . 25028 1 156 . 1 1 16 16 LEU HB2 H 1 1.159 0.006 . 2 . . . A 34 LEU HB2 . 25028 1 157 . 1 1 16 16 LEU HB3 H 1 0.395 0.006 . 2 . . . A 34 LEU HB3 . 25028 1 158 . 1 1 16 16 LEU HG H 1 1.697 0.006 . 1 . . . A 34 LEU HG . 25028 1 159 . 1 1 16 16 LEU HD11 H 1 0.759 0.006 . 2 . . . A 34 LEU QD1 . 25028 1 160 . 1 1 16 16 LEU HD12 H 1 0.759 0.006 . 2 . . . A 34 LEU QD1 . 25028 1 161 . 1 1 16 16 LEU HD13 H 1 0.759 0.006 . 2 . . . A 34 LEU QD1 . 25028 1 162 . 1 1 16 16 LEU HD21 H 1 0.780 0.006 . 2 . . . A 34 LEU QD2 . 25028 1 163 . 1 1 16 16 LEU HD22 H 1 0.780 0.006 . 2 . . . A 34 LEU QD2 . 25028 1 164 . 1 1 16 16 LEU HD23 H 1 0.780 0.006 . 2 . . . A 34 LEU QD2 . 25028 1 165 . 1 1 16 16 LEU CA C 13 56.883 0.125 . 1 . . . A 34 LEU CA . 25028 1 166 . 1 1 16 16 LEU CB C 13 39.666 0.125 . 1 . . . A 34 LEU CB . 25028 1 167 . 1 1 16 16 LEU CG C 13 26.032 0.125 . 1 . . . A 34 LEU CG . 25028 1 168 . 1 1 16 16 LEU CD1 C 13 26.489 0.125 . 2 . . . A 34 LEU CD1 . 25028 1 169 . 1 1 16 16 LEU CD2 C 13 22.532 0.125 . 2 . . . A 34 LEU CD2 . 25028 1 170 . 1 1 16 16 LEU N N 15 122.259 0.160 . 1 . . . A 34 LEU N . 25028 1 171 . 1 1 17 17 ALA H H 1 7.420 0.006 . 1 . . . A 35 ALA H . 25028 1 172 . 1 1 17 17 ALA HA H 1 4.180 0.006 . 1 . . . A 35 ALA HA . 25028 1 173 . 1 1 17 17 ALA HB1 H 1 1.407 0.006 . 1 . . . A 35 ALA QB . 25028 1 174 . 1 1 17 17 ALA HB2 H 1 1.407 0.006 . 1 . . . A 35 ALA QB . 25028 1 175 . 1 1 17 17 ALA HB3 H 1 1.407 0.006 . 1 . . . A 35 ALA QB . 25028 1 176 . 1 1 17 17 ALA CA C 13 53.490 0.125 . 1 . . . A 35 ALA CA . 25028 1 177 . 1 1 17 17 ALA CB C 13 18.220 0.125 . 1 . . . A 35 ALA CB . 25028 1 178 . 1 1 17 17 ALA N N 15 118.306 0.160 . 1 . . . A 35 ALA N . 25028 1 179 . 1 1 18 18 ILE H H 1 7.525 0.006 . 1 . . . A 36 ILE H . 25028 1 180 . 1 1 18 18 ILE HA H 1 4.090 0.006 . 1 . . . A 36 ILE HA . 25028 1 181 . 1 1 18 18 ILE HB H 1 1.623 0.006 . 1 . . . A 36 ILE HB . 25028 1 182 . 1 1 18 18 ILE HG12 H 1 0.871 0.006 . 2 . . . A 36 ILE HG12 . 25028 1 183 . 1 1 18 18 ILE HG13 H 1 1.598 0.006 . 2 . . . A 36 ILE HG13 . 25028 1 184 . 1 1 18 18 ILE HG21 H 1 0.168 0.006 . 1 . . . A 36 ILE QG2 . 25028 1 185 . 1 1 18 18 ILE HG22 H 1 0.168 0.006 . 1 . . . A 36 ILE QG2 . 25028 1 186 . 1 1 18 18 ILE HG23 H 1 0.168 0.006 . 1 . . . A 36 ILE QG2 . 25028 1 187 . 1 1 18 18 ILE HD11 H 1 0.283 0.006 . 1 . . . A 36 ILE QD1 . 25028 1 188 . 1 1 18 18 ILE HD12 H 1 0.283 0.006 . 1 . . . A 36 ILE QD1 . 25028 1 189 . 1 1 18 18 ILE HD13 H 1 0.283 0.006 . 1 . . . A 36 ILE QD1 . 25028 1 190 . 1 1 18 18 ILE CA C 13 59.745 0.125 . 1 . . . A 36 ILE CA . 25028 1 191 . 1 1 18 18 ILE CB C 13 38.291 0.125 . 1 . . . A 36 ILE CB . 25028 1 192 . 1 1 18 18 ILE CG1 C 13 26.697 0.125 . 1 . . . A 36 ILE CG1 . 25028 1 193 . 1 1 18 18 ILE CG2 C 13 16.775 0.125 . 1 . . . A 36 ILE CG2 . 25028 1 194 . 1 1 18 18 ILE CD1 C 13 9.603 0.125 . 1 . . . A 36 ILE CD1 . 25028 1 195 . 1 1 18 18 ILE N N 15 115.306 0.160 . 1 . . . A 36 ILE N . 25028 1 196 . 1 1 19 19 SER H H 1 8.653 0.006 . 1 . . . A 37 SER H . 25028 1 197 . 1 1 19 19 SER HA H 1 4.878 0.006 . 1 . . . A 37 SER HA . 25028 1 198 . 1 1 19 19 SER HB2 H 1 4.057 0.006 . 2 . . . A 37 SER HB2 . 25028 1 199 . 1 1 19 19 SER HB3 H 1 3.445 0.006 . 2 . . . A 37 SER HB3 . 25028 1 200 . 1 1 19 19 SER CA C 13 55.537 0.125 . 1 . . . A 37 SER CA . 25028 1 201 . 1 1 19 19 SER CB C 13 62.860 0.125 . 1 . . . A 37 SER CB . 25028 1 202 . 1 1 19 19 SER N N 15 113.672 0.160 . 1 . . . A 37 SER N . 25028 1 203 . 1 1 20 20 PRO HA H 1 4.104 0.006 . 1 . . . A 38 PRO HA . 25028 1 204 . 1 1 20 20 PRO HB2 H 1 2.703 0.006 . 2 . . . A 38 PRO HB2 . 25028 1 205 . 1 1 20 20 PRO HB3 H 1 2.028 0.006 . 2 . . . A 38 PRO HB3 . 25028 1 206 . 1 1 20 20 PRO HG2 H 1 2.321 0.006 . 2 . . . A 38 PRO HG2 . 25028 1 207 . 1 1 20 20 PRO HG3 H 1 2.252 0.006 . 2 . . . A 38 PRO HG3 . 25028 1 208 . 1 1 20 20 PRO HD2 H 1 3.452 0.006 . 2 . . . A 38 PRO HD2 . 25028 1 209 . 1 1 20 20 PRO HD3 H 1 3.805 0.006 . 2 . . . A 38 PRO HD3 . 25028 1 210 . 1 1 20 20 PRO CA C 13 65.195 0.125 . 1 . . . A 38 PRO CA . 25028 1 211 . 1 1 20 20 PRO CB C 13 31.234 0.125 . 1 . . . A 38 PRO CB . 25028 1 212 . 1 1 20 20 PRO CG C 13 27.466 0.125 . 1 . . . A 38 PRO CG . 25028 1 213 . 1 1 20 20 PRO CD C 13 49.422 0.125 . 1 . . . A 38 PRO CD . 25028 1 214 . 1 1 21 21 GLU H H 1 8.227 0.006 . 1 . . . A 39 GLU H . 25028 1 215 . 1 1 21 21 GLU HA H 1 4.091 0.006 . 1 . . . A 39 GLU HA . 25028 1 216 . 1 1 21 21 GLU HB2 H 1 2.101 0.006 . 1 . . . A 39 GLU QB . 25028 1 217 . 1 1 21 21 GLU HB3 H 1 2.101 0.006 . 1 . . . A 39 GLU QB . 25028 1 218 . 1 1 21 21 GLU HG2 H 1 2.410 0.006 . 1 . . . A 39 GLU QG . 25028 1 219 . 1 1 21 21 GLU HG3 H 1 2.410 0.006 . 1 . . . A 39 GLU QG . 25028 1 220 . 1 1 21 21 GLU CA C 13 59.623 0.125 . 1 . . . A 39 GLU CA . 25028 1 221 . 1 1 21 21 GLU CB C 13 28.421 0.125 . 1 . . . A 39 GLU CB . 25028 1 222 . 1 1 21 21 GLU CG C 13 36.484 0.125 . 1 . . . A 39 GLU CG . 25028 1 223 . 1 1 21 21 GLU N N 15 117.028 0.160 . 1 . . . A 39 GLU N . 25028 1 224 . 1 1 22 22 TRP H H 1 7.859 0.006 . 1 . . . A 40 TRP H . 25028 1 225 . 1 1 22 22 TRP HA H 1 4.168 0.006 . 1 . . . A 40 TRP HA . 25028 1 226 . 1 1 22 22 TRP HB2 H 1 3.307 0.006 . 2 . . . A 40 TRP HB2 . 25028 1 227 . 1 1 22 22 TRP HB3 H 1 3.537 0.006 . 2 . . . A 40 TRP HB3 . 25028 1 228 . 1 1 22 22 TRP HD1 H 1 7.353 0.006 . 1 . . . A 40 TRP HD1 . 25028 1 229 . 1 1 22 22 TRP HE1 H 1 10.535 0.006 . 1 . . . A 40 TRP HE1 . 25028 1 230 . 1 1 22 22 TRP HE3 H 1 7.479 0.006 . 1 . . . A 40 TRP HE3 . 25028 1 231 . 1 1 22 22 TRP HZ2 H 1 7.350 0.006 . 1 . . . A 40 TRP HZ2 . 25028 1 232 . 1 1 22 22 TRP HZ3 H 1 6.670 0.006 . 1 . . . A 40 TRP HZ3 . 25028 1 233 . 1 1 22 22 TRP HH2 H 1 6.782 0.006 . 1 . . . A 40 TRP HH2 . 25028 1 234 . 1 1 22 22 TRP CA C 13 60.748 0.125 . 1 . . . A 40 TRP CA . 25028 1 235 . 1 1 22 22 TRP CB C 13 28.456 0.125 . 1 . . . A 40 TRP CB . 25028 1 236 . 1 1 22 22 TRP CD1 C 13 126.626 0.125 . 1 . . . A 40 TRP CD1 . 25028 1 237 . 1 1 22 22 TRP CE3 C 13 118.944 0.125 . 1 . . . A 40 TRP CE3 . 25028 1 238 . 1 1 22 22 TRP CZ2 C 13 114.431 0.125 . 1 . . . A 40 TRP CZ2 . 25028 1 239 . 1 1 22 22 TRP CZ3 C 13 120.565 0.125 . 1 . . . A 40 TRP CZ3 . 25028 1 240 . 1 1 22 22 TRP CH2 C 13 123.401 0.125 . 1 . . . A 40 TRP CH2 . 25028 1 241 . 1 1 22 22 TRP N N 15 122.042 0.160 . 1 . . . A 40 TRP N . 25028 1 242 . 1 1 22 22 TRP NE1 N 15 131.272 0.160 . 1 . . . A 40 TRP NE1 . 25028 1 243 . 1 1 23 23 LEU H H 1 8.138 0.006 . 1 . . . A 41 LEU H . 25028 1 244 . 1 1 23 23 LEU HA H 1 3.304 0.006 . 1 . . . A 41 LEU HA . 25028 1 245 . 1 1 23 23 LEU HB2 H 1 1.503 0.006 . 2 . . . A 41 LEU HB2 . 25028 1 246 . 1 1 23 23 LEU HB3 H 1 1.722 0.006 . 2 . . . A 41 LEU HB3 . 25028 1 247 . 1 1 23 23 LEU HG H 1 1.355 0.006 . 1 . . . A 41 LEU HG . 25028 1 248 . 1 1 23 23 LEU HD11 H 1 0.776 0.006 . 2 . . . A 41 LEU QD1 . 25028 1 249 . 1 1 23 23 LEU HD12 H 1 0.776 0.006 . 2 . . . A 41 LEU QD1 . 25028 1 250 . 1 1 23 23 LEU HD13 H 1 0.776 0.006 . 2 . . . A 41 LEU QD1 . 25028 1 251 . 1 1 23 23 LEU HD21 H 1 0.379 0.006 . 2 . . . A 41 LEU QD2 . 25028 1 252 . 1 1 23 23 LEU HD22 H 1 0.379 0.006 . 2 . . . A 41 LEU QD2 . 25028 1 253 . 1 1 23 23 LEU HD23 H 1 0.379 0.006 . 2 . . . A 41 LEU QD2 . 25028 1 254 . 1 1 23 23 LEU CA C 13 58.854 0.125 . 1 . . . A 41 LEU CA . 25028 1 255 . 1 1 23 23 LEU CB C 13 41.992 0.125 . 1 . . . A 41 LEU CB . 25028 1 256 . 1 1 23 23 LEU CG C 13 26.406 0.125 . 1 . . . A 41 LEU CG . 25028 1 257 . 1 1 23 23 LEU CD1 C 13 27.597 0.125 . 2 . . . A 41 LEU CD1 . 25028 1 258 . 1 1 23 23 LEU CD2 C 13 25.295 0.125 . 2 . . . A 41 LEU CD2 . 25028 1 259 . 1 1 23 23 LEU N N 15 121.636 0.160 . 1 . . . A 41 LEU N . 25028 1 260 . 1 1 24 24 LYS H H 1 8.249 0.006 . 1 . . . A 42 LYS H . 25028 1 261 . 1 1 24 24 LYS HA H 1 3.362 0.006 . 1 . . . A 42 LYS HA . 25028 1 262 . 1 1 24 24 LYS HB2 H 1 1.848 0.006 . 2 . . . A 42 LYS HB2 . 25028 1 263 . 1 1 24 24 LYS HB3 H 1 1.770 0.006 . 2 . . . A 42 LYS HB3 . 25028 1 264 . 1 1 24 24 LYS HG2 H 1 1.546 0.006 . 2 . . . A 42 LYS HG2 . 25028 1 265 . 1 1 24 24 LYS HG3 H 1 1.256 0.006 . 2 . . . A 42 LYS HG3 . 25028 1 266 . 1 1 24 24 LYS HD2 H 1 1.775 0.006 . 2 . . . A 42 LYS HD2 . 25028 1 267 . 1 1 24 24 LYS HD3 H 1 1.618 0.006 . 2 . . . A 42 LYS HD3 . 25028 1 268 . 1 1 24 24 LYS HE2 H 1 2.971 0.006 . 1 . . . A 42 LYS QE . 25028 1 269 . 1 1 24 24 LYS HE3 H 1 2.971 0.006 . 1 . . . A 42 LYS QE . 25028 1 270 . 1 1 24 24 LYS CA C 13 59.985 0.125 . 1 . . . A 42 LYS CA . 25028 1 271 . 1 1 24 24 LYS CB C 13 32.630 0.125 . 1 . . . A 42 LYS CB . 25028 1 272 . 1 1 24 24 LYS CG C 13 25.556 0.125 . 1 . . . A 42 LYS CG . 25028 1 273 . 1 1 24 24 LYS CD C 13 29.774 0.125 . 1 . . . A 42 LYS CD . 25028 1 274 . 1 1 24 24 LYS CE C 13 41.886 0.125 . 1 . . . A 42 LYS CE . 25028 1 275 . 1 1 24 24 LYS N N 15 117.624 0.160 . 1 . . . A 42 LYS N . 25028 1 276 . 1 1 25 25 GLN H H 1 8.399 0.006 . 1 . . . A 43 GLN H . 25028 1 277 . 1 1 25 25 GLN HA H 1 4.065 0.006 . 1 . . . A 43 GLN HA . 25028 1 278 . 1 1 25 25 GLN HB2 H 1 1.992 0.006 . 2 . . . A 43 GLN HB2 . 25028 1 279 . 1 1 25 25 GLN HB3 H 1 2.151 0.006 . 2 . . . A 43 GLN HB3 . 25028 1 280 . 1 1 25 25 GLN HG2 H 1 2.452 0.006 . 2 . . . A 43 GLN HG2 . 25028 1 281 . 1 1 25 25 GLN HG3 H 1 2.381 0.006 . 2 . . . A 43 GLN HG3 . 25028 1 282 . 1 1 25 25 GLN HE21 H 1 6.937 0.006 . 2 . . . A 43 GLN HE21 . 25028 1 283 . 1 1 25 25 GLN HE22 H 1 7.552 0.006 . 2 . . . A 43 GLN HE22 . 25028 1 284 . 1 1 25 25 GLN CA C 13 58.174 0.125 . 1 . . . A 43 GLN CA . 25028 1 285 . 1 1 25 25 GLN CB C 13 28.034 0.125 . 1 . . . A 43 GLN CB . 25028 1 286 . 1 1 25 25 GLN CG C 13 33.589 0.125 . 1 . . . A 43 GLN CG . 25028 1 287 . 1 1 25 25 GLN N N 15 118.079 0.160 . 1 . . . A 43 GLN N . 25028 1 288 . 1 1 25 25 GLN NE2 N 15 112.080 0.160 . 1 . . . A 43 GLN NE2 . 25028 1 289 . 1 1 26 26 ASN H H 1 7.560 0.006 . 1 . . . A 44 ASN H . 25028 1 290 . 1 1 26 26 ASN HA H 1 4.442 0.006 . 1 . . . A 44 ASN HA . 25028 1 291 . 1 1 26 26 ASN HB2 H 1 1.785 0.006 . 2 . . . A 44 ASN HB2 . 25028 1 292 . 1 1 26 26 ASN HB3 H 1 2.038 0.006 . 2 . . . A 44 ASN HB3 . 25028 1 293 . 1 1 26 26 ASN HD21 H 1 6.467 0.006 . 2 . . . A 44 ASN HD21 . 25028 1 294 . 1 1 26 26 ASN HD22 H 1 5.759 0.006 . 2 . . . A 44 ASN HD22 . 25028 1 295 . 1 1 26 26 ASN CA C 13 56.826 0.125 . 1 . . . A 44 ASN CA . 25028 1 296 . 1 1 26 26 ASN CB C 13 39.095 0.125 . 1 . . . A 44 ASN CB . 25028 1 297 . 1 1 26 26 ASN N N 15 115.758 0.160 . 1 . . . A 44 ASN N . 25028 1 298 . 1 1 26 26 ASN ND2 N 15 113.056 0.160 . 1 . . . A 44 ASN ND2 . 25028 1 299 . 1 1 27 27 ILE H H 1 8.373 0.006 . 1 . . . A 45 ILE H . 25028 1 300 . 1 1 27 27 ILE HA H 1 4.210 0.006 . 1 . . . A 45 ILE HA . 25028 1 301 . 1 1 27 27 ILE HB H 1 1.796 0.006 . 1 . . . A 45 ILE HB . 25028 1 302 . 1 1 27 27 ILE HG12 H 1 1.110 0.006 . 2 . . . A 45 ILE HG12 . 25028 1 303 . 1 1 27 27 ILE HG13 H 1 1.536 0.006 . 2 . . . A 45 ILE HG13 . 25028 1 304 . 1 1 27 27 ILE HG21 H 1 1.044 0.006 . 1 . . . A 45 ILE QG2 . 25028 1 305 . 1 1 27 27 ILE HG22 H 1 1.044 0.006 . 1 . . . A 45 ILE QG2 . 25028 1 306 . 1 1 27 27 ILE HG23 H 1 1.044 0.006 . 1 . . . A 45 ILE QG2 . 25028 1 307 . 1 1 27 27 ILE HD11 H 1 0.750 0.006 . 1 . . . A 45 ILE QD1 . 25028 1 308 . 1 1 27 27 ILE HD12 H 1 0.750 0.006 . 1 . . . A 45 ILE QD1 . 25028 1 309 . 1 1 27 27 ILE HD13 H 1 0.750 0.006 . 1 . . . A 45 ILE QD1 . 25028 1 310 . 1 1 27 27 ILE CA C 13 63.663 0.125 . 1 . . . A 45 ILE CA . 25028 1 311 . 1 1 27 27 ILE CB C 13 36.715 0.125 . 1 . . . A 45 ILE CB . 25028 1 312 . 1 1 27 27 ILE CG1 C 13 29.252 0.125 . 1 . . . A 45 ILE CG1 . 25028 1 313 . 1 1 27 27 ILE CG2 C 13 17.490 0.125 . 1 . . . A 45 ILE CG2 . 25028 1 314 . 1 1 27 27 ILE CD1 C 13 12.233 0.125 . 1 . . . A 45 ILE CD1 . 25028 1 315 . 1 1 27 27 ILE N N 15 123.454 0.160 . 1 . . . A 45 ILE N . 25028 1 316 . 1 1 28 28 ALA H H 1 7.874 0.006 . 1 . . . A 46 ALA H . 25028 1 317 . 1 1 28 28 ALA HA H 1 4.218 0.006 . 1 . . . A 46 ALA HA . 25028 1 318 . 1 1 28 28 ALA HB1 H 1 1.571 0.006 . 1 . . . A 46 ALA QB . 25028 1 319 . 1 1 28 28 ALA HB2 H 1 1.571 0.006 . 1 . . . A 46 ALA QB . 25028 1 320 . 1 1 28 28 ALA HB3 H 1 1.571 0.006 . 1 . . . A 46 ALA QB . 25028 1 321 . 1 1 28 28 ALA CA C 13 54.765 0.125 . 1 . . . A 46 ALA CA . 25028 1 322 . 1 1 28 28 ALA CB C 13 17.452 0.125 . 1 . . . A 46 ALA CB . 25028 1 323 . 1 1 28 28 ALA N N 15 124.583 0.160 . 1 . . . A 46 ALA N . 25028 1 324 . 1 1 29 29 ALA H H 1 7.226 0.006 . 1 . . . A 47 ALA H . 25028 1 325 . 1 1 29 29 ALA HA H 1 4.486 0.006 . 1 . . . A 47 ALA HA . 25028 1 326 . 1 1 29 29 ALA HB1 H 1 1.476 0.006 . 1 . . . A 47 ALA QB . 25028 1 327 . 1 1 29 29 ALA HB2 H 1 1.476 0.006 . 1 . . . A 47 ALA QB . 25028 1 328 . 1 1 29 29 ALA HB3 H 1 1.476 0.006 . 1 . . . A 47 ALA QB . 25028 1 329 . 1 1 29 29 ALA CA C 13 51.020 0.125 . 1 . . . A 47 ALA CA . 25028 1 330 . 1 1 29 29 ALA CB C 13 19.030 0.125 . 1 . . . A 47 ALA CB . 25028 1 331 . 1 1 29 29 ALA N N 15 116.345 0.160 . 1 . . . A 47 ALA N . 25028 1 332 . 1 1 30 30 ASN H H 1 8.252 0.006 . 1 . . . A 48 ASN H . 25028 1 333 . 1 1 30 30 ASN HA H 1 4.656 0.006 . 1 . . . A 48 ASN HA . 25028 1 334 . 1 1 30 30 ASN HB2 H 1 2.765 0.006 . 2 . . . A 48 ASN HB2 . 25028 1 335 . 1 1 30 30 ASN HB3 H 1 3.273 0.006 . 2 . . . A 48 ASN HB3 . 25028 1 336 . 1 1 30 30 ASN HD21 H 1 6.846 0.006 . 2 . . . A 48 ASN HD21 . 25028 1 337 . 1 1 30 30 ASN HD22 H 1 7.496 0.006 . 2 . . . A 48 ASN HD22 . 25028 1 338 . 1 1 30 30 ASN CA C 13 54.128 0.125 . 1 . . . A 48 ASN CA . 25028 1 339 . 1 1 30 30 ASN CB C 13 37.760 0.125 . 1 . . . A 48 ASN CB . 25028 1 340 . 1 1 30 30 ASN N N 15 117.455 0.160 . 1 . . . A 48 ASN N . 25028 1 341 . 1 1 30 30 ASN ND2 N 15 110.108 0.160 . 1 . . . A 48 ASN ND2 . 25028 1 342 . 1 1 31 31 GLN H H 1 8.437 0.006 . 1 . . . A 49 GLN H . 25028 1 343 . 1 1 31 31 GLN HA H 1 4.544 0.006 . 1 . . . A 49 GLN HA . 25028 1 344 . 1 1 31 31 GLN HB2 H 1 1.896 0.006 . 2 . . . A 49 GLN HB2 . 25028 1 345 . 1 1 31 31 GLN HB3 H 1 2.431 0.006 . 2 . . . A 49 GLN HB3 . 25028 1 346 . 1 1 31 31 GLN HG2 H 1 2.280 0.006 . 2 . . . A 49 GLN HG2 . 25028 1 347 . 1 1 31 31 GLN HG3 H 1 2.468 0.006 . 2 . . . A 49 GLN HG3 . 25028 1 348 . 1 1 31 31 GLN HE21 H 1 7.140 0.006 . 2 . . . A 49 GLN HE21 . 25028 1 349 . 1 1 31 31 GLN HE22 H 1 6.763 0.006 . 2 . . . A 49 GLN HE22 . 25028 1 350 . 1 1 31 31 GLN CA C 13 54.391 0.125 . 1 . . . A 49 GLN CA . 25028 1 351 . 1 1 31 31 GLN CB C 13 31.784 0.125 . 1 . . . A 49 GLN CB . 25028 1 352 . 1 1 31 31 GLN CG C 13 32.579 0.125 . 1 . . . A 49 GLN CG . 25028 1 353 . 1 1 31 31 GLN N N 15 111.723 0.160 . 1 . . . A 49 GLN N . 25028 1 354 . 1 1 31 31 GLN NE2 N 15 110.743 0.160 . 1 . . . A 49 GLN NE2 . 25028 1 355 . 1 1 32 32 LEU H H 1 7.643 0.006 . 1 . . . A 50 LEU H . 25028 1 356 . 1 1 32 32 LEU HA H 1 4.416 0.006 . 1 . . . A 50 LEU HA . 25028 1 357 . 1 1 32 32 LEU HB2 H 1 0.559 0.006 . 2 . . . A 50 LEU HB2 . 25028 1 358 . 1 1 32 32 LEU HB3 H 1 1.916 0.006 . 2 . . . A 50 LEU HB3 . 25028 1 359 . 1 1 32 32 LEU HG H 1 1.330 0.006 . 1 . . . A 50 LEU HG . 25028 1 360 . 1 1 32 32 LEU HD11 H 1 0.323 0.006 . 2 . . . A 50 LEU QD1 . 25028 1 361 . 1 1 32 32 LEU HD12 H 1 0.323 0.006 . 2 . . . A 50 LEU QD1 . 25028 1 362 . 1 1 32 32 LEU HD13 H 1 0.323 0.006 . 2 . . . A 50 LEU QD1 . 25028 1 363 . 1 1 32 32 LEU HD21 H 1 0.658 0.006 . 2 . . . A 50 LEU QD2 . 25028 1 364 . 1 1 32 32 LEU HD22 H 1 0.658 0.006 . 2 . . . A 50 LEU QD2 . 25028 1 365 . 1 1 32 32 LEU HD23 H 1 0.658 0.006 . 2 . . . A 50 LEU QD2 . 25028 1 366 . 1 1 32 32 LEU CA C 13 55.024 0.125 . 1 . . . A 50 LEU CA . 25028 1 367 . 1 1 32 32 LEU CB C 13 42.659 0.125 . 1 . . . A 50 LEU CB . 25028 1 368 . 1 1 32 32 LEU CG C 13 26.669 0.125 . 1 . . . A 50 LEU CG . 25028 1 369 . 1 1 32 32 LEU CD1 C 13 23.996 0.125 . 2 . . . A 50 LEU CD1 . 25028 1 370 . 1 1 32 32 LEU CD2 C 13 26.780 0.125 . 2 . . . A 50 LEU CD2 . 25028 1 371 . 1 1 32 32 LEU N N 15 122.443 0.160 . 1 . . . A 50 LEU N . 25028 1 372 . 1 1 33 33 VAL H H 1 9.484 0.006 . 1 . . . A 51 VAL H . 25028 1 373 . 1 1 33 33 VAL HA H 1 4.514 0.006 . 1 . . . A 51 VAL HA . 25028 1 374 . 1 1 33 33 VAL HB H 1 2.113 0.006 . 1 . . . A 51 VAL HB . 25028 1 375 . 1 1 33 33 VAL HG11 H 1 0.877 0.006 . 2 . . . A 51 VAL QG1 . 25028 1 376 . 1 1 33 33 VAL HG12 H 1 0.877 0.006 . 2 . . . A 51 VAL QG1 . 25028 1 377 . 1 1 33 33 VAL HG13 H 1 0.877 0.006 . 2 . . . A 51 VAL QG1 . 25028 1 378 . 1 1 33 33 VAL HG21 H 1 0.827 0.006 . 2 . . . A 51 VAL QG2 . 25028 1 379 . 1 1 33 33 VAL HG22 H 1 0.827 0.006 . 2 . . . A 51 VAL QG2 . 25028 1 380 . 1 1 33 33 VAL HG23 H 1 0.827 0.006 . 2 . . . A 51 VAL QG2 . 25028 1 381 . 1 1 33 33 VAL CA C 13 60.887 0.125 . 1 . . . A 51 VAL CA . 25028 1 382 . 1 1 33 33 VAL CB C 13 34.085 0.125 . 1 . . . A 51 VAL CB . 25028 1 383 . 1 1 33 33 VAL CG1 C 13 21.350 0.125 . 2 . . . A 51 VAL CG1 . 25028 1 384 . 1 1 33 33 VAL CG2 C 13 21.100 0.125 . 2 . . . A 51 VAL CG2 . 25028 1 385 . 1 1 33 33 VAL N N 15 130.781 0.160 . 1 . . . A 51 VAL N . 25028 1 386 . 1 1 34 34 TYR H H 1 8.486 0.006 . 1 . . . A 52 TYR H . 25028 1 387 . 1 1 34 34 TYR HA H 1 5.646 0.006 . 1 . . . A 52 TYR HA . 25028 1 388 . 1 1 34 34 TYR HB2 H 1 3.047 0.006 . 2 . . . A 52 TYR HB2 . 25028 1 389 . 1 1 34 34 TYR HB3 H 1 2.756 0.006 . 2 . . . A 52 TYR HB3 . 25028 1 390 . 1 1 34 34 TYR HD1 H 1 7.079 0.006 . 1 . . . A 52 TYR QD . 25028 1 391 . 1 1 34 34 TYR HD2 H 1 7.079 0.006 . 1 . . . A 52 TYR QD . 25028 1 392 . 1 1 34 34 TYR HE1 H 1 6.868 0.006 . 1 . . . A 52 TYR QE . 25028 1 393 . 1 1 34 34 TYR HE2 H 1 6.868 0.006 . 1 . . . A 52 TYR QE . 25028 1 394 . 1 1 34 34 TYR CA C 13 54.720 0.125 . 1 . . . A 52 TYR CA . 25028 1 395 . 1 1 34 34 TYR CB C 13 42.128 0.125 . 1 . . . A 52 TYR CB . 25028 1 396 . 1 1 34 34 TYR CD1 C 13 132.300 0.125 . 3 . . . A 52 TYR CD1 . 25028 1 397 . 1 1 34 34 TYR CD2 C 13 132.301 0.125 . 1 . . . A 52 TYR CD2 . 25028 1 398 . 1 1 34 34 TYR CE1 C 13 117.410 0.125 . 3 . . . A 52 TYR CE1 . 25028 1 399 . 1 1 34 34 TYR CE2 C 13 117.410 0.125 . 3 . . . A 52 TYR CE2 . 25028 1 400 . 1 1 34 34 TYR N N 15 125.657 0.160 . 1 . . . A 52 TYR N . 25028 1 401 . 1 1 35 35 GLY H H 1 7.286 0.006 . 1 . . . A 53 GLY H . 25028 1 402 . 1 1 35 35 GLY HA2 H 1 2.987 0.006 . 2 . . . A 53 GLY HA2 . 25028 1 403 . 1 1 35 35 GLY HA3 H 1 3.653 0.006 . 2 . . . A 53 GLY HA3 . 25028 1 404 . 1 1 35 35 GLY CA C 13 43.768 0.125 . 1 . . . A 53 GLY CA . 25028 1 405 . 1 1 35 35 GLY N N 15 114.259 0.160 . 1 . . . A 53 GLY N . 25028 1 406 . 1 1 36 36 ILE H H 1 7.571 0.006 . 1 . . . A 54 ILE H . 25028 1 407 . 1 1 36 36 ILE HA H 1 4.499 0.006 . 1 . . . A 54 ILE HA . 25028 1 408 . 1 1 36 36 ILE HB H 1 1.621 0.006 . 1 . . . A 54 ILE HB . 25028 1 409 . 1 1 36 36 ILE HG12 H 1 1.342 0.006 . 2 . . . A 54 ILE HG12 . 25028 1 410 . 1 1 36 36 ILE HG13 H 1 1.130 0.006 . 2 . . . A 54 ILE HG13 . 25028 1 411 . 1 1 36 36 ILE HG21 H 1 0.911 0.006 . 1 . . . A 54 ILE QG2 . 25028 1 412 . 1 1 36 36 ILE HG22 H 1 0.911 0.006 . 1 . . . A 54 ILE QG2 . 25028 1 413 . 1 1 36 36 ILE HG23 H 1 0.911 0.006 . 1 . . . A 54 ILE QG2 . 25028 1 414 . 1 1 36 36 ILE HD11 H 1 0.884 0.006 . 1 . . . A 54 ILE QD1 . 25028 1 415 . 1 1 36 36 ILE HD12 H 1 0.884 0.006 . 1 . . . A 54 ILE QD1 . 25028 1 416 . 1 1 36 36 ILE HD13 H 1 0.884 0.006 . 1 . . . A 54 ILE QD1 . 25028 1 417 . 1 1 36 36 ILE CA C 13 59.366 0.125 . 1 . . . A 54 ILE CA . 25028 1 418 . 1 1 36 36 ILE CB C 13 40.798 0.125 . 1 . . . A 54 ILE CB . 25028 1 419 . 1 1 36 36 ILE CG1 C 13 26.976 0.125 . 1 . . . A 54 ILE CG1 . 25028 1 420 . 1 1 36 36 ILE CG2 C 13 17.225 0.125 . 1 . . . A 54 ILE CG2 . 25028 1 421 . 1 1 36 36 ILE CD1 C 13 13.329 0.125 . 1 . . . A 54 ILE CD1 . 25028 1 422 . 1 1 36 36 ILE N N 15 114.729 0.160 . 1 . . . A 54 ILE N . 25028 1 423 . 1 1 37 37 VAL H H 1 8.835 0.006 . 1 . . . A 55 VAL H . 25028 1 424 . 1 1 37 37 VAL HA H 1 3.982 0.006 . 1 . . . A 55 VAL HA . 25028 1 425 . 1 1 37 37 VAL HB H 1 2.344 0.006 . 1 . . . A 55 VAL HB . 25028 1 426 . 1 1 37 37 VAL HG11 H 1 1.380 0.006 . 2 . . . A 55 VAL QG1 . 25028 1 427 . 1 1 37 37 VAL HG12 H 1 1.380 0.006 . 2 . . . A 55 VAL QG1 . 25028 1 428 . 1 1 37 37 VAL HG13 H 1 1.380 0.006 . 2 . . . A 55 VAL QG1 . 25028 1 429 . 1 1 37 37 VAL HG21 H 1 1.073 0.006 . 2 . . . A 55 VAL QG2 . 25028 1 430 . 1 1 37 37 VAL HG22 H 1 1.073 0.006 . 2 . . . A 55 VAL QG2 . 25028 1 431 . 1 1 37 37 VAL HG23 H 1 1.073 0.006 . 2 . . . A 55 VAL QG2 . 25028 1 432 . 1 1 37 37 VAL CA C 13 65.103 0.125 . 1 . . . A 55 VAL CA . 25028 1 433 . 1 1 37 37 VAL CB C 13 32.548 0.125 . 1 . . . A 55 VAL CB . 25028 1 434 . 1 1 37 37 VAL CG1 C 13 23.738 0.125 . 2 . . . A 55 VAL CG1 . 25028 1 435 . 1 1 37 37 VAL CG2 C 13 22.913 0.125 . 2 . . . A 55 VAL CG2 . 25028 1 436 . 1 1 37 37 VAL N N 15 127.456 0.160 . 1 . . . A 55 VAL N . 25028 1 437 . 1 1 38 38 LYS H H 1 8.836 0.006 . 1 . . . A 56 LYS H . 25028 1 438 . 1 1 38 38 LYS HA H 1 4.970 0.006 . 1 . . . A 56 LYS HA . 25028 1 439 . 1 1 38 38 LYS HB2 H 1 1.794 0.006 . 2 . . . A 56 LYS HB2 . 25028 1 440 . 1 1 38 38 LYS HB3 H 1 1.967 0.006 . 2 . . . A 56 LYS HB3 . 25028 1 441 . 1 1 38 38 LYS HG2 H 1 1.645 0.006 . 2 . . . A 56 LYS HG2 . 25028 1 442 . 1 1 38 38 LYS HG3 H 1 1.716 0.006 . 2 . . . A 56 LYS HG3 . 25028 1 443 . 1 1 38 38 LYS HD2 H 1 1.847 0.006 . 2 . . . A 56 LYS HD2 . 25028 1 444 . 1 1 38 38 LYS HD3 H 1 1.785 0.006 . 2 . . . A 56 LYS HD3 . 25028 1 445 . 1 1 38 38 LYS HE2 H 1 3.153 0.006 . 1 . . . A 56 LYS QE . 25028 1 446 . 1 1 38 38 LYS HE3 H 1 3.153 0.006 . 1 . . . A 56 LYS QE . 25028 1 447 . 1 1 38 38 LYS CA C 13 53.041 0.125 . 1 . . . A 56 LYS CA . 25028 1 448 . 1 1 38 38 LYS CB C 13 32.973 0.125 . 1 . . . A 56 LYS CB . 25028 1 449 . 1 1 38 38 LYS CG C 13 24.139 0.125 . 1 . . . A 56 LYS CG . 25028 1 450 . 1 1 38 38 LYS CD C 13 28.757 0.125 . 1 . . . A 56 LYS CD . 25028 1 451 . 1 1 38 38 LYS CE C 13 41.790 0.125 . 1 . . . A 56 LYS CE . 25028 1 452 . 1 1 38 38 LYS N N 15 129.188 0.160 . 1 . . . A 56 LYS N . 25028 1 453 . 1 1 39 39 PRO HA H 1 4.454 0.006 . 1 . . . A 57 PRO HA . 25028 1 454 . 1 1 39 39 PRO HB2 H 1 2.447 0.006 . 2 . . . A 57 PRO HB2 . 25028 1 455 . 1 1 39 39 PRO HB3 H 1 2.002 0.006 . 2 . . . A 57 PRO HB3 . 25028 1 456 . 1 1 39 39 PRO HG2 H 1 2.124 0.006 . 2 . . . A 57 PRO HG2 . 25028 1 457 . 1 1 39 39 PRO HG3 H 1 2.192 0.006 . 2 . . . A 57 PRO HG3 . 25028 1 458 . 1 1 39 39 PRO HD2 H 1 3.828 0.006 . 2 . . . A 57 PRO HD2 . 25028 1 459 . 1 1 39 39 PRO HD3 H 1 3.981 0.006 . 2 . . . A 57 PRO HD3 . 25028 1 460 . 1 1 39 39 PRO CA C 13 64.455 0.125 . 1 . . . A 57 PRO CA . 25028 1 461 . 1 1 39 39 PRO CB C 13 31.722 0.125 . 1 . . . A 57 PRO CB . 25028 1 462 . 1 1 39 39 PRO CG C 13 27.404 0.125 . 1 . . . A 57 PRO CG . 25028 1 463 . 1 1 39 39 PRO CD C 13 50.263 0.125 . 1 . . . A 57 PRO CD . 25028 1 464 . 1 1 40 40 SER H H 1 7.443 0.006 . 1 . . . A 58 SER H . 25028 1 465 . 1 1 40 40 SER HA H 1 4.444 0.006 . 1 . . . A 58 SER HA . 25028 1 466 . 1 1 40 40 SER HB2 H 1 4.180 0.006 . 2 . . . A 58 SER HB2 . 25028 1 467 . 1 1 40 40 SER HB3 H 1 3.853 0.006 . 2 . . . A 58 SER HB3 . 25028 1 468 . 1 1 40 40 SER CA C 13 57.627 0.125 . 1 . . . A 58 SER CA . 25028 1 469 . 1 1 40 40 SER CB C 13 63.074 0.125 . 1 . . . A 58 SER CB . 25028 1 470 . 1 1 40 40 SER N N 15 108.557 0.160 . 1 . . . A 58 SER N . 25028 1 471 . 1 1 41 41 ASP H H 1 8.100 0.006 . 1 . . . A 59 ASP H . 25028 1 472 . 1 1 41 41 ASP HA H 1 4.679 0.006 . 1 . . . A 59 ASP HA . 25028 1 473 . 1 1 41 41 ASP HB2 H 1 2.631 0.006 . 2 . . . A 59 ASP HB2 . 25028 1 474 . 1 1 41 41 ASP HB3 H 1 2.965 0.006 . 2 . . . A 59 ASP HB3 . 25028 1 475 . 1 1 41 41 ASP CA C 13 54.883 0.125 . 1 . . . A 59 ASP CA . 25028 1 476 . 1 1 41 41 ASP CB C 13 41.621 0.125 . 1 . . . A 59 ASP CB . 25028 1 477 . 1 1 41 41 ASP N N 15 123.000 0.160 . 1 . . . A 59 ASP N . 25028 1 478 . 1 1 42 42 THR H H 1 8.593 0.006 . 1 . . . A 60 THR H . 25028 1 479 . 1 1 42 42 THR HA H 1 4.428 0.006 . 1 . . . A 60 THR HA . 25028 1 480 . 1 1 42 42 THR HB H 1 4.187 0.006 . 1 . . . A 60 THR HB . 25028 1 481 . 1 1 42 42 THR HG21 H 1 1.187 0.006 . 1 . . . A 60 THR QG2 . 25028 1 482 . 1 1 42 42 THR HG22 H 1 1.187 0.006 . 1 . . . A 60 THR QG2 . 25028 1 483 . 1 1 42 42 THR HG23 H 1 1.187 0.006 . 1 . . . A 60 THR QG2 . 25028 1 484 . 1 1 42 42 THR CA C 13 61.343 0.125 . 1 . . . A 60 THR CA . 25028 1 485 . 1 1 42 42 THR CB C 13 68.162 0.125 . 1 . . . A 60 THR CB . 25028 1 486 . 1 1 42 42 THR CG2 C 13 21.261 0.125 . 1 . . . A 60 THR CG2 . 25028 1 487 . 1 1 42 42 THR N N 15 116.651 0.160 . 1 . . . A 60 THR N . 25028 1 488 . 1 1 43 43 VAL H H 1 7.725 0.006 . 1 . . . A 61 VAL H . 25028 1 489 . 1 1 43 43 VAL HA H 1 4.694 0.006 . 1 . . . A 61 VAL HA . 25028 1 490 . 1 1 43 43 VAL HB H 1 1.942 0.006 . 1 . . . A 61 VAL HB . 25028 1 491 . 1 1 43 43 VAL HG11 H 1 0.935 0.006 . 2 . . . A 61 VAL QG1 . 25028 1 492 . 1 1 43 43 VAL HG12 H 1 0.935 0.006 . 2 . . . A 61 VAL QG1 . 25028 1 493 . 1 1 43 43 VAL HG13 H 1 0.935 0.006 . 2 . . . A 61 VAL QG1 . 25028 1 494 . 1 1 43 43 VAL HG21 H 1 0.713 0.006 . 1 . . . A 61 VAL QG2 . 25028 1 495 . 1 1 43 43 VAL HG22 H 1 0.713 0.006 . 1 . . . A 61 VAL QG2 . 25028 1 496 . 1 1 43 43 VAL HG23 H 1 0.713 0.006 . 1 . . . A 61 VAL QG2 . 25028 1 497 . 1 1 43 43 VAL CA C 13 57.914 0.125 . 1 . . . A 61 VAL CA . 25028 1 498 . 1 1 43 43 VAL CB C 13 32.910 0.125 . 1 . . . A 61 VAL CB . 25028 1 499 . 1 1 43 43 VAL CG1 C 13 22.651 0.125 . 2 . . . A 61 VAL CG1 . 25028 1 500 . 1 1 43 43 VAL CG2 C 13 18.345 0.125 . 1 . . . A 61 VAL CG2 . 25028 1 501 . 1 1 43 43 VAL N N 15 120.517 0.160 . 1 . . . A 61 VAL N . 25028 1 502 . 1 1 44 44 PRO HA H 1 4.396 0.006 . 1 . . . A 62 PRO HA . 25028 1 503 . 1 1 44 44 PRO HB2 H 1 1.622 0.006 . 2 . . . A 62 PRO HB2 . 25028 1 504 . 1 1 44 44 PRO HB3 H 1 2.323 0.006 . 2 . . . A 62 PRO HB3 . 25028 1 505 . 1 1 44 44 PRO HG2 H 1 1.959 0.006 . 2 . . . A 62 PRO HG2 . 25028 1 506 . 1 1 44 44 PRO HG3 H 1 1.680 0.006 . 2 . . . A 62 PRO HG3 . 25028 1 507 . 1 1 44 44 PRO HD2 H 1 3.167 0.006 . 2 . . . A 62 PRO HD2 . 25028 1 508 . 1 1 44 44 PRO HD3 H 1 3.780 0.006 . 2 . . . A 62 PRO HD3 . 25028 1 509 . 1 1 44 44 PRO CA C 13 61.364 0.125 . 1 . . . A 62 PRO CA . 25028 1 510 . 1 1 44 44 PRO CB C 13 31.855 0.125 . 1 . . . A 62 PRO CB . 25028 1 511 . 1 1 44 44 PRO CG C 13 27.313 0.125 . 1 . . . A 62 PRO CG . 25028 1 512 . 1 1 44 44 PRO CD C 13 49.932 0.125 . 1 . . . A 62 PRO CD . 25028 1 513 . 1 1 45 45 ALA H H 1 7.949 0.006 . 1 . . . A 63 ALA H . 25028 1 514 . 1 1 45 45 ALA HA H 1 4.129 0.006 . 1 . . . A 63 ALA HA . 25028 1 515 . 1 1 45 45 ALA HB1 H 1 1.326 0.006 . 1 . . . A 63 ALA QB . 25028 1 516 . 1 1 45 45 ALA HB2 H 1 1.326 0.006 . 1 . . . A 63 ALA QB . 25028 1 517 . 1 1 45 45 ALA HB3 H 1 1.326 0.006 . 1 . . . A 63 ALA QB . 25028 1 518 . 1 1 45 45 ALA CA C 13 52.458 0.125 . 1 . . . A 63 ALA CA . 25028 1 519 . 1 1 45 45 ALA CB C 13 18.454 0.125 . 1 . . . A 63 ALA CB . 25028 1 520 . 1 1 45 45 ALA N N 15 120.777 0.160 . 1 . . . A 63 ALA N . 25028 1 521 . 1 1 46 46 GLY H H 1 8.482 0.006 . 1 . . . A 64 GLY H . 25028 1 522 . 1 1 46 46 GLY HA2 H 1 3.705 0.006 . 2 . . . A 64 GLY HA2 . 25028 1 523 . 1 1 46 46 GLY HA3 H 1 3.998 0.006 . 2 . . . A 64 GLY HA3 . 25028 1 524 . 1 1 46 46 GLY CA C 13 45.398 0.125 . 1 . . . A 64 GLY CA . 25028 1 525 . 1 1 46 46 GLY N N 15 107.435 0.160 . 1 . . . A 64 GLY N . 25028 1 526 . 1 1 47 47 VAL H H 1 7.559 0.006 . 1 . . . A 65 VAL H . 25028 1 527 . 1 1 47 47 VAL HA H 1 3.672 0.006 . 1 . . . A 65 VAL HA . 25028 1 528 . 1 1 47 47 VAL HB H 1 1.482 0.006 . 1 . . . A 65 VAL HB . 25028 1 529 . 1 1 47 47 VAL HG11 H 1 -0.172 0.006 . 2 . . . A 65 VAL QG1 . 25028 1 530 . 1 1 47 47 VAL HG12 H 1 -0.172 0.006 . 2 . . . A 65 VAL QG1 . 25028 1 531 . 1 1 47 47 VAL HG13 H 1 -0.172 0.006 . 2 . . . A 65 VAL QG1 . 25028 1 532 . 1 1 47 47 VAL HG21 H 1 -0.407 0.006 . 2 . . . A 65 VAL QG2 . 25028 1 533 . 1 1 47 47 VAL HG22 H 1 -0.407 0.006 . 2 . . . A 65 VAL QG2 . 25028 1 534 . 1 1 47 47 VAL HG23 H 1 -0.407 0.006 . 2 . . . A 65 VAL QG2 . 25028 1 535 . 1 1 47 47 VAL CA C 13 58.904 0.125 . 1 . . . A 65 VAL CA . 25028 1 536 . 1 1 47 47 VAL CB C 13 30.625 0.125 . 1 . . . A 65 VAL CB . 25028 1 537 . 1 1 47 47 VAL CG1 C 13 17.084 0.125 . 2 . . . A 65 VAL CG1 . 25028 1 538 . 1 1 47 47 VAL CG2 C 13 20.978 0.125 . 2 . . . A 65 VAL CG2 . 25028 1 539 . 1 1 47 47 VAL N N 15 111.730 0.160 . 1 . . . A 65 VAL N . 25028 1 540 . 1 1 48 48 ASP H H 1 7.779 0.006 . 1 . . . A 66 ASP H . 25028 1 541 . 1 1 48 48 ASP HA H 1 4.133 0.006 . 1 . . . A 66 ASP HA . 25028 1 542 . 1 1 48 48 ASP HB2 H 1 2.481 0.006 . 2 . . . A 66 ASP HB2 . 25028 1 543 . 1 1 48 48 ASP HB3 H 1 2.540 0.006 . 2 . . . A 66 ASP HB3 . 25028 1 544 . 1 1 48 48 ASP CA C 13 56.042 0.125 . 1 . . . A 66 ASP CA . 25028 1 545 . 1 1 48 48 ASP CB C 13 40.249 0.125 . 1 . . . A 66 ASP CB . 25028 1 546 . 1 1 48 48 ASP N N 15 118.455 0.160 . 1 . . . A 66 ASP N . 25028 1 547 . 1 1 49 49 ASP H H 1 8.437 0.006 . 1 . . . A 67 ASP H . 25028 1 548 . 1 1 49 49 ASP HA H 1 4.657 0.006 . 1 . . . A 67 ASP HA . 25028 1 549 . 1 1 49 49 ASP HB2 H 1 2.993 0.006 . 2 . . . A 67 ASP HB2 . 25028 1 550 . 1 1 49 49 ASP HB3 H 1 2.862 0.006 . 2 . . . A 67 ASP HB3 . 25028 1 551 . 1 1 49 49 ASP CA C 13 54.311 0.125 . 1 . . . A 67 ASP CA . 25028 1 552 . 1 1 49 49 ASP CB C 13 39.618 0.125 . 1 . . . A 67 ASP CB . 25028 1 553 . 1 1 49 49 ASP N N 15 115.200 0.160 . 1 . . . A 67 ASP N . 25028 1 554 . 1 1 50 50 TYR H H 1 8.120 0.006 . 1 . . . A 68 TYR H . 25028 1 555 . 1 1 50 50 TYR HA H 1 4.463 0.006 . 1 . . . A 68 TYR HA . 25028 1 556 . 1 1 50 50 TYR HB2 H 1 3.476 0.006 . 2 . . . A 68 TYR HB2 . 25028 1 557 . 1 1 50 50 TYR HB3 H 1 3.572 0.006 . 2 . . . A 68 TYR HB3 . 25028 1 558 . 1 1 50 50 TYR HD1 H 1 7.130 0.006 . 1 . . . A 68 TYR QD . 25028 1 559 . 1 1 50 50 TYR HD2 H 1 7.130 0.006 . 1 . . . A 68 TYR QD . 25028 1 560 . 1 1 50 50 TYR HE1 H 1 6.704 0.006 . 1 . . . A 68 TYR QE . 25028 1 561 . 1 1 50 50 TYR HE2 H 1 6.704 0.006 . 1 . . . A 68 TYR QE . 25028 1 562 . 1 1 50 50 TYR CA C 13 58.381 0.125 . 1 . . . A 68 TYR CA . 25028 1 563 . 1 1 50 50 TYR CB C 13 37.808 0.125 . 1 . . . A 68 TYR CB . 25028 1 564 . 1 1 50 50 TYR CD1 C 13 131.772 0.125 . 3 . . . A 68 TYR CD1 . 25028 1 565 . 1 1 50 50 TYR CD2 C 13 131.772 0.125 . 3 . . . A 68 TYR CD2 . 25028 1 566 . 1 1 50 50 TYR CE1 C 13 118.269 0.125 . 3 . . . A 68 TYR CE1 . 25028 1 567 . 1 1 50 50 TYR CE2 C 13 118.269 0.125 . 3 . . . A 68 TYR CE2 . 25028 1 568 . 1 1 50 50 TYR N N 15 121.711 0.160 . 1 . . . A 68 TYR N . 25028 1 569 . 1 1 51 51 SER H H 1 8.446 0.006 . 1 . . . A 69 SER H . 25028 1 570 . 1 1 51 51 SER HA H 1 5.136 0.006 . 1 . . . A 69 SER HA . 25028 1 571 . 1 1 51 51 SER HB2 H 1 3.524 0.006 . 2 . . . A 69 SER HB2 . 25028 1 572 . 1 1 51 51 SER HB3 H 1 2.241 0.006 . 2 . . . A 69 SER HB3 . 25028 1 573 . 1 1 51 51 SER CA C 13 56.913 0.125 . 1 . . . A 69 SER CA . 25028 1 574 . 1 1 51 51 SER CB C 13 64.241 0.125 . 1 . . . A 69 SER CB . 25028 1 575 . 1 1 51 51 SER N N 15 116.580 0.160 . 1 . . . A 69 SER N . 25028 1 576 . 1 1 52 52 TYR H H 1 8.606 0.006 . 1 . . . A 70 TYR H . 25028 1 577 . 1 1 52 52 TYR HA H 1 6.090 0.006 . 1 . . . A 70 TYR HA . 25028 1 578 . 1 1 52 52 TYR HB2 H 1 2.813 0.006 . 2 . . . A 70 TYR HB2 . 25028 1 579 . 1 1 52 52 TYR HB3 H 1 2.352 0.006 . 2 . . . A 70 TYR HB3 . 25028 1 580 . 1 1 52 52 TYR HD1 H 1 6.613 0.006 . 1 . . . A 70 TYR QD . 25028 1 581 . 1 1 52 52 TYR HD2 H 1 6.613 0.006 . 1 . . . A 70 TYR QD . 25028 1 582 . 1 1 52 52 TYR HE1 H 1 6.419 0.006 . 1 . . . A 70 TYR QE . 25028 1 583 . 1 1 52 52 TYR HE2 H 1 6.419 0.006 . 1 . . . A 70 TYR QE . 25028 1 584 . 1 1 52 52 TYR CA C 13 56.154 0.125 . 1 . . . A 70 TYR CA . 25028 1 585 . 1 1 52 52 TYR CB C 13 41.258 0.125 . 1 . . . A 70 TYR CB . 25028 1 586 . 1 1 52 52 TYR CD1 C 13 133.130 0.125 . 3 . . . A 70 TYR CD1 . 25028 1 587 . 1 1 52 52 TYR CD2 C 13 133.126 0.125 . 3 . . . A 70 TYR CD2 . 25028 1 588 . 1 1 52 52 TYR CE1 C 13 116.520 0.125 . 3 . . . A 70 TYR CE1 . 25028 1 589 . 1 1 52 52 TYR CE2 C 13 116.527 0.125 . 3 . . . A 70 TYR CE2 . 25028 1 590 . 1 1 52 52 TYR N N 15 117.000 0.160 . 1 . . . A 70 TYR N . 25028 1 591 . 1 1 53 53 LEU H H 1 8.681 0.006 . 1 . . . A 71 LEU H . 25028 1 592 . 1 1 53 53 LEU HA H 1 5.847 0.006 . 1 . . . A 71 LEU HA . 25028 1 593 . 1 1 53 53 LEU HB2 H 1 2.007 0.006 . 2 . . . A 71 LEU HB2 . 25028 1 594 . 1 1 53 53 LEU HB3 H 1 1.541 0.006 . 2 . . . A 71 LEU HB3 . 25028 1 595 . 1 1 53 53 LEU HG H 1 1.982 0.006 . 1 . . . A 71 LEU HG . 25028 1 596 . 1 1 53 53 LEU HD11 H 1 0.847 0.006 . 2 . . . A 71 LEU QD1 . 25028 1 597 . 1 1 53 53 LEU HD12 H 1 0.847 0.006 . 2 . . . A 71 LEU QD1 . 25028 1 598 . 1 1 53 53 LEU HD13 H 1 0.847 0.006 . 2 . . . A 71 LEU QD1 . 25028 1 599 . 1 1 53 53 LEU HD21 H 1 1.162 0.006 . 2 . . . A 71 LEU QD2 . 25028 1 600 . 1 1 53 53 LEU HD22 H 1 1.162 0.006 . 2 . . . A 71 LEU QD2 . 25028 1 601 . 1 1 53 53 LEU HD23 H 1 1.162 0.006 . 2 . . . A 71 LEU QD2 . 25028 1 602 . 1 1 53 53 LEU CA C 13 53.076 0.125 . 1 . . . A 71 LEU CA . 25028 1 603 . 1 1 53 53 LEU CB C 13 46.636 0.125 . 1 . . . A 71 LEU CB . 25028 1 604 . 1 1 53 53 LEU CG C 13 26.994 0.125 . 1 . . . A 71 LEU CG . 25028 1 605 . 1 1 53 53 LEU CD1 C 13 26.307 0.125 . 2 . . . A 71 LEU CD1 . 25028 1 606 . 1 1 53 53 LEU CD2 C 13 23.806 0.125 . 2 . . . A 71 LEU CD2 . 25028 1 607 . 1 1 53 53 LEU N N 15 116.024 0.160 . 1 . . . A 71 LEU N . 25028 1 608 . 1 1 54 54 VAL H H 1 9.082 0.006 . 1 . . . A 72 VAL H . 25028 1 609 . 1 1 54 54 VAL HA H 1 4.896 0.006 . 1 . . . A 72 VAL HA . 25028 1 610 . 1 1 54 54 VAL HB H 1 2.062 0.006 . 1 . . . A 72 VAL HB . 25028 1 611 . 1 1 54 54 VAL HG11 H 1 0.874 0.006 . 2 . . . A 72 VAL QG1 . 25028 1 612 . 1 1 54 54 VAL HG12 H 1 0.874 0.006 . 2 . . . A 72 VAL QG1 . 25028 1 613 . 1 1 54 54 VAL HG13 H 1 0.874 0.006 . 2 . . . A 72 VAL QG1 . 25028 1 614 . 1 1 54 54 VAL HG21 H 1 1.265 0.006 . 2 . . . A 72 VAL QG2 . 25028 1 615 . 1 1 54 54 VAL HG22 H 1 1.265 0.006 . 2 . . . A 72 VAL QG2 . 25028 1 616 . 1 1 54 54 VAL HG23 H 1 1.265 0.006 . 2 . . . A 72 VAL QG2 . 25028 1 617 . 1 1 54 54 VAL CA C 13 60.174 0.125 . 1 . . . A 72 VAL CA . 25028 1 618 . 1 1 54 54 VAL CB C 13 36.448 0.125 . 1 . . . A 72 VAL CB . 25028 1 619 . 1 1 54 54 VAL CG1 C 13 19.543 0.125 . 2 . . . A 72 VAL CG1 . 25028 1 620 . 1 1 54 54 VAL CG2 C 13 21.569 0.125 . 2 . . . A 72 VAL CG2 . 25028 1 621 . 1 1 54 54 VAL N N 15 119.827 0.160 . 1 . . . A 72 VAL N . 25028 1 622 . 1 1 55 55 ALA H H 1 9.130 0.006 . 1 . . . A 73 ALA H . 25028 1 623 . 1 1 55 55 ALA HA H 1 5.074 0.006 . 1 . . . A 73 ALA HA . 25028 1 624 . 1 1 55 55 ALA HB1 H 1 1.459 0.006 . 1 . . . A 73 ALA QB . 25028 1 625 . 1 1 55 55 ALA HB2 H 1 1.459 0.006 . 1 . . . A 73 ALA QB . 25028 1 626 . 1 1 55 55 ALA HB3 H 1 1.459 0.006 . 1 . . . A 73 ALA QB . 25028 1 627 . 1 1 55 55 ALA CA C 13 50.753 0.125 . 1 . . . A 73 ALA CA . 25028 1 628 . 1 1 55 55 ALA CB C 13 19.137 0.125 . 1 . . . A 73 ALA CB . 25028 1 629 . 1 1 55 55 ALA N N 15 128.802 0.160 . 1 . . . A 73 ALA N . 25028 1 630 . 1 1 56 56 ALA H H 1 9.258 0.006 . 1 . . . A 74 ALA H . 25028 1 631 . 1 1 56 56 ALA HA H 1 4.043 0.006 . 1 . . . A 74 ALA HA . 25028 1 632 . 1 1 56 56 ALA HB1 H 1 1.464 0.006 . 1 . . . A 74 ALA QB . 25028 1 633 . 1 1 56 56 ALA HB2 H 1 1.464 0.006 . 1 . . . A 74 ALA QB . 25028 1 634 . 1 1 56 56 ALA HB3 H 1 1.464 0.006 . 1 . . . A 74 ALA QB . 25028 1 635 . 1 1 56 56 ALA CA C 13 53.961 0.125 . 1 . . . A 74 ALA CA . 25028 1 636 . 1 1 56 56 ALA CB C 13 18.211 0.125 . 1 . . . A 74 ALA CB . 25028 1 637 . 1 1 56 56 ALA N N 15 125.487 0.160 . 1 . . . A 74 ALA N . 25028 1 638 . 1 1 57 57 ASP H H 1 8.239 0.006 . 1 . . . A 75 ASP H . 25028 1 639 . 1 1 57 57 ASP HA H 1 4.662 0.006 . 1 . . . A 75 ASP HA . 25028 1 640 . 1 1 57 57 ASP HB2 H 1 2.760 0.006 . 2 . . . A 75 ASP HB2 . 25028 1 641 . 1 1 57 57 ASP HB3 H 1 2.864 0.006 . 2 . . . A 75 ASP HB3 . 25028 1 642 . 1 1 57 57 ASP CA C 13 53.247 0.125 . 1 . . . A 75 ASP CA . 25028 1 643 . 1 1 57 57 ASP CB C 13 39.942 0.125 . 1 . . . A 75 ASP CB . 25028 1 644 . 1 1 57 57 ASP N N 15 114.298 0.160 . 1 . . . A 75 ASP N . 25028 1 645 . 1 1 58 58 ASP H H 1 7.789 0.006 . 1 . . . A 76 ASP H . 25028 1 646 . 1 1 58 58 ASP HA H 1 4.972 0.006 . 1 . . . A 76 ASP HA . 25028 1 647 . 1 1 58 58 ASP HB2 H 1 2.920 0.006 . 2 . . . A 76 ASP HB2 . 25028 1 648 . 1 1 58 58 ASP HB3 H 1 2.588 0.006 . 2 . . . A 76 ASP HB3 . 25028 1 649 . 1 1 58 58 ASP CA C 13 53.174 0.125 . 1 . . . A 76 ASP CA . 25028 1 650 . 1 1 58 58 ASP CB C 13 41.062 0.125 . 1 . . . A 76 ASP CB . 25028 1 651 . 1 1 58 58 ASP N N 15 120.498 0.160 . 1 . . . A 76 ASP N . 25028 1 652 . 1 1 59 59 GLN H H 1 8.841 0.006 . 1 . . . A 77 GLN H . 25028 1 653 . 1 1 59 59 GLN HA H 1 4.192 0.006 . 1 . . . A 77 GLN HA . 25028 1 654 . 1 1 59 59 GLN HB2 H 1 1.990 0.006 . 2 . . . A 77 GLN HB2 . 25028 1 655 . 1 1 59 59 GLN HB3 H 1 2.226 0.006 . 2 . . . A 77 GLN HB3 . 25028 1 656 . 1 1 59 59 GLN HG2 H 1 2.521 0.006 . 2 . . . A 77 GLN HG2 . 25028 1 657 . 1 1 59 59 GLN HG3 H 1 2.410 0.006 . 2 . . . A 77 GLN HG3 . 25028 1 658 . 1 1 59 59 GLN HE21 H 1 7.602 0.006 . 2 . . . A 77 GLN HE21 . 25028 1 659 . 1 1 59 59 GLN HE22 H 1 6.783 0.006 . 2 . . . A 77 GLN HE22 . 25028 1 660 . 1 1 59 59 GLN CA C 13 57.482 0.125 . 1 . . . A 77 GLN CA . 25028 1 661 . 1 1 59 59 GLN CB C 13 28.540 0.125 . 1 . . . A 77 GLN CB . 25028 1 662 . 1 1 59 59 GLN CG C 13 33.998 0.125 . 1 . . . A 77 GLN CG . 25028 1 663 . 1 1 59 59 GLN N N 15 122.765 0.160 . 1 . . . A 77 GLN N . 25028 1 664 . 1 1 59 59 GLN NE2 N 15 112.092 0.160 . 1 . . . A 77 GLN NE2 . 25028 1 665 . 1 1 60 60 ASP H H 1 8.240 0.006 . 1 . . . A 78 ASP H . 25028 1 666 . 1 1 60 60 ASP HA H 1 4.886 0.006 . 1 . . . A 78 ASP HA . 25028 1 667 . 1 1 60 60 ASP HB2 H 1 2.695 0.006 . 2 . . . A 78 ASP HB2 . 25028 1 668 . 1 1 60 60 ASP HB3 H 1 2.918 0.006 . 2 . . . A 78 ASP HB3 . 25028 1 669 . 1 1 60 60 ASP CA C 13 54.377 0.125 . 1 . . . A 78 ASP CA . 25028 1 670 . 1 1 60 60 ASP CB C 13 41.714 0.125 . 1 . . . A 78 ASP CB . 25028 1 671 . 1 1 60 60 ASP N N 15 117.081 0.160 . 1 . . . A 78 ASP N . 25028 1 672 . 1 1 61 61 GLY H H 1 8.034 0.006 . 1 . . . A 79 GLY H . 25028 1 673 . 1 1 61 61 GLY HA2 H 1 4.408 0.006 . 2 . . . A 79 GLY HA2 . 25028 1 674 . 1 1 61 61 GLY HA3 H 1 3.801 0.006 . 2 . . . A 79 GLY HA3 . 25028 1 675 . 1 1 61 61 GLY CA C 13 45.147 0.125 . 1 . . . A 79 GLY CA . 25028 1 676 . 1 1 61 61 GLY N N 15 111.743 0.160 . 1 . . . A 79 GLY N . 25028 1 677 . 1 1 62 62 THR H H 1 7.703 0.006 . 1 . . . A 80 THR H . 25028 1 678 . 1 1 62 62 THR HA H 1 4.316 0.006 . 1 . . . A 80 THR HA . 25028 1 679 . 1 1 62 62 THR HB H 1 3.250 0.006 . 1 . . . A 80 THR HB . 25028 1 680 . 1 1 62 62 THR HG21 H 1 -0.158 0.006 . 1 . . . A 80 THR QG2 . 25028 1 681 . 1 1 62 62 THR HG22 H 1 -0.158 0.006 . 1 . . . A 80 THR QG2 . 25028 1 682 . 1 1 62 62 THR HG23 H 1 -0.158 0.006 . 1 . . . A 80 THR QG2 . 25028 1 683 . 1 1 62 62 THR CA C 13 63.280 0.125 . 1 . . . A 80 THR CA . 25028 1 684 . 1 1 62 62 THR CB C 13 69.119 0.125 . 1 . . . A 80 THR CB . 25028 1 685 . 1 1 62 62 THR CG2 C 13 18.879 0.125 . 1 . . . A 80 THR CG2 . 25028 1 686 . 1 1 62 62 THR N N 15 120.299 0.160 . 1 . . . A 80 THR N . 25028 1 687 . 1 1 63 63 ILE H H 1 8.072 0.006 . 1 . . . A 81 ILE H . 25028 1 688 . 1 1 63 63 ILE HA H 1 4.697 0.006 . 1 . . . A 81 ILE HA . 25028 1 689 . 1 1 63 63 ILE HB H 1 1.552 0.006 . 1 . . . A 81 ILE HB . 25028 1 690 . 1 1 63 63 ILE HG12 H 1 1.474 0.006 . 2 . . . A 81 ILE HG12 . 25028 1 691 . 1 1 63 63 ILE HG13 H 1 0.032 0.006 . 2 . . . A 81 ILE HG13 . 25028 1 692 . 1 1 63 63 ILE HG21 H 1 0.672 0.006 . 1 . . . A 81 ILE QG2 . 25028 1 693 . 1 1 63 63 ILE HG22 H 1 0.672 0.006 . 1 . . . A 81 ILE QG2 . 25028 1 694 . 1 1 63 63 ILE HG23 H 1 0.672 0.006 . 1 . . . A 81 ILE QG2 . 25028 1 695 . 1 1 63 63 ILE HD11 H 1 0.318 0.006 . 1 . . . A 81 ILE QD1 . 25028 1 696 . 1 1 63 63 ILE HD12 H 1 0.318 0.006 . 1 . . . A 81 ILE QD1 . 25028 1 697 . 1 1 63 63 ILE HD13 H 1 0.318 0.006 . 1 . . . A 81 ILE QD1 . 25028 1 698 . 1 1 63 63 ILE CA C 13 60.490 0.125 . 1 . . . A 81 ILE CA . 25028 1 699 . 1 1 63 63 ILE CB C 13 41.359 0.125 . 1 . . . A 81 ILE CB . 25028 1 700 . 1 1 63 63 ILE CG1 C 13 27.375 0.125 . 1 . . . A 81 ILE CG1 . 25028 1 701 . 1 1 63 63 ILE CG2 C 13 15.611 0.125 . 1 . . . A 81 ILE CG2 . 25028 1 702 . 1 1 63 63 ILE CD1 C 13 14.897 0.125 . 1 . . . A 81 ILE CD1 . 25028 1 703 . 1 1 63 63 ILE N N 15 123.458 0.160 . 1 . . . A 81 ILE N . 25028 1 704 . 1 1 64 64 ILE H H 1 7.994 0.006 . 1 . . . A 82 ILE H . 25028 1 705 . 1 1 64 64 ILE HA H 1 4.532 0.006 . 1 . . . A 82 ILE HA . 25028 1 706 . 1 1 64 64 ILE HB H 1 1.898 0.006 . 1 . . . A 82 ILE HB . 25028 1 707 . 1 1 64 64 ILE HG12 H 1 1.372 0.006 . 2 . . . A 82 ILE HG12 . 25028 1 708 . 1 1 64 64 ILE HG13 H 1 0.849 0.006 . 2 . . . A 82 ILE HG13 . 25028 1 709 . 1 1 64 64 ILE HG21 H 1 0.858 0.006 . 1 . . . A 82 ILE QG2 . 25028 1 710 . 1 1 64 64 ILE HG22 H 1 0.858 0.006 . 1 . . . A 82 ILE QG2 . 25028 1 711 . 1 1 64 64 ILE HG23 H 1 0.858 0.006 . 1 . . . A 82 ILE QG2 . 25028 1 712 . 1 1 64 64 ILE HD11 H 1 0.670 0.006 . 1 . . . A 82 ILE QD1 . 25028 1 713 . 1 1 64 64 ILE HD12 H 1 0.670 0.006 . 1 . . . A 82 ILE QD1 . 25028 1 714 . 1 1 64 64 ILE HD13 H 1 0.670 0.006 . 1 . . . A 82 ILE QD1 . 25028 1 715 . 1 1 64 64 ILE CA C 13 59.931 0.125 . 1 . . . A 82 ILE CA . 25028 1 716 . 1 1 64 64 ILE CB C 13 40.771 0.125 . 1 . . . A 82 ILE CB . 25028 1 717 . 1 1 64 64 ILE CG1 C 13 26.894 0.125 . 1 . . . A 82 ILE CG1 . 25028 1 718 . 1 1 64 64 ILE CG2 C 13 17.198 0.125 . 1 . . . A 82 ILE CG2 . 25028 1 719 . 1 1 64 64 ILE CD1 C 13 13.927 0.125 . 1 . . . A 82 ILE CD1 . 25028 1 720 . 1 1 64 64 ILE N N 15 124.034 0.160 . 1 . . . A 82 ILE N . 25028 1 721 . 1 1 65 65 PHE H H 1 9.651 0.006 . 1 . . . A 83 PHE H . 25028 1 722 . 1 1 65 65 PHE HA H 1 6.095 0.006 . 1 . . . A 83 PHE HA . 25028 1 723 . 1 1 65 65 PHE HB2 H 1 3.293 0.006 . 2 . . . A 83 PHE HB2 . 25028 1 724 . 1 1 65 65 PHE HB3 H 1 3.401 0.006 . 2 . . . A 83 PHE HB3 . 25028 1 725 . 1 1 65 65 PHE HD1 H 1 7.214 0.006 . 1 . . . A 83 PHE QD . 25028 1 726 . 1 1 65 65 PHE HD2 H 1 7.214 0.006 . 1 . . . A 83 PHE QD . 25028 1 727 . 1 1 65 65 PHE HE1 H 1 6.984 0.006 . 1 . . . A 83 PHE QE . 25028 1 728 . 1 1 65 65 PHE HE2 H 1 6.984 0.006 . 1 . . . A 83 PHE QE . 25028 1 729 . 1 1 65 65 PHE HZ H 1 7.041 0.006 . 1 . . . A 83 PHE HZ . 25028 1 730 . 1 1 65 65 PHE CA C 13 56.026 0.125 . 1 . . . A 83 PHE CA . 25028 1 731 . 1 1 65 65 PHE CB C 13 40.728 0.125 . 1 . . . A 83 PHE CB . 25028 1 732 . 1 1 65 65 PHE CD1 C 13 132.094 0.125 . 3 . . . A 83 PHE CD1 . 25028 1 733 . 1 1 65 65 PHE CD2 C 13 132.088 0.125 . 3 . . . A 83 PHE CD2 . 25028 1 734 . 1 1 65 65 PHE CE1 C 13 130.465 0.125 . 3 . . . A 83 PHE CE1 . 25028 1 735 . 1 1 65 65 PHE CE2 C 13 130.469 0.125 . 3 . . . A 83 PHE CE2 . 25028 1 736 . 1 1 65 65 PHE CZ C 13 128.852 0.125 . 1 . . . A 83 PHE CZ . 25028 1 737 . 1 1 65 65 PHE N N 15 124.752 0.160 . 1 . . . A 83 PHE N . 25028 1 738 . 1 1 66 66 PHE H H 1 9.442 0.006 . 1 . . . A 84 PHE H . 25028 1 739 . 1 1 66 66 PHE HA H 1 6.299 0.006 . 1 . . . A 84 PHE HA . 25028 1 740 . 1 1 66 66 PHE HB2 H 1 2.989 0.006 . 2 . . . A 84 PHE HB2 . 25028 1 741 . 1 1 66 66 PHE HB3 H 1 2.666 0.006 . 2 . . . A 84 PHE HB3 . 25028 1 742 . 1 1 66 66 PHE HD1 H 1 6.904 0.006 . 1 . . . A 84 PHE QD . 25028 1 743 . 1 1 66 66 PHE HD2 H 1 6.904 0.006 . 1 . . . A 84 PHE QD . 25028 1 744 . 1 1 66 66 PHE HE1 H 1 6.891 0.006 . 1 . . . A 84 PHE QE . 25028 1 745 . 1 1 66 66 PHE HE2 H 1 6.891 0.006 . 1 . . . A 84 PHE QE . 25028 1 746 . 1 1 66 66 PHE CA C 13 55.526 0.125 . 1 . . . A 84 PHE CA . 25028 1 747 . 1 1 66 66 PHE CB C 13 41.698 0.125 . 1 . . . A 84 PHE CB . 25028 1 748 . 1 1 66 66 PHE CD1 C 13 131.466 0.125 . 3 . . . A 84 PHE CD1 . 25028 1 749 . 1 1 66 66 PHE CD2 C 13 131.459 0.125 . 3 . . . A 84 PHE CD2 . 25028 1 750 . 1 1 66 66 PHE CE1 C 13 128.104 0.125 . 3 . . . A 84 PHE CE1 . 25028 1 751 . 1 1 66 66 PHE CE2 C 13 128.105 0.125 . 3 . . . A 84 PHE CE2 . 25028 1 752 . 1 1 66 66 PHE N N 15 119.121 0.160 . 1 . . . A 84 PHE N . 25028 1 753 . 1 1 67 67 LYS H H 1 8.787 0.006 . 1 . . . A 85 LYS H . 25028 1 754 . 1 1 67 67 LYS HA H 1 4.420 0.006 . 1 . . . A 85 LYS HA . 25028 1 755 . 1 1 67 67 LYS HB2 H 1 1.022 0.006 . 2 . . . A 85 LYS HB2 . 25028 1 756 . 1 1 67 67 LYS HB3 H 1 0.176 0.006 . 2 . . . A 85 LYS HB3 . 25028 1 757 . 1 1 67 67 LYS HG2 H 1 1.054 0.006 . 2 . . . A 85 LYS HG2 . 25028 1 758 . 1 1 67 67 LYS HG3 H 1 0.967 0.006 . 2 . . . A 85 LYS HG3 . 25028 1 759 . 1 1 67 67 LYS HD2 H 1 1.420 0.006 . 2 . . . A 85 LYS HD2 . 25028 1 760 . 1 1 67 67 LYS HD3 H 1 1.282 0.006 . 2 . . . A 85 LYS HD3 . 25028 1 761 . 1 1 67 67 LYS HE2 H 1 2.864 0.006 . 1 . . . A 85 LYS QE . 25028 1 762 . 1 1 67 67 LYS HE3 H 1 2.864 0.006 . 1 . . . A 85 LYS QE . 25028 1 763 . 1 1 67 67 LYS CA C 13 54.536 0.125 . 1 . . . A 85 LYS CA . 25028 1 764 . 1 1 67 67 LYS CB C 13 34.020 0.125 . 1 . . . A 85 LYS CB . 25028 1 765 . 1 1 67 67 LYS CG C 13 24.596 0.125 . 1 . . . A 85 LYS CG . 25028 1 766 . 1 1 67 67 LYS CD C 13 29.218 0.125 . 1 . . . A 85 LYS CD . 25028 1 767 . 1 1 67 67 LYS CE C 13 42.337 0.125 . 1 . . . A 85 LYS CE . 25028 1 768 . 1 1 67 67 LYS N N 15 120.999 0.160 . 1 . . . A 85 LYS N . 25028 1 769 . 1 1 68 68 ALA H H 1 8.912 0.006 . 1 . . . A 86 ALA H . 25028 1 770 . 1 1 68 68 ALA HA H 1 5.042 0.006 . 1 . . . A 86 ALA HA . 25028 1 771 . 1 1 68 68 ALA HB1 H 1 1.503 0.006 . 1 . . . A 86 ALA QB . 25028 1 772 . 1 1 68 68 ALA HB2 H 1 1.503 0.006 . 1 . . . A 86 ALA QB . 25028 1 773 . 1 1 68 68 ALA HB3 H 1 1.503 0.006 . 1 . . . A 86 ALA QB . 25028 1 774 . 1 1 68 68 ALA CA C 13 50.932 0.125 . 1 . . . A 86 ALA CA . 25028 1 775 . 1 1 68 68 ALA CB C 13 19.340 0.125 . 1 . . . A 86 ALA CB . 25028 1 776 . 1 1 68 68 ALA N N 15 130.132 0.160 . 1 . . . A 86 ALA N . 25028 1 777 . 1 1 69 69 GLU H H 1 8.922 0.006 . 1 . . . A 87 GLU H . 25028 1 778 . 1 1 69 69 GLU HA H 1 4.596 0.006 . 1 . . . A 87 GLU HA . 25028 1 779 . 1 1 69 69 GLU HB2 H 1 2.020 0.006 . 2 . . . A 87 GLU HB2 . 25028 1 780 . 1 1 69 69 GLU HB3 H 1 1.858 0.006 . 2 . . . A 87 GLU HB3 . 25028 1 781 . 1 1 69 69 GLU HG2 H 1 2.188 0.006 . 2 . . . A 87 GLU HG2 . 25028 1 782 . 1 1 69 69 GLU HG3 H 1 2.147 0.006 . 2 . . . A 87 GLU HG3 . 25028 1 783 . 1 1 69 69 GLU CA C 13 54.753 0.125 . 1 . . . A 87 GLU CA . 25028 1 784 . 1 1 69 69 GLU CB C 13 30.615 0.125 . 1 . . . A 87 GLU CB . 25028 1 785 . 1 1 69 69 GLU CG C 13 35.866 0.125 . 1 . . . A 87 GLU CG . 25028 1 786 . 1 1 69 69 GLU N N 15 126.526 0.160 . 1 . . . A 87 GLU N . 25028 1 787 . 1 1 70 70 GLY H H 1 8.790 0.006 . 1 . . . A 88 GLY H . 25028 1 788 . 1 1 70 70 GLY HA2 H 1 3.725 0.006 . 2 . . . A 88 GLY HA2 . 25028 1 789 . 1 1 70 70 GLY HA3 H 1 4.147 0.006 . 2 . . . A 88 GLY HA3 . 25028 1 790 . 1 1 70 70 GLY CA C 13 47.040 0.125 . 1 . . . A 88 GLY CA . 25028 1 791 . 1 1 70 70 GLY N N 15 115.459 0.160 . 1 . . . A 88 GLY N . 25028 1 792 . 1 1 71 71 GLN H H 1 8.080 0.006 . 1 . . . A 89 GLN H . 25028 1 793 . 1 1 71 71 GLN HA H 1 4.503 0.006 . 1 . . . A 89 GLN HA . 25028 1 794 . 1 1 71 71 GLN HB2 H 1 2.623 0.006 . 2 . . . A 89 GLN HB2 . 25028 1 795 . 1 1 71 71 GLN HB3 H 1 2.124 0.006 . 2 . . . A 89 GLN HB3 . 25028 1 796 . 1 1 71 71 GLN HG2 H 1 2.518 0.006 . 1 . . . A 89 GLN QG . 25028 1 797 . 1 1 71 71 GLN HG3 H 1 2.518 0.006 . 1 . . . A 89 GLN QG . 25028 1 798 . 1 1 71 71 GLN HE21 H 1 6.852 0.006 . 2 . . . A 89 GLN HE21 . 25028 1 799 . 1 1 71 71 GLN HE22 H 1 7.822 0.006 . 2 . . . A 89 GLN HE22 . 25028 1 800 . 1 1 71 71 GLN CA C 13 55.410 0.125 . 1 . . . A 89 GLN CA . 25028 1 801 . 1 1 71 71 GLN CB C 13 29.003 0.125 . 1 . . . A 89 GLN CB . 25028 1 802 . 1 1 71 71 GLN CG C 13 33.909 0.125 . 1 . . . A 89 GLN CG . 25028 1 803 . 1 1 71 71 GLN N N 15 116.778 0.160 . 1 . . . A 89 GLN N . 25028 1 804 . 1 1 71 71 GLN NE2 N 15 112.085 0.160 . 1 . . . A 89 GLN NE2 . 25028 1 805 . 1 1 72 72 THR H H 1 8.072 0.006 . 1 . . . A 90 THR H . 25028 1 806 . 1 1 72 72 THR HA H 1 4.726 0.006 . 1 . . . A 90 THR HA . 25028 1 807 . 1 1 72 72 THR HB H 1 4.206 0.006 . 1 . . . A 90 THR HB . 25028 1 808 . 1 1 72 72 THR HG21 H 1 1.217 0.006 . 1 . . . A 90 THR QG2 . 25028 1 809 . 1 1 72 72 THR HG22 H 1 1.217 0.006 . 1 . . . A 90 THR QG2 . 25028 1 810 . 1 1 72 72 THR HG23 H 1 1.217 0.006 . 1 . . . A 90 THR QG2 . 25028 1 811 . 1 1 72 72 THR CA C 13 62.134 0.125 . 1 . . . A 90 THR CA . 25028 1 812 . 1 1 72 72 THR CB C 13 70.713 0.125 . 1 . . . A 90 THR CB . 25028 1 813 . 1 1 72 72 THR CG2 C 13 22.017 0.125 . 1 . . . A 90 THR CG2 . 25028 1 814 . 1 1 72 72 THR N N 15 116.670 0.160 . 1 . . . A 90 THR N . 25028 1 815 . 1 1 73 73 VAL H H 1 9.264 0.006 . 1 . . . A 91 VAL H . 25028 1 816 . 1 1 73 73 VAL HA H 1 4.692 0.006 . 1 . . . A 91 VAL HA . 25028 1 817 . 1 1 73 73 VAL HB H 1 1.967 0.006 . 1 . . . A 91 VAL HB . 25028 1 818 . 1 1 73 73 VAL HG11 H 1 0.814 0.006 . 2 . . . A 91 VAL QG1 . 25028 1 819 . 1 1 73 73 VAL HG12 H 1 0.814 0.006 . 2 . . . A 91 VAL QG1 . 25028 1 820 . 1 1 73 73 VAL HG13 H 1 0.814 0.006 . 2 . . . A 91 VAL QG1 . 25028 1 821 . 1 1 73 73 VAL HG21 H 1 0.796 0.006 . 2 . . . A 91 VAL QG2 . 25028 1 822 . 1 1 73 73 VAL HG22 H 1 0.796 0.006 . 2 . . . A 91 VAL QG2 . 25028 1 823 . 1 1 73 73 VAL HG23 H 1 0.796 0.006 . 2 . . . A 91 VAL QG2 . 25028 1 824 . 1 1 73 73 VAL CA C 13 60.702 0.125 . 1 . . . A 91 VAL CA . 25028 1 825 . 1 1 73 73 VAL CB C 13 33.374 0.125 . 1 . . . A 91 VAL CB . 25028 1 826 . 1 1 73 73 VAL CG1 C 13 21.844 0.125 . 2 . . . A 91 VAL CG1 . 25028 1 827 . 1 1 73 73 VAL CG2 C 13 20.739 0.125 . 2 . . . A 91 VAL CG2 . 25028 1 828 . 1 1 73 73 VAL N N 15 125.488 0.160 . 1 . . . A 91 VAL N . 25028 1 829 . 1 1 74 74 ILE H H 1 8.805 0.006 . 1 . . . A 92 ILE H . 25028 1 830 . 1 1 74 74 ILE HA H 1 4.564 0.006 . 1 . . . A 92 ILE HA . 25028 1 831 . 1 1 74 74 ILE HB H 1 2.098 0.006 . 1 . . . A 92 ILE HB . 25028 1 832 . 1 1 74 74 ILE HG12 H 1 1.625 0.006 . 2 . . . A 92 ILE HG12 . 25028 1 833 . 1 1 74 74 ILE HG13 H 1 1.345 0.006 . 2 . . . A 92 ILE HG13 . 25028 1 834 . 1 1 74 74 ILE HG21 H 1 1.161 0.006 . 1 . . . A 92 ILE QG2 . 25028 1 835 . 1 1 74 74 ILE HG22 H 1 1.161 0.006 . 1 . . . A 92 ILE QG2 . 25028 1 836 . 1 1 74 74 ILE HG23 H 1 1.161 0.006 . 1 . . . A 92 ILE QG2 . 25028 1 837 . 1 1 74 74 ILE HD11 H 1 0.922 0.006 . 1 . . . A 92 ILE QD1 . 25028 1 838 . 1 1 74 74 ILE HD12 H 1 0.922 0.006 . 1 . . . A 92 ILE QD1 . 25028 1 839 . 1 1 74 74 ILE HD13 H 1 0.922 0.006 . 1 . . . A 92 ILE QD1 . 25028 1 840 . 1 1 74 74 ILE CA C 13 60.277 0.125 . 1 . . . A 92 ILE CA . 25028 1 841 . 1 1 74 74 ILE CB C 13 38.023 0.125 . 1 . . . A 92 ILE CB . 25028 1 842 . 1 1 74 74 ILE CG1 C 13 27.716 0.125 . 1 . . . A 92 ILE CG1 . 25028 1 843 . 1 1 74 74 ILE CG2 C 13 18.801 0.125 . 1 . . . A 92 ILE CG2 . 25028 1 844 . 1 1 74 74 ILE CD1 C 13 12.450 0.125 . 1 . . . A 92 ILE CD1 . 25028 1 845 . 1 1 74 74 ILE N N 15 128.660 0.160 . 1 . . . A 92 ILE N . 25028 1 846 . 1 1 75 75 ILE H H 1 9.022 0.006 . 1 . . . A 93 ILE H . 25028 1 847 . 1 1 75 75 ILE HA H 1 5.312 0.006 . 1 . . . A 93 ILE HA . 25028 1 848 . 1 1 75 75 ILE HB H 1 1.918 0.006 . 1 . . . A 93 ILE HB . 25028 1 849 . 1 1 75 75 ILE HG12 H 1 0.895 0.006 . 2 . . . A 93 ILE HG12 . 25028 1 850 . 1 1 75 75 ILE HG13 H 1 1.828 0.006 . 2 . . . A 93 ILE HG13 . 25028 1 851 . 1 1 75 75 ILE HG21 H 1 1.065 0.006 . 1 . . . A 93 ILE QG2 . 25028 1 852 . 1 1 75 75 ILE HG22 H 1 1.065 0.006 . 1 . . . A 93 ILE QG2 . 25028 1 853 . 1 1 75 75 ILE HG23 H 1 1.065 0.006 . 1 . . . A 93 ILE QG2 . 25028 1 854 . 1 1 75 75 ILE HD11 H 1 0.806 0.006 . 1 . . . A 93 ILE QD1 . 25028 1 855 . 1 1 75 75 ILE HD12 H 1 0.806 0.006 . 1 . . . A 93 ILE QD1 . 25028 1 856 . 1 1 75 75 ILE HD13 H 1 0.806 0.006 . 1 . . . A 93 ILE QD1 . 25028 1 857 . 1 1 75 75 ILE CA C 13 59.556 0.125 . 1 . . . A 93 ILE CA . 25028 1 858 . 1 1 75 75 ILE CB C 13 40.607 0.125 . 1 . . . A 93 ILE CB . 25028 1 859 . 1 1 75 75 ILE CG1 C 13 27.963 0.125 . 1 . . . A 93 ILE CG1 . 25028 1 860 . 1 1 75 75 ILE CG2 C 13 19.302 0.125 . 1 . . . A 93 ILE CG2 . 25028 1 861 . 1 1 75 75 ILE CD1 C 13 14.881 0.125 . 1 . . . A 93 ILE CD1 . 25028 1 862 . 1 1 75 75 ILE N N 15 126.815 0.160 . 1 . . . A 93 ILE N . 25028 1 863 . 1 1 76 76 LYS H H 1 9.676 0.006 . 1 . . . A 94 LYS H . 25028 1 864 . 1 1 76 76 LYS HA H 1 5.981 0.006 . 1 . . . A 94 LYS HA . 25028 1 865 . 1 1 76 76 LYS HB2 H 1 1.746 0.006 . 2 . . . A 94 LYS HB2 . 25028 1 866 . 1 1 76 76 LYS HB3 H 1 1.701 0.006 . 2 . . . A 94 LYS HB3 . 25028 1 867 . 1 1 76 76 LYS HG2 H 1 1.508 0.006 . 2 . . . A 94 LYS HG2 . 25028 1 868 . 1 1 76 76 LYS HG3 H 1 1.388 0.006 . 2 . . . A 94 LYS HG3 . 25028 1 869 . 1 1 76 76 LYS HD2 H 1 1.249 0.006 . 2 . . . A 94 LYS HD2 . 25028 1 870 . 1 1 76 76 LYS HD3 H 1 1.445 0.006 . 2 . . . A 94 LYS HD3 . 25028 1 871 . 1 1 76 76 LYS HE2 H 1 2.857 0.006 . 1 . . . A 94 LYS QE . 25028 1 872 . 1 1 76 76 LYS HE3 H 1 2.857 0.006 . 1 . . . A 94 LYS QE . 25028 1 873 . 1 1 76 76 LYS CA C 13 54.451 0.125 . 1 . . . A 94 LYS CA . 25028 1 874 . 1 1 76 76 LYS CB C 13 36.336 0.125 . 1 . . . A 94 LYS CB . 25028 1 875 . 1 1 76 76 LYS CG C 13 26.384 0.125 . 1 . . . A 94 LYS CG . 25028 1 876 . 1 1 76 76 LYS CD C 13 29.962 0.125 . 1 . . . A 94 LYS CD . 25028 1 877 . 1 1 76 76 LYS CE C 13 42.383 0.125 . 1 . . . A 94 LYS CE . 25028 1 878 . 1 1 76 76 LYS N N 15 126.455 0.160 . 1 . . . A 94 LYS N . 25028 1 879 . 1 1 77 77 TYR H H 1 9.170 0.006 . 1 . . . A 95 TYR H . 25028 1 880 . 1 1 77 77 TYR HA H 1 5.857 0.006 . 1 . . . A 95 TYR HA . 25028 1 881 . 1 1 77 77 TYR HB2 H 1 3.062 0.006 . 2 . . . A 95 TYR HB2 . 25028 1 882 . 1 1 77 77 TYR HB3 H 1 2.921 0.006 . 2 . . . A 95 TYR HB3 . 25028 1 883 . 1 1 77 77 TYR HD1 H 1 6.849 0.006 . 1 . . . A 95 TYR QD . 25028 1 884 . 1 1 77 77 TYR HD2 H 1 6.849 0.006 . 1 . . . A 95 TYR QD . 25028 1 885 . 1 1 77 77 TYR HE1 H 1 6.598 0.006 . 1 . . . A 95 TYR QE . 25028 1 886 . 1 1 77 77 TYR HE2 H 1 6.598 0.006 . 1 . . . A 95 TYR QE . 25028 1 887 . 1 1 77 77 TYR CA C 13 54.906 0.125 . 1 . . . A 95 TYR CA . 25028 1 888 . 1 1 77 77 TYR CB C 13 42.825 0.125 . 1 . . . A 95 TYR CB . 25028 1 889 . 1 1 77 77 TYR CD1 C 13 133.358 0.125 . 3 . . . A 95 TYR CD1 . 25028 1 890 . 1 1 77 77 TYR CD2 C 13 133.362 0.125 . 3 . . . A 95 TYR CD2 . 25028 1 891 . 1 1 77 77 TYR CE1 C 13 117.540 0.125 . 3 . . . A 95 TYR CE1 . 25028 1 892 . 1 1 77 77 TYR CE2 C 13 117.535 0.125 . 1 . . . A 95 TYR CE2 . 25028 1 893 . 1 1 77 77 TYR N N 15 119.703 0.160 . 1 . . . A 95 TYR N . 25028 1 894 . 1 1 78 78 THR H H 1 8.220 0.006 . 1 . . . A 96 THR H . 25028 1 895 . 1 1 78 78 THR HA H 1 4.642 0.006 . 1 . . . A 96 THR HA . 25028 1 896 . 1 1 78 78 THR HB H 1 4.303 0.006 . 1 . . . A 96 THR HB . 25028 1 897 . 1 1 78 78 THR HG21 H 1 1.063 0.006 . 1 . . . A 96 THR QG2 . 25028 1 898 . 1 1 78 78 THR HG22 H 1 1.063 0.006 . 1 . . . A 96 THR QG2 . 25028 1 899 . 1 1 78 78 THR HG23 H 1 1.063 0.006 . 1 . . . A 96 THR QG2 . 25028 1 900 . 1 1 78 78 THR CA C 13 58.864 0.125 . 1 . . . A 96 THR CA . 25028 1 901 . 1 1 78 78 THR CB C 13 68.774 0.125 . 1 . . . A 96 THR CB . 25028 1 902 . 1 1 78 78 THR CG2 C 13 19.607 0.125 . 1 . . . A 96 THR CG2 . 25028 1 903 . 1 1 78 78 THR N N 15 112.861 0.160 . 1 . . . A 96 THR N . 25028 1 904 . 1 1 79 79 SER H H 1 8.210 0.006 . 1 . . . A 97 SER H . 25028 1 905 . 1 1 79 79 SER HA H 1 4.711 0.006 . 1 . . . A 97 SER HA . 25028 1 906 . 1 1 79 79 SER HB2 H 1 3.847 0.006 . 2 . . . A 97 SER HB2 . 25028 1 907 . 1 1 79 79 SER HB3 H 1 3.933 0.006 . 2 . . . A 97 SER HB3 . 25028 1 908 . 1 1 79 79 SER CA C 13 58.384 0.125 . 1 . . . A 97 SER CA . 25028 1 909 . 1 1 79 79 SER CB C 13 63.729 0.125 . 1 . . . A 97 SER CB . 25028 1 910 . 1 1 79 79 SER N N 15 118.537 0.160 . 1 . . . A 97 SER N . 25028 1 911 . 1 1 80 80 GLN H H 1 7.878 0.006 . 1 . . . A 98 GLN H . 25028 1 912 . 1 1 80 80 GLN HA H 1 4.635 0.006 . 1 . . . A 98 GLN HA . 25028 1 913 . 1 1 80 80 GLN HB2 H 1 2.084 0.006 . 2 . . . A 98 GLN HB2 . 25028 1 914 . 1 1 80 80 GLN HB3 H 1 1.968 0.006 . 2 . . . A 98 GLN HB3 . 25028 1 915 . 1 1 80 80 GLN HG2 H 1 2.429 0.006 . 1 . . . A 98 GLN QG . 25028 1 916 . 1 1 80 80 GLN HG3 H 1 2.429 0.006 . 1 . . . A 98 GLN QG . 25028 1 917 . 1 1 80 80 GLN HE21 H 1 6.758 0.006 . 2 . . . A 98 GLN HE21 . 25028 1 918 . 1 1 80 80 GLN HE22 H 1 7.403 0.006 . 2 . . . A 98 GLN HE22 . 25028 1 919 . 1 1 80 80 GLN CA C 13 55.306 0.125 . 1 . . . A 98 GLN CA . 25028 1 920 . 1 1 80 80 GLN CB C 13 31.329 0.125 . 1 . . . A 98 GLN CB . 25028 1 921 . 1 1 80 80 GLN CG C 13 33.850 0.125 . 1 . . . A 98 GLN CG . 25028 1 922 . 1 1 80 80 GLN N N 15 120.513 0.160 . 1 . . . A 98 GLN N . 25028 1 923 . 1 1 80 80 GLN NE2 N 15 110.750 0.160 . 1 . . . A 98 GLN NE2 . 25028 1 924 . 1 1 81 81 ARG H H 1 8.291 0.006 . 1 . . . A 99 ARG H . 25028 1 925 . 1 1 81 81 ARG HA H 1 3.916 0.006 . 1 . . . A 99 ARG HA . 25028 1 926 . 1 1 81 81 ARG HB2 H 1 1.931 0.006 . 2 . . . A 99 ARG HB2 . 25028 1 927 . 1 1 81 81 ARG HB3 H 1 1.866 0.006 . 2 . . . A 99 ARG HB3 . 25028 1 928 . 1 1 81 81 ARG HG2 H 1 1.674 0.006 . 1 . . . A 99 ARG QG . 25028 1 929 . 1 1 81 81 ARG HG3 H 1 1.674 0.006 . 1 . . . A 99 ARG QG . 25028 1 930 . 1 1 81 81 ARG HD2 H 1 3.260 0.006 . 1 . . . A 99 ARG QD . 25028 1 931 . 1 1 81 81 ARG HD3 H 1 3.260 0.006 . 1 . . . A 99 ARG QD . 25028 1 932 . 1 1 81 81 ARG CA C 13 57.953 0.125 . 1 . . . A 99 ARG CA . 25028 1 933 . 1 1 81 81 ARG CB C 13 29.989 0.125 . 1 . . . A 99 ARG CB . 25028 1 934 . 1 1 81 81 ARG CG C 13 26.772 0.125 . 1 . . . A 99 ARG CG . 25028 1 935 . 1 1 81 81 ARG CD C 13 43.134 0.125 . 1 . . . A 99 ARG CD . 25028 1 936 . 1 1 81 81 ARG N N 15 124.965 0.160 . 1 . . . A 99 ARG N . 25028 1 937 . 1 1 82 82 ASN H H 1 8.510 0.006 . 1 . . . A 100 ASN H . 25028 1 938 . 1 1 82 82 ASN HA H 1 4.672 0.006 . 1 . . . A 100 ASN HA . 25028 1 939 . 1 1 82 82 ASN HB2 H 1 2.960 0.006 . 2 . . . A 100 ASN HB2 . 25028 1 940 . 1 1 82 82 ASN HB3 H 1 2.997 0.006 . 2 . . . A 100 ASN HB3 . 25028 1 941 . 1 1 82 82 ASN HD21 H 1 7.537 0.006 . 2 . . . A 100 ASN HD21 . 25028 1 942 . 1 1 82 82 ASN HD22 H 1 6.831 0.006 . 2 . . . A 100 ASN HD22 . 25028 1 943 . 1 1 82 82 ASN CA C 13 53.378 0.125 . 1 . . . A 100 ASN CA . 25028 1 944 . 1 1 82 82 ASN CB C 13 37.566 0.125 . 1 . . . A 100 ASN CB . 25028 1 945 . 1 1 82 82 ASN N N 15 114.836 0.160 . 1 . . . A 100 ASN N . 25028 1 946 . 1 1 82 82 ASN ND2 N 15 112.138 0.160 . 1 . . . A 100 ASN ND2 . 25028 1 947 . 1 1 83 83 THR H H 1 7.933 0.006 . 1 . . . A 101 THR H . 25028 1 948 . 1 1 83 83 THR HA H 1 4.588 0.006 . 1 . . . A 101 THR HA . 25028 1 949 . 1 1 83 83 THR HB H 1 4.316 0.006 . 1 . . . A 101 THR HB . 25028 1 950 . 1 1 83 83 THR HG21 H 1 1.239 0.006 . 1 . . . A 101 THR QG2 . 25028 1 951 . 1 1 83 83 THR HG22 H 1 1.239 0.006 . 1 . . . A 101 THR QG2 . 25028 1 952 . 1 1 83 83 THR HG23 H 1 1.239 0.006 . 1 . . . A 101 THR QG2 . 25028 1 953 . 1 1 83 83 THR CA C 13 60.863 0.125 . 1 . . . A 101 THR CA . 25028 1 954 . 1 1 83 83 THR CB C 13 70.561 0.125 . 1 . . . A 101 THR CB . 25028 1 955 . 1 1 83 83 THR CG2 C 13 21.566 0.125 . 1 . . . A 101 THR CG2 . 25028 1 956 . 1 1 83 83 THR N N 15 112.759 0.160 . 1 . . . A 101 THR N . 25028 1 957 . 1 1 84 84 LYS H H 1 8.105 0.006 . 1 . . . A 102 LYS H . 25028 1 958 . 1 1 84 84 LYS HA H 1 4.137 0.006 . 1 . . . A 102 LYS HA . 25028 1 959 . 1 1 84 84 LYS HB2 H 1 1.808 0.006 . 1 . . . A 102 LYS QB . 25028 1 960 . 1 1 84 84 LYS HB3 H 1 1.808 0.006 . 1 . . . A 102 LYS QB . 25028 1 961 . 1 1 84 84 LYS HG2 H 1 1.515 0.006 . 1 . . . A 102 LYS QG . 25028 1 962 . 1 1 84 84 LYS HG3 H 1 1.515 0.006 . 1 . . . A 102 LYS QG . 25028 1 963 . 1 1 84 84 LYS HD2 H 1 1.738 0.006 . 1 . . . A 102 LYS QD . 25028 1 964 . 1 1 84 84 LYS HD3 H 1 1.738 0.006 . 1 . . . A 102 LYS QD . 25028 1 965 . 1 1 84 84 LYS HE2 H 1 3.064 0.006 . 1 . . . A 102 LYS QE . 25028 1 966 . 1 1 84 84 LYS HE3 H 1 3.064 0.006 . 1 . . . A 102 LYS QE . 25028 1 967 . 1 1 84 84 LYS CA C 13 56.457 0.125 . 1 . . . A 102 LYS CA . 25028 1 968 . 1 1 84 84 LYS CB C 13 33.030 0.125 . 1 . . . A 102 LYS CB . 25028 1 969 . 1 1 84 84 LYS CG C 13 24.431 0.125 . 1 . . . A 102 LYS CG . 25028 1 970 . 1 1 84 84 LYS CD C 13 29.095 0.125 . 1 . . . A 102 LYS CD . 25028 1 971 . 1 1 84 84 LYS CE C 13 41.980 0.125 . 1 . . . A 102 LYS CE . 25028 1 972 . 1 1 84 84 LYS N N 15 121.960 0.160 . 1 . . . A 102 LYS N . 25028 1 973 . 1 1 85 85 LEU H H 1 8.127 0.006 . 1 . . . A 103 LEU H . 25028 1 974 . 1 1 85 85 LEU HA H 1 4.111 0.006 . 1 . . . A 103 LEU HA . 25028 1 975 . 1 1 85 85 LEU HB2 H 1 1.640 0.006 . 2 . . . A 103 LEU HB2 . 25028 1 976 . 1 1 85 85 LEU HB3 H 1 1.292 0.006 . 2 . . . A 103 LEU HB3 . 25028 1 977 . 1 1 85 85 LEU HG H 1 1.778 0.006 . 1 . . . A 103 LEU HG . 25028 1 978 . 1 1 85 85 LEU HD11 H 1 0.798 0.006 . 1 . . . A 103 LEU QD1 . 25028 1 979 . 1 1 85 85 LEU HD12 H 1 0.798 0.006 . 1 . . . A 103 LEU QD1 . 25028 1 980 . 1 1 85 85 LEU HD13 H 1 0.798 0.006 . 1 . . . A 103 LEU QD1 . 25028 1 981 . 1 1 85 85 LEU HD21 H 1 0.685 0.006 . 2 . . . A 103 LEU QD2 . 25028 1 982 . 1 1 85 85 LEU HD22 H 1 0.685 0.006 . 2 . . . A 103 LEU QD2 . 25028 1 983 . 1 1 85 85 LEU HD23 H 1 0.685 0.006 . 2 . . . A 103 LEU QD2 . 25028 1 984 . 1 1 85 85 LEU CA C 13 54.799 0.125 . 1 . . . A 103 LEU CA . 25028 1 985 . 1 1 85 85 LEU CB C 13 42.342 0.125 . 1 . . . A 103 LEU CB . 25028 1 986 . 1 1 85 85 LEU CG C 13 26.288 0.125 . 1 . . . A 103 LEU CG . 25028 1 987 . 1 1 85 85 LEU CD1 C 13 23.105 0.125 . 1 . . . A 103 LEU CD1 . 25028 1 988 . 1 1 85 85 LEU CD2 C 13 26.057 0.125 . 2 . . . A 103 LEU CD2 . 25028 1 989 . 1 1 85 85 LEU N N 15 121.890 0.160 . 1 . . . A 103 LEU N . 25028 1 990 . 1 1 86 86 LYS H H 1 8.613 0.006 . 1 . . . A 104 LYS H . 25028 1 991 . 1 1 86 86 LYS HA H 1 4.370 0.006 . 1 . . . A 104 LYS HA . 25028 1 992 . 1 1 86 86 LYS HB2 H 1 0.824 0.006 . 2 . . . A 104 LYS HB2 . 25028 1 993 . 1 1 86 86 LYS HB3 H 1 1.513 0.006 . 2 . . . A 104 LYS HB3 . 25028 1 994 . 1 1 86 86 LYS HG2 H 1 1.440 0.006 . 2 . . . A 104 LYS HG2 . 25028 1 995 . 1 1 86 86 LYS HG3 H 1 1.384 0.006 . 2 . . . A 104 LYS HG3 . 25028 1 996 . 1 1 86 86 LYS HD2 H 1 1.653 0.006 . 2 . . . A 104 LYS HD2 . 25028 1 997 . 1 1 86 86 LYS HD3 H 1 1.693 0.006 . 2 . . . A 104 LYS HD3 . 25028 1 998 . 1 1 86 86 LYS HE2 H 1 3.058 0.006 . 1 . . . A 104 LYS QE . 25028 1 999 . 1 1 86 86 LYS HE3 H 1 3.058 0.006 . 1 . . . A 104 LYS QE . 25028 1 1000 . 1 1 86 86 LYS CA C 13 55.074 0.125 . 1 . . . A 104 LYS CA . 25028 1 1001 . 1 1 86 86 LYS CB C 13 33.487 0.125 . 1 . . . A 104 LYS CB . 25028 1 1002 . 1 1 86 86 LYS CG C 13 25.278 0.125 . 1 . . . A 104 LYS CG . 25028 1 1003 . 1 1 86 86 LYS CD C 13 28.879 0.125 . 1 . . . A 104 LYS CD . 25028 1 1004 . 1 1 86 86 LYS CE C 13 42.058 0.125 . 1 . . . A 104 LYS CE . 25028 1 1005 . 1 1 86 86 LYS N N 15 124.375 0.160 . 1 . . . A 104 LYS N . 25028 1 1006 . 1 1 87 87 ALA H H 1 8.216 0.006 . 1 . . . A 105 ALA H . 25028 1 1007 . 1 1 87 87 ALA HA H 1 5.964 0.006 . 1 . . . A 105 ALA HA . 25028 1 1008 . 1 1 87 87 ALA HB1 H 1 1.403 0.006 . 1 . . . A 105 ALA QB . 25028 1 1009 . 1 1 87 87 ALA HB2 H 1 1.403 0.006 . 1 . . . A 105 ALA QB . 25028 1 1010 . 1 1 87 87 ALA HB3 H 1 1.403 0.006 . 1 . . . A 105 ALA QB . 25028 1 1011 . 1 1 87 87 ALA CA C 13 50.311 0.125 . 1 . . . A 105 ALA CA . 25028 1 1012 . 1 1 87 87 ALA CB C 13 22.376 0.125 . 1 . . . A 105 ALA CB . 25028 1 1013 . 1 1 87 87 ALA N N 15 121.550 0.160 . 1 . . . A 105 ALA N . 25028 1 1014 . 1 1 88 88 LYS H H 1 9.635 0.006 . 1 . . . A 106 LYS H . 25028 1 1015 . 1 1 88 88 LYS HA H 1 4.667 0.006 . 1 . . . A 106 LYS HA . 25028 1 1016 . 1 1 88 88 LYS HB2 H 1 1.883 0.006 . 1 . . . A 106 LYS QB . 25028 1 1017 . 1 1 88 88 LYS HB3 H 1 1.883 0.006 . 1 . . . A 106 LYS QB . 25028 1 1018 . 1 1 88 88 LYS HG2 H 1 1.553 0.006 . 1 . . . A 106 LYS QG . 25028 1 1019 . 1 1 88 88 LYS HG3 H 1 1.553 0.006 . 1 . . . A 106 LYS QG . 25028 1 1020 . 1 1 88 88 LYS HD2 H 1 1.762 0.006 . 1 . . . A 106 LYS QD . 25028 1 1021 . 1 1 88 88 LYS HD3 H 1 1.762 0.006 . 1 . . . A 106 LYS QD . 25028 1 1022 . 1 1 88 88 LYS HE2 H 1 3.051 0.006 . 1 . . . A 106 LYS QE . 25028 1 1023 . 1 1 88 88 LYS HE3 H 1 3.051 0.006 . 1 . . . A 106 LYS QE . 25028 1 1024 . 1 1 88 88 LYS CA C 13 55.618 0.125 . 1 . . . A 106 LYS CA . 25028 1 1025 . 1 1 88 88 LYS CB C 13 37.209 0.125 . 1 . . . A 106 LYS CB . 25028 1 1026 . 1 1 88 88 LYS CG C 13 24.894 0.125 . 1 . . . A 106 LYS CG . 25028 1 1027 . 1 1 88 88 LYS CD C 13 29.294 0.125 . 1 . . . A 106 LYS CD . 25028 1 1028 . 1 1 88 88 LYS CE C 13 42.008 0.125 . 1 . . . A 106 LYS CE . 25028 1 1029 . 1 1 88 88 LYS N N 15 122.765 0.160 . 1 . . . A 106 LYS N . 25028 1 1030 . 1 1 89 89 ALA H H 1 8.450 0.006 . 1 . . . A 107 ALA H . 25028 1 1031 . 1 1 89 89 ALA HA H 1 5.560 0.006 . 1 . . . A 107 ALA HA . 25028 1 1032 . 1 1 89 89 ALA HB1 H 1 1.371 0.006 . 1 . . . A 107 ALA QB . 25028 1 1033 . 1 1 89 89 ALA HB2 H 1 1.371 0.006 . 1 . . . A 107 ALA QB . 25028 1 1034 . 1 1 89 89 ALA HB3 H 1 1.371 0.006 . 1 . . . A 107 ALA QB . 25028 1 1035 . 1 1 89 89 ALA CA C 13 50.542 0.125 . 1 . . . A 107 ALA CA . 25028 1 1036 . 1 1 89 89 ALA CB C 13 20.284 0.125 . 1 . . . A 107 ALA CB . 25028 1 1037 . 1 1 89 89 ALA N N 15 125.792 0.160 . 1 . . . A 107 ALA N . 25028 1 1038 . 1 1 90 90 LEU H H 1 8.921 0.006 . 1 . . . A 108 LEU H . 25028 1 1039 . 1 1 90 90 LEU HA H 1 5.016 0.006 . 1 . . . A 108 LEU HA . 25028 1 1040 . 1 1 90 90 LEU HB2 H 1 1.557 0.006 . 1 . . . A 108 LEU QB . 25028 1 1041 . 1 1 90 90 LEU HB3 H 1 1.557 0.006 . 1 . . . A 108 LEU QB . 25028 1 1042 . 1 1 90 90 LEU HG H 1 1.606 0.006 . 1 . . . A 108 LEU HG . 25028 1 1043 . 1 1 90 90 LEU HD11 H 1 0.868 0.006 . 2 . . . A 108 LEU QD1 . 25028 1 1044 . 1 1 90 90 LEU HD12 H 1 0.868 0.006 . 2 . . . A 108 LEU QD1 . 25028 1 1045 . 1 1 90 90 LEU HD13 H 1 0.868 0.006 . 2 . . . A 108 LEU QD1 . 25028 1 1046 . 1 1 90 90 LEU HD21 H 1 1.020 0.006 . 2 . . . A 108 LEU QD2 . 25028 1 1047 . 1 1 90 90 LEU HD22 H 1 1.020 0.006 . 2 . . . A 108 LEU QD2 . 25028 1 1048 . 1 1 90 90 LEU HD23 H 1 1.020 0.006 . 2 . . . A 108 LEU QD2 . 25028 1 1049 . 1 1 90 90 LEU CA C 13 52.744 0.125 . 1 . . . A 108 LEU CA . 25028 1 1050 . 1 1 90 90 LEU CB C 13 45.958 0.125 . 1 . . . A 108 LEU CB . 25028 1 1051 . 1 1 90 90 LEU CG C 13 27.336 0.125 . 1 . . . A 108 LEU CG . 25028 1 1052 . 1 1 90 90 LEU CD1 C 13 26.355 0.125 . 2 . . . A 108 LEU CD1 . 25028 1 1053 . 1 1 90 90 LEU CD2 C 13 23.598 0.125 . 2 . . . A 108 LEU CD2 . 25028 1 1054 . 1 1 90 90 LEU N N 15 123.463 0.160 . 1 . . . A 108 LEU N . 25028 1 1055 . 1 1 91 91 THR H H 1 8.794 0.006 . 1 . . . A 109 THR H . 25028 1 1056 . 1 1 91 91 THR HA H 1 5.102 0.006 . 1 . . . A 109 THR HA . 25028 1 1057 . 1 1 91 91 THR HB H 1 4.751 0.006 . 1 . . . A 109 THR HB . 25028 1 1058 . 1 1 91 91 THR HG21 H 1 1.416 0.006 . 1 . . . A 109 THR QG2 . 25028 1 1059 . 1 1 91 91 THR HG22 H 1 1.416 0.006 . 1 . . . A 109 THR QG2 . 25028 1 1060 . 1 1 91 91 THR HG23 H 1 1.416 0.006 . 1 . . . A 109 THR QG2 . 25028 1 1061 . 1 1 91 91 THR CA C 13 60.261 0.125 . 1 . . . A 109 THR CA . 25028 1 1062 . 1 1 91 91 THR CB C 13 70.374 0.125 . 1 . . . A 109 THR CB . 25028 1 1063 . 1 1 91 91 THR CG2 C 13 21.977 0.125 . 1 . . . A 109 THR CG2 . 25028 1 1064 . 1 1 91 91 THR N N 15 112.084 0.160 . 1 . . . A 109 THR N . 25028 1 1065 . 1 1 92 92 LEU H H 1 8.875 0.006 . 1 . . . A 110 LEU H . 25028 1 1066 . 1 1 92 92 LEU HA H 1 4.046 0.006 . 1 . . . A 110 LEU HA . 25028 1 1067 . 1 1 92 92 LEU HB2 H 1 1.761 0.006 . 2 . . . A 110 LEU HB2 . 25028 1 1068 . 1 1 92 92 LEU HB3 H 1 1.644 0.006 . 2 . . . A 110 LEU HB3 . 25028 1 1069 . 1 1 92 92 LEU HG H 1 1.590 0.006 . 1 . . . A 110 LEU HG . 25028 1 1070 . 1 1 92 92 LEU HD11 H 1 0.930 0.006 . 2 . . . A 110 LEU QD1 . 25028 1 1071 . 1 1 92 92 LEU HD12 H 1 0.930 0.006 . 2 . . . A 110 LEU QD1 . 25028 1 1072 . 1 1 92 92 LEU HD13 H 1 0.930 0.006 . 2 . . . A 110 LEU QD1 . 25028 1 1073 . 1 1 92 92 LEU HD21 H 1 0.800 0.006 . 2 . . . A 110 LEU QD2 . 25028 1 1074 . 1 1 92 92 LEU HD22 H 1 0.800 0.006 . 2 . . . A 110 LEU QD2 . 25028 1 1075 . 1 1 92 92 LEU HD23 H 1 0.800 0.006 . 2 . . . A 110 LEU QD2 . 25028 1 1076 . 1 1 92 92 LEU CA C 13 57.713 0.125 . 1 . . . A 110 LEU CA . 25028 1 1077 . 1 1 92 92 LEU CB C 13 41.398 0.125 . 1 . . . A 110 LEU CB . 25028 1 1078 . 1 1 92 92 LEU CG C 13 27.215 0.125 . 1 . . . A 110 LEU CG . 25028 1 1079 . 1 1 92 92 LEU CD1 C 13 24.660 0.125 . 2 . . . A 110 LEU CD1 . 25028 1 1080 . 1 1 92 92 LEU CD2 C 13 23.793 0.125 . 2 . . . A 110 LEU CD2 . 25028 1 1081 . 1 1 92 92 LEU N N 15 123.302 0.160 . 1 . . . A 110 LEU N . 25028 1 1082 . 1 1 93 93 SER H H 1 8.678 0.006 . 1 . . . A 111 SER H . 25028 1 1083 . 1 1 93 93 SER HA H 1 4.205 0.006 . 1 . . . A 111 SER HA . 25028 1 1084 . 1 1 93 93 SER HB2 H 1 3.985 0.006 . 2 . . . A 111 SER HB2 . 25028 1 1085 . 1 1 93 93 SER HB3 H 1 4.013 0.006 . 2 . . . A 111 SER HB3 . 25028 1 1086 . 1 1 93 93 SER CA C 13 61.484 0.125 . 1 . . . A 111 SER CA . 25028 1 1087 . 1 1 93 93 SER CB C 13 62.091 0.125 . 1 . . . A 111 SER CB . 25028 1 1088 . 1 1 93 93 SER N N 15 112.615 0.160 . 1 . . . A 111 SER N . 25028 1 1089 . 1 1 94 94 GLN H H 1 7.814 0.006 . 1 . . . A 112 GLN H . 25028 1 1090 . 1 1 94 94 GLN HA H 1 4.141 0.006 . 1 . . . A 112 GLN HA . 25028 1 1091 . 1 1 94 94 GLN HB2 H 1 2.332 0.006 . 2 . . . A 112 GLN HB2 . 25028 1 1092 . 1 1 94 94 GLN HB3 H 1 2.183 0.006 . 2 . . . A 112 GLN HB3 . 25028 1 1093 . 1 1 94 94 GLN HG2 H 1 2.524 0.006 . 2 . . . A 112 GLN HG2 . 25028 1 1094 . 1 1 94 94 GLN HG3 H 1 2.482 0.006 . 2 . . . A 112 GLN HG3 . 25028 1 1095 . 1 1 94 94 GLN HE21 H 1 6.841 0.006 . 2 . . . A 112 GLN HE21 . 25028 1 1096 . 1 1 94 94 GLN HE22 H 1 7.576 0.006 . 2 . . . A 112 GLN HE22 . 25028 1 1097 . 1 1 94 94 GLN CA C 13 58.638 0.125 . 1 . . . A 112 GLN CA . 25028 1 1098 . 1 1 94 94 GLN CB C 13 28.123 0.125 . 1 . . . A 112 GLN CB . 25028 1 1099 . 1 1 94 94 GLN CG C 13 33.723 0.125 . 1 . . . A 112 GLN CG . 25028 1 1100 . 1 1 94 94 GLN N N 15 122.597 0.160 . 1 . . . A 112 GLN N . 25028 1 1101 . 1 1 94 94 GLN NE2 N 15 112.092 0.160 . 1 . . . A 112 GLN NE2 . 25028 1 1102 . 1 1 95 95 LEU H H 1 7.875 0.006 . 1 . . . A 113 LEU H . 25028 1 1103 . 1 1 95 95 LEU HA H 1 4.222 0.006 . 1 . . . A 113 LEU HA . 25028 1 1104 . 1 1 95 95 LEU HB2 H 1 1.468 0.006 . 2 . . . A 113 LEU HB2 . 25028 1 1105 . 1 1 95 95 LEU HB3 H 1 1.997 0.006 . 2 . . . A 113 LEU HB3 . 25028 1 1106 . 1 1 95 95 LEU HG H 1 1.858 0.006 . 1 . . . A 113 LEU HG . 25028 1 1107 . 1 1 95 95 LEU HD11 H 1 0.704 0.006 . 2 . . . A 113 LEU QD1 . 25028 1 1108 . 1 1 95 95 LEU HD12 H 1 0.704 0.006 . 2 . . . A 113 LEU QD1 . 25028 1 1109 . 1 1 95 95 LEU HD13 H 1 0.704 0.006 . 2 . . . A 113 LEU QD1 . 25028 1 1110 . 1 1 95 95 LEU HD21 H 1 0.919 0.006 . 2 . . . A 113 LEU QD2 . 25028 1 1111 . 1 1 95 95 LEU HD22 H 1 0.919 0.006 . 2 . . . A 113 LEU QD2 . 25028 1 1112 . 1 1 95 95 LEU HD23 H 1 0.919 0.006 . 2 . . . A 113 LEU QD2 . 25028 1 1113 . 1 1 95 95 LEU CA C 13 57.459 0.125 . 1 . . . A 113 LEU CA . 25028 1 1114 . 1 1 95 95 LEU CB C 13 42.280 0.125 . 1 . . . A 113 LEU CB . 25028 1 1115 . 1 1 95 95 LEU CG C 13 26.215 0.125 . 1 . . . A 113 LEU CG . 25028 1 1116 . 1 1 95 95 LEU CD1 C 13 24.891 0.125 . 2 . . . A 113 LEU CD1 . 25028 1 1117 . 1 1 95 95 LEU CD2 C 13 23.215 0.125 . 2 . . . A 113 LEU CD2 . 25028 1 1118 . 1 1 95 95 LEU N N 15 119.232 0.160 . 1 . . . A 113 LEU N . 25028 1 1119 . 1 1 96 96 LYS H H 1 8.668 0.006 . 1 . . . A 114 LYS H . 25028 1 1120 . 1 1 96 96 LYS HA H 1 4.083 0.006 . 1 . . . A 114 LYS HA . 25028 1 1121 . 1 1 96 96 LYS HB2 H 1 2.100 0.006 . 1 . . . A 114 LYS QB . 25028 1 1122 . 1 1 96 96 LYS HB3 H 1 2.100 0.006 . 1 . . . A 114 LYS QB . 25028 1 1123 . 1 1 96 96 LYS HG2 H 1 1.599 0.006 . 2 . . . A 114 LYS HG2 . 25028 1 1124 . 1 1 96 96 LYS HG3 H 1 1.797 0.006 . 2 . . . A 114 LYS HG3 . 25028 1 1125 . 1 1 96 96 LYS HD2 H 1 1.774 0.006 . 2 . . . A 114 LYS HD2 . 25028 1 1126 . 1 1 96 96 LYS HD3 H 1 1.621 0.006 . 2 . . . A 114 LYS HD3 . 25028 1 1127 . 1 1 96 96 LYS HE2 H 1 2.808 0.006 . 2 . . . A 114 LYS HE2 . 25028 1 1128 . 1 1 96 96 LYS HE3 H 1 2.966 0.006 . 2 . . . A 114 LYS HE3 . 25028 1 1129 . 1 1 96 96 LYS CA C 13 59.495 0.125 . 1 . . . A 114 LYS CA . 25028 1 1130 . 1 1 96 96 LYS CB C 13 32.396 0.125 . 1 . . . A 114 LYS CB . 25028 1 1131 . 1 1 96 96 LYS CG C 13 25.606 0.125 . 1 . . . A 114 LYS CG . 25028 1 1132 . 1 1 96 96 LYS CD C 13 29.826 0.125 . 1 . . . A 114 LYS CD . 25028 1 1133 . 1 1 96 96 LYS CE C 13 42.042 0.125 . 1 . . . A 114 LYS CE . 25028 1 1134 . 1 1 96 96 LYS N N 15 118.429 0.160 . 1 . . . A 114 LYS N . 25028 1 1135 . 1 1 97 97 LYS H H 1 7.732 0.006 . 1 . . . A 115 LYS H . 25028 1 1136 . 1 1 97 97 LYS HA H 1 4.075 0.006 . 1 . . . A 115 LYS HA . 25028 1 1137 . 1 1 97 97 LYS HB2 H 1 1.973 0.006 . 2 . . . A 115 LYS HB2 . 25028 1 1138 . 1 1 97 97 LYS HB3 H 1 1.908 0.006 . 2 . . . A 115 LYS HB3 . 25028 1 1139 . 1 1 97 97 LYS HG2 H 1 1.557 0.006 . 2 . . . A 115 LYS HG2 . 25028 1 1140 . 1 1 97 97 LYS HG3 H 1 1.473 0.006 . 2 . . . A 115 LYS HG3 . 25028 1 1141 . 1 1 97 97 LYS HD2 H 1 1.702 0.006 . 1 . . . A 115 LYS QD . 25028 1 1142 . 1 1 97 97 LYS HD3 H 1 1.702 0.006 . 1 . . . A 115 LYS QD . 25028 1 1143 . 1 1 97 97 LYS HE2 H 1 3.029 0.006 . 1 . . . A 115 LYS QE . 25028 1 1144 . 1 1 97 97 LYS HE3 H 1 3.029 0.006 . 1 . . . A 115 LYS QE . 25028 1 1145 . 1 1 97 97 LYS CA C 13 58.606 0.125 . 1 . . . A 115 LYS CA . 25028 1 1146 . 1 1 97 97 LYS CB C 13 32.391 0.125 . 1 . . . A 115 LYS CB . 25028 1 1147 . 1 1 97 97 LYS CG C 13 24.884 0.125 . 1 . . . A 115 LYS CG . 25028 1 1148 . 1 1 97 97 LYS CD C 13 29.153 0.125 . 1 . . . A 115 LYS CD . 25028 1 1149 . 1 1 97 97 LYS CE C 13 41.982 0.125 . 1 . . . A 115 LYS CE . 25028 1 1150 . 1 1 97 97 LYS N N 15 117.609 0.160 . 1 . . . A 115 LYS N . 25028 1 1151 . 1 1 98 98 GLU H H 1 7.616 0.006 . 1 . . . A 116 GLU H . 25028 1 1152 . 1 1 98 98 GLU HA H 1 3.951 0.006 . 1 . . . A 116 GLU HA . 25028 1 1153 . 1 1 98 98 GLU HB2 H 1 1.517 0.006 . 2 . . . A 116 GLU HB2 . 25028 1 1154 . 1 1 98 98 GLU HB3 H 1 1.103 0.006 . 2 . . . A 116 GLU HB3 . 25028 1 1155 . 1 1 98 98 GLU HG2 H 1 1.950 0.006 . 2 . . . A 116 GLU HG2 . 25028 1 1156 . 1 1 98 98 GLU HG3 H 1 1.570 0.006 . 2 . . . A 116 GLU HG3 . 25028 1 1157 . 1 1 98 98 GLU CA C 13 57.993 0.125 . 1 . . . A 116 GLU CA . 25028 1 1158 . 1 1 98 98 GLU CB C 13 30.176 0.125 . 1 . . . A 116 GLU CB . 25028 1 1159 . 1 1 98 98 GLU CG C 13 35.806 0.125 . 1 . . . A 116 GLU CG . 25028 1 1160 . 1 1 98 98 GLU N N 15 115.048 0.160 . 1 . . . A 116 GLU N . 25028 1 1161 . 1 1 99 99 PHE H H 1 7.746 0.006 . 1 . . . A 117 PHE H . 25028 1 1162 . 1 1 99 99 PHE HA H 1 5.049 0.006 . 1 . . . A 117 PHE HA . 25028 1 1163 . 1 1 99 99 PHE HB2 H 1 2.785 0.006 . 2 . . . A 117 PHE HB2 . 25028 1 1164 . 1 1 99 99 PHE HB3 H 1 3.396 0.006 . 2 . . . A 117 PHE HB3 . 25028 1 1165 . 1 1 99 99 PHE HD1 H 1 7.365 0.006 . 1 . . . A 117 PHE QD . 25028 1 1166 . 1 1 99 99 PHE HD2 H 1 7.365 0.006 . 1 . . . A 117 PHE QD . 25028 1 1167 . 1 1 99 99 PHE HE1 H 1 7.225 0.006 . 1 . . . A 117 PHE QE . 25028 1 1168 . 1 1 99 99 PHE HE2 H 1 7.225 0.006 . 1 . . . A 117 PHE QE . 25028 1 1169 . 1 1 99 99 PHE CA C 13 57.163 0.125 . 1 . . . A 117 PHE CA . 25028 1 1170 . 1 1 99 99 PHE CB C 13 42.278 0.125 . 1 . . . A 117 PHE CB . 25028 1 1171 . 1 1 99 99 PHE CD1 C 13 131.569 0.125 . 1 . . . A 117 PHE CD1 . 25028 1 1172 . 1 1 99 99 PHE CD2 C 13 131.570 0.125 . 3 . . . A 117 PHE CD2 . 25028 1 1173 . 1 1 99 99 PHE CE1 C 13 130.543 0.125 . 3 . . . A 117 PHE CE1 . 25028 1 1174 . 1 1 99 99 PHE CE2 C 13 130.540 0.125 . 3 . . . A 117 PHE CE2 . 25028 1 1175 . 1 1 99 99 PHE N N 15 111.237 0.160 . 1 . . . A 117 PHE N . 25028 1 1176 . 1 1 100 100 TYR H H 1 8.445 0.006 . 1 . . . A 118 TYR H . 25028 1 1177 . 1 1 100 100 TYR HA H 1 4.703 0.006 . 1 . . . A 118 TYR HA . 25028 1 1178 . 1 1 100 100 TYR HB2 H 1 2.532 0.006 . 2 . . . A 118 TYR HB2 . 25028 1 1179 . 1 1 100 100 TYR HB3 H 1 3.541 0.006 . 2 . . . A 118 TYR HB3 . 25028 1 1180 . 1 1 100 100 TYR HD1 H 1 7.287 0.006 . 1 . . . A 118 TYR QD . 25028 1 1181 . 1 1 100 100 TYR HD2 H 1 7.287 0.006 . 1 . . . A 118 TYR QD . 25028 1 1182 . 1 1 100 100 TYR HE1 H 1 7.001 0.006 . 1 . . . A 118 TYR QE . 25028 1 1183 . 1 1 100 100 TYR HE2 H 1 7.001 0.006 . 1 . . . A 118 TYR QE . 25028 1 1184 . 1 1 100 100 TYR CA C 13 57.072 0.125 . 1 . . . A 118 TYR CA . 25028 1 1185 . 1 1 100 100 TYR CB C 13 43.203 0.125 . 1 . . . A 118 TYR CB . 25028 1 1186 . 1 1 100 100 TYR CD1 C 13 133.142 0.125 . 3 . . . A 118 TYR CD1 . 25028 1 1187 . 1 1 100 100 TYR CD2 C 13 133.135 0.125 . 3 . . . A 118 TYR CD2 . 25028 1 1188 . 1 1 100 100 TYR CE1 C 13 117.870 0.125 . 3 . . . A 118 TYR CE1 . 25028 1 1189 . 1 1 100 100 TYR CE2 C 13 117.870 0.125 . 3 . . . A 118 TYR CE2 . 25028 1 1190 . 1 1 100 100 TYR N N 15 123.719 0.160 . 1 . . . A 118 TYR N . 25028 1 1191 . 1 1 101 101 GLN H H 1 7.898 0.006 . 1 . . . A 119 GLN H . 25028 1 1192 . 1 1 101 101 GLN HA H 1 4.511 0.006 . 1 . . . A 119 GLN HA . 25028 1 1193 . 1 1 101 101 GLN HB2 H 1 2.514 0.006 . 2 . . . A 119 GLN HB2 . 25028 1 1194 . 1 1 101 101 GLN HB3 H 1 2.303 0.006 . 2 . . . A 119 GLN HB3 . 25028 1 1195 . 1 1 101 101 GLN HG2 H 1 2.529 0.006 . 2 . . . A 119 GLN HG2 . 25028 1 1196 . 1 1 101 101 GLN HG3 H 1 2.479 0.006 . 2 . . . A 119 GLN HG3 . 25028 1 1197 . 1 1 101 101 GLN HE21 H 1 6.762 0.006 . 2 . . . A 119 GLN HE21 . 25028 1 1198 . 1 1 101 101 GLN HE22 H 1 7.588 0.006 . 2 . . . A 119 GLN HE22 . 25028 1 1199 . 1 1 101 101 GLN CA C 13 57.220 0.125 . 1 . . . A 119 GLN CA . 25028 1 1200 . 1 1 101 101 GLN CB C 13 30.543 0.125 . 1 . . . A 119 GLN CB . 25028 1 1201 . 1 1 101 101 GLN CG C 13 33.770 0.125 . 1 . . . A 119 GLN CG . 25028 1 1202 . 1 1 101 101 GLN N N 15 119.317 0.160 . 1 . . . A 119 GLN N . 25028 1 1203 . 1 1 101 101 GLN NE2 N 15 112.394 0.160 . 1 . . . A 119 GLN NE2 . 25028 1 1204 . 1 1 102 102 THR H H 1 8.267 0.006 . 1 . . . A 120 THR H . 25028 1 1205 . 1 1 102 102 THR HA H 1 4.565 0.006 . 1 . . . A 120 THR HA . 25028 1 1206 . 1 1 102 102 THR HB H 1 4.750 0.006 . 1 . . . A 120 THR HB . 25028 1 1207 . 1 1 102 102 THR HG21 H 1 1.271 0.006 . 1 . . . A 120 THR QG2 . 25028 1 1208 . 1 1 102 102 THR HG22 H 1 1.271 0.006 . 1 . . . A 120 THR QG2 . 25028 1 1209 . 1 1 102 102 THR HG23 H 1 1.271 0.006 . 1 . . . A 120 THR QG2 . 25028 1 1210 . 1 1 102 102 THR CA C 13 59.622 0.125 . 1 . . . A 120 THR CA . 25028 1 1211 . 1 1 102 102 THR CB C 13 70.616 0.125 . 1 . . . A 120 THR CB . 25028 1 1212 . 1 1 102 102 THR CG2 C 13 21.444 0.125 . 1 . . . A 120 THR CG2 . 25028 1 1213 . 1 1 102 102 THR N N 15 110.352 0.160 . 1 . . . A 120 THR N . 25028 1 1214 . 1 1 103 103 ARG HA H 1 3.858 0.006 . 1 . . . A 121 ARG HA . 25028 1 1215 . 1 1 103 103 ARG HB2 H 1 1.966 0.006 . 2 . . . A 121 ARG HB2 . 25028 1 1216 . 1 1 103 103 ARG HB3 H 1 1.882 0.006 . 2 . . . A 121 ARG HB3 . 25028 1 1217 . 1 1 103 103 ARG HG2 H 1 1.674 0.006 . 2 . . . A 121 ARG HG2 . 25028 1 1218 . 1 1 103 103 ARG HG3 H 1 1.792 0.006 . 2 . . . A 121 ARG HG3 . 25028 1 1219 . 1 1 103 103 ARG HD2 H 1 3.261 0.006 . 1 . . . A 121 ARG QD . 25028 1 1220 . 1 1 103 103 ARG HD3 H 1 3.261 0.006 . 1 . . . A 121 ARG QD . 25028 1 1221 . 1 1 103 103 ARG CA C 13 59.656 0.125 . 1 . . . A 121 ARG CA . 25028 1 1222 . 1 1 103 103 ARG CB C 13 29.516 0.125 . 1 . . . A 121 ARG CB . 25028 1 1223 . 1 1 103 103 ARG CG C 13 27.066 0.125 . 1 . . . A 121 ARG CG . 25028 1 1224 . 1 1 103 103 ARG CD C 13 42.944 0.125 . 1 . . . A 121 ARG CD . 25028 1 1225 . 1 1 104 104 SER H H 1 8.370 0.006 . 1 . . . A 122 SER H . 25028 1 1226 . 1 1 104 104 SER HA H 1 4.171 0.006 . 1 . . . A 122 SER HA . 25028 1 1227 . 1 1 104 104 SER HB2 H 1 3.888 0.006 . 1 . . . A 122 SER QB . 25028 1 1228 . 1 1 104 104 SER HB3 H 1 3.888 0.006 . 1 . . . A 122 SER QB . 25028 1 1229 . 1 1 104 104 SER CA C 13 60.992 0.125 . 1 . . . A 122 SER CA . 25028 1 1230 . 1 1 104 104 SER CB C 13 61.967 0.125 . 1 . . . A 122 SER CB . 25028 1 1231 . 1 1 104 104 SER N N 15 113.480 0.160 . 1 . . . A 122 SER N . 25028 1 1232 . 1 1 105 105 GLN H H 1 7.560 0.006 . 1 . . . A 123 GLN H . 25028 1 1233 . 1 1 105 105 GLN HA H 1 4.710 0.006 . 1 . . . A 123 GLN HA . 25028 1 1234 . 1 1 105 105 GLN HB2 H 1 2.169 0.006 . 1 . . . A 123 GLN QB . 25028 1 1235 . 1 1 105 105 GLN HB3 H 1 2.169 0.006 . 1 . . . A 123 GLN QB . 25028 1 1236 . 1 1 105 105 GLN HG2 H 1 2.513 0.006 . 2 . . . A 123 GLN HG2 . 25028 1 1237 . 1 1 105 105 GLN HG3 H 1 2.562 0.006 . 2 . . . A 123 GLN HG3 . 25028 1 1238 . 1 1 105 105 GLN HE21 H 1 6.890 0.006 . 2 . . . A 123 GLN HE21 . 25028 1 1239 . 1 1 105 105 GLN HE22 H 1 7.626 0.006 . 2 . . . A 123 GLN HE22 . 25028 1 1240 . 1 1 105 105 GLN CA C 13 58.722 0.125 . 1 . . . A 123 GLN CA . 25028 1 1241 . 1 1 105 105 GLN CB C 13 28.123 0.125 . 1 . . . A 123 GLN CB . 25028 1 1242 . 1 1 105 105 GLN CG C 13 34.473 0.125 . 1 . . . A 123 GLN CG . 25028 1 1243 . 1 1 105 105 GLN N N 15 123.234 0.160 . 1 . . . A 123 GLN N . 25028 1 1244 . 1 1 105 105 GLN NE2 N 15 113.041 0.160 . 1 . . . A 123 GLN NE2 . 25028 1 1245 . 1 1 106 106 LYS H H 1 8.078 0.006 . 1 . . . A 124 LYS H . 25028 1 1246 . 1 1 106 106 LYS HA H 1 3.809 0.006 . 1 . . . A 124 LYS HA . 25028 1 1247 . 1 1 106 106 LYS HB2 H 1 1.399 0.006 . 2 . . . A 124 LYS HB2 . 25028 1 1248 . 1 1 106 106 LYS HB3 H 1 1.424 0.006 . 2 . . . A 124 LYS HB3 . 25028 1 1249 . 1 1 106 106 LYS HG2 H 1 -0.589 0.006 . 2 . . . A 124 LYS HG2 . 25028 1 1250 . 1 1 106 106 LYS HG3 H 1 0.905 0.006 . 2 . . . A 124 LYS HG3 . 25028 1 1251 . 1 1 106 106 LYS HD2 H 1 1.271 0.006 . 2 . . . A 124 LYS HD2 . 25028 1 1252 . 1 1 106 106 LYS HD3 H 1 1.192 0.006 . 2 . . . A 124 LYS HD3 . 25028 1 1253 . 1 1 106 106 LYS HE2 H 1 2.662 0.006 . 1 . . . A 124 LYS QE . 25028 1 1254 . 1 1 106 106 LYS HE3 H 1 2.662 0.006 . 1 . . . A 124 LYS QE . 25028 1 1255 . 1 1 106 106 LYS CA C 13 58.728 0.125 . 1 . . . A 124 LYS CA . 25028 1 1256 . 1 1 106 106 LYS CB C 13 32.316 0.125 . 1 . . . A 124 LYS CB . 25028 1 1257 . 1 1 106 106 LYS CG C 13 23.677 0.125 . 1 . . . A 124 LYS CG . 25028 1 1258 . 1 1 106 106 LYS CD C 13 29.758 0.125 . 1 . . . A 124 LYS CD . 25028 1 1259 . 1 1 106 106 LYS CE C 13 42.013 0.125 . 1 . . . A 124 LYS CE . 25028 1 1260 . 1 1 106 106 LYS N N 15 116.841 0.160 . 1 . . . A 124 LYS N . 25028 1 1261 . 1 1 107 107 ARG H H 1 7.543 0.006 . 1 . . . A 125 ARG H . 25028 1 1262 . 1 1 107 107 ARG HA H 1 4.006 0.006 . 1 . . . A 125 ARG HA . 25028 1 1263 . 1 1 107 107 ARG HB2 H 1 1.922 0.006 . 2 . . . A 125 ARG HB2 . 25028 1 1264 . 1 1 107 107 ARG HB3 H 1 1.881 0.006 . 2 . . . A 125 ARG HB3 . 25028 1 1265 . 1 1 107 107 ARG HG2 H 1 1.689 0.006 . 1 . . . A 125 ARG QG . 25028 1 1266 . 1 1 107 107 ARG HG3 H 1 1.689 0.006 . 1 . . . A 125 ARG QG . 25028 1 1267 . 1 1 107 107 ARG HD2 H 1 3.221 0.006 . 2 . . . A 125 ARG HD2 . 25028 1 1268 . 1 1 107 107 ARG HD3 H 1 3.260 0.006 . 2 . . . A 125 ARG HD3 . 25028 1 1269 . 1 1 107 107 ARG CA C 13 58.165 0.125 . 1 . . . A 125 ARG CA . 25028 1 1270 . 1 1 107 107 ARG CB C 13 29.831 0.125 . 1 . . . A 125 ARG CB . 25028 1 1271 . 1 1 107 107 ARG CG C 13 26.581 0.125 . 1 . . . A 125 ARG CG . 25028 1 1272 . 1 1 107 107 ARG CD C 13 43.153 0.125 . 1 . . . A 125 ARG CD . 25028 1 1273 . 1 1 107 107 ARG N N 15 116.927 0.160 . 1 . . . A 125 ARG N . 25028 1 1274 . 1 1 108 108 GLU H H 1 7.545 0.006 . 1 . . . A 126 GLU H . 25028 1 1275 . 1 1 108 108 GLU HA H 1 3.783 0.006 . 1 . . . A 126 GLU HA . 25028 1 1276 . 1 1 108 108 GLU HB2 H 1 2.126 0.006 . 2 . . . A 126 GLU HB2 . 25028 1 1277 . 1 1 108 108 GLU HB3 H 1 2.071 0.006 . 2 . . . A 126 GLU HB3 . 25028 1 1278 . 1 1 108 108 GLU HG2 H 1 2.216 0.006 . 2 . . . A 126 GLU HG2 . 25028 1 1279 . 1 1 108 108 GLU HG3 H 1 2.025 0.006 . 2 . . . A 126 GLU HG3 . 25028 1 1280 . 1 1 108 108 GLU CA C 13 58.745 0.125 . 1 . . . A 126 GLU CA . 25028 1 1281 . 1 1 108 108 GLU CB C 13 29.398 0.125 . 1 . . . A 126 GLU CB . 25028 1 1282 . 1 1 108 108 GLU CG C 13 35.841 0.125 . 1 . . . A 126 GLU CG . 25028 1 1283 . 1 1 108 108 GLU N N 15 118.524 0.160 . 1 . . . A 126 GLU N . 25028 1 1284 . 1 1 109 109 VAL H H 1 8.220 0.006 . 1 . . . A 127 VAL H . 25028 1 1285 . 1 1 109 109 VAL HA H 1 3.592 0.006 . 1 . . . A 127 VAL HA . 25028 1 1286 . 1 1 109 109 VAL HB H 1 2.425 0.006 . 1 . . . A 127 VAL HB . 25028 1 1287 . 1 1 109 109 VAL HG11 H 1 0.955 0.006 . 2 . . . A 127 VAL QG1 . 25028 1 1288 . 1 1 109 109 VAL HG12 H 1 0.955 0.006 . 2 . . . A 127 VAL QG1 . 25028 1 1289 . 1 1 109 109 VAL HG13 H 1 0.955 0.006 . 2 . . . A 127 VAL QG1 . 25028 1 1290 . 1 1 109 109 VAL HG21 H 1 1.351 0.006 . 2 . . . A 127 VAL QG2 . 25028 1 1291 . 1 1 109 109 VAL HG22 H 1 1.351 0.006 . 2 . . . A 127 VAL QG2 . 25028 1 1292 . 1 1 109 109 VAL HG23 H 1 1.351 0.006 . 2 . . . A 127 VAL QG2 . 25028 1 1293 . 1 1 109 109 VAL CA C 13 66.915 0.125 . 1 . . . A 127 VAL CA . 25028 1 1294 . 1 1 109 109 VAL CB C 13 31.637 0.125 . 1 . . . A 127 VAL CB . 25028 1 1295 . 1 1 109 109 VAL CG1 C 13 20.146 0.125 . 2 . . . A 127 VAL CG1 . 25028 1 1296 . 1 1 109 109 VAL CG2 C 13 24.345 0.125 . 2 . . . A 127 VAL CG2 . 25028 1 1297 . 1 1 109 109 VAL N N 15 118.045 0.160 . 1 . . . A 127 VAL N . 25028 1 1298 . 1 1 110 110 ASP H H 1 8.868 0.006 . 1 . . . A 128 ASP H . 25028 1 1299 . 1 1 110 110 ASP HA H 1 4.574 0.006 . 1 . . . A 128 ASP HA . 25028 1 1300 . 1 1 110 110 ASP HB2 H 1 2.671 0.006 . 2 . . . A 128 ASP HB2 . 25028 1 1301 . 1 1 110 110 ASP HB3 H 1 2.863 0.006 . 2 . . . A 128 ASP HB3 . 25028 1 1302 . 1 1 110 110 ASP CA C 13 57.379 0.125 . 1 . . . A 128 ASP CA . 25028 1 1303 . 1 1 110 110 ASP CB C 13 39.051 0.125 . 1 . . . A 128 ASP CB . 25028 1 1304 . 1 1 110 110 ASP N N 15 119.864 0.160 . 1 . . . A 128 ASP N . 25028 1 1305 . 1 1 111 111 ASP H H 1 8.276 0.006 . 1 . . . A 129 ASP H . 25028 1 1306 . 1 1 111 111 ASP HA H 1 4.581 0.006 . 1 . . . A 129 ASP HA . 25028 1 1307 . 1 1 111 111 ASP HB2 H 1 2.516 0.006 . 2 . . . A 129 ASP HB2 . 25028 1 1308 . 1 1 111 111 ASP HB3 H 1 2.867 0.006 . 2 . . . A 129 ASP HB3 . 25028 1 1309 . 1 1 111 111 ASP CA C 13 56.956 0.125 . 1 . . . A 129 ASP CA . 25028 1 1310 . 1 1 111 111 ASP CB C 13 39.399 0.125 . 1 . . . A 129 ASP CB . 25028 1 1311 . 1 1 111 111 ASP N N 15 123.358 0.160 . 1 . . . A 129 ASP N . 25028 1 1312 . 1 1 112 112 TYR H H 1 8.128 0.006 . 1 . . . A 130 TYR H . 25028 1 1313 . 1 1 112 112 TYR HA H 1 4.659 0.006 . 1 . . . A 130 TYR HA . 25028 1 1314 . 1 1 112 112 TYR HB2 H 1 2.960 0.006 . 2 . . . A 130 TYR HB2 . 25028 1 1315 . 1 1 112 112 TYR HB3 H 1 3.589 0.006 . 2 . . . A 130 TYR HB3 . 25028 1 1316 . 1 1 112 112 TYR HD1 H 1 6.950 0.006 . 1 . . . A 130 TYR QD . 25028 1 1317 . 1 1 112 112 TYR HD2 H 1 6.950 0.006 . 1 . . . A 130 TYR QD . 25028 1 1318 . 1 1 112 112 TYR HE1 H 1 6.842 0.006 . 1 . . . A 130 TYR QE . 25028 1 1319 . 1 1 112 112 TYR HE2 H 1 6.842 0.006 . 1 . . . A 130 TYR QE . 25028 1 1320 . 1 1 112 112 TYR CA C 13 58.282 0.125 . 1 . . . A 130 TYR CA . 25028 1 1321 . 1 1 112 112 TYR CB C 13 36.570 0.125 . 1 . . . A 130 TYR CB . 25028 1 1322 . 1 1 112 112 TYR CD1 C 13 130.769 0.125 . 3 . . . A 130 TYR CD1 . 25028 1 1323 . 1 1 112 112 TYR CD2 C 13 130.759 0.125 . 3 . . . A 130 TYR CD2 . 25028 1 1324 . 1 1 112 112 TYR CE1 C 13 118.423 0.125 . 3 . . . A 130 TYR CE1 . 25028 1 1325 . 1 1 112 112 TYR CE2 C 13 118.440 0.125 . 3 . . . A 130 TYR CE2 . 25028 1 1326 . 1 1 112 112 TYR N N 15 122.277 0.160 . 1 . . . A 130 TYR N . 25028 1 1327 . 1 1 113 113 VAL H H 1 8.581 0.006 . 1 . . . A 131 VAL H . 25028 1 1328 . 1 1 113 113 VAL HA H 1 3.379 0.006 . 1 . . . A 131 VAL HA . 25028 1 1329 . 1 1 113 113 VAL HB H 1 2.305 0.006 . 1 . . . A 131 VAL HB . 25028 1 1330 . 1 1 113 113 VAL HG11 H 1 0.845 0.006 . 2 . . . A 131 VAL QG1 . 25028 1 1331 . 1 1 113 113 VAL HG12 H 1 0.845 0.006 . 2 . . . A 131 VAL QG1 . 25028 1 1332 . 1 1 113 113 VAL HG13 H 1 0.845 0.006 . 2 . . . A 131 VAL QG1 . 25028 1 1333 . 1 1 113 113 VAL HG21 H 1 1.017 0.006 . 2 . . . A 131 VAL QG2 . 25028 1 1334 . 1 1 113 113 VAL HG22 H 1 1.017 0.006 . 2 . . . A 131 VAL QG2 . 25028 1 1335 . 1 1 113 113 VAL HG23 H 1 1.017 0.006 . 2 . . . A 131 VAL QG2 . 25028 1 1336 . 1 1 113 113 VAL CA C 13 65.919 0.125 . 1 . . . A 131 VAL CA . 25028 1 1337 . 1 1 113 113 VAL CB C 13 31.298 0.125 . 1 . . . A 131 VAL CB . 25028 1 1338 . 1 1 113 113 VAL CG1 C 13 21.556 0.125 . 2 . . . A 131 VAL CG1 . 25028 1 1339 . 1 1 113 113 VAL CG2 C 13 24.015 0.125 . 2 . . . A 131 VAL CG2 . 25028 1 1340 . 1 1 113 113 VAL N N 15 118.331 0.160 . 1 . . . A 131 VAL N . 25028 1 1341 . 1 1 114 114 ALA H H 1 7.751 0.006 . 1 . . . A 132 ALA H . 25028 1 1342 . 1 1 114 114 ALA HA H 1 4.224 0.006 . 1 . . . A 132 ALA HA . 25028 1 1343 . 1 1 114 114 ALA HB1 H 1 1.607 0.006 . 1 . . . A 132 ALA QB . 25028 1 1344 . 1 1 114 114 ALA HB2 H 1 1.607 0.006 . 1 . . . A 132 ALA QB . 25028 1 1345 . 1 1 114 114 ALA HB3 H 1 1.607 0.006 . 1 . . . A 132 ALA QB . 25028 1 1346 . 1 1 114 114 ALA CA C 13 53.630 0.125 . 1 . . . A 132 ALA CA . 25028 1 1347 . 1 1 114 114 ALA CB C 13 18.045 0.125 . 1 . . . A 132 ALA CB . 25028 1 1348 . 1 1 114 114 ALA N N 15 120.331 0.160 . 1 . . . A 132 ALA N . 25028 1 1349 . 1 1 115 115 GLY H H 1 7.776 0.006 . 1 . . . A 133 GLY H . 25028 1 1350 . 1 1 115 115 GLY HA2 H 1 3.676 0.006 . 2 . . . A 133 GLY HA2 . 25028 1 1351 . 1 1 115 115 GLY HA3 H 1 4.396 0.006 . 2 . . . A 133 GLY HA3 . 25028 1 1352 . 1 1 115 115 GLY CA C 13 44.683 0.125 . 1 . . . A 133 GLY CA . 25028 1 1353 . 1 1 115 115 GLY N N 15 104.553 0.160 . 1 . . . A 133 GLY N . 25028 1 1354 . 1 1 116 116 LEU H H 1 7.349 0.006 . 1 . . . A 134 LEU H . 25028 1 1355 . 1 1 116 116 LEU HA H 1 4.090 0.006 . 1 . . . A 134 LEU HA . 25028 1 1356 . 1 1 116 116 LEU HB2 H 1 1.887 0.006 . 2 . . . A 134 LEU HB2 . 25028 1 1357 . 1 1 116 116 LEU HB3 H 1 1.426 0.006 . 2 . . . A 134 LEU HB3 . 25028 1 1358 . 1 1 116 116 LEU HG H 1 2.125 0.006 . 1 . . . A 134 LEU HG . 25028 1 1359 . 1 1 116 116 LEU HD11 H 1 0.825 0.006 . 2 . . . A 134 LEU QD1 . 25028 1 1360 . 1 1 116 116 LEU HD12 H 1 0.825 0.006 . 2 . . . A 134 LEU QD1 . 25028 1 1361 . 1 1 116 116 LEU HD13 H 1 0.825 0.006 . 2 . . . A 134 LEU QD1 . 25028 1 1362 . 1 1 116 116 LEU HD21 H 1 0.750 0.006 . 2 . . . A 134 LEU QD2 . 25028 1 1363 . 1 1 116 116 LEU HD22 H 1 0.750 0.006 . 2 . . . A 134 LEU QD2 . 25028 1 1364 . 1 1 116 116 LEU HD23 H 1 0.750 0.006 . 2 . . . A 134 LEU QD2 . 25028 1 1365 . 1 1 116 116 LEU CA C 13 55.530 0.125 . 1 . . . A 134 LEU CA . 25028 1 1366 . 1 1 116 116 LEU CB C 13 42.766 0.125 . 1 . . . A 134 LEU CB . 25028 1 1367 . 1 1 116 116 LEU CG C 13 25.579 0.125 . 1 . . . A 134 LEU CG . 25028 1 1368 . 1 1 116 116 LEU CD1 C 13 25.297 0.125 . 2 . . . A 134 LEU CD1 . 25028 1 1369 . 1 1 116 116 LEU CD2 C 13 23.588 0.125 . 2 . . . A 134 LEU CD2 . 25028 1 1370 . 1 1 116 116 LEU N N 15 121.302 0.160 . 1 . . . A 134 LEU N . 25028 1 1371 . 1 1 117 117 ARG H H 1 8.191 0.006 . 1 . . . A 135 ARG H . 25028 1 1372 . 1 1 117 117 ARG HA H 1 4.753 0.006 . 1 . . . A 135 ARG HA . 25028 1 1373 . 1 1 117 117 ARG HB2 H 1 2.246 0.006 . 2 . . . A 135 ARG HB2 . 25028 1 1374 . 1 1 117 117 ARG HB3 H 1 1.836 0.006 . 2 . . . A 135 ARG HB3 . 25028 1 1375 . 1 1 117 117 ARG HG2 H 1 1.831 0.006 . 1 . . . A 135 ARG QG . 25028 1 1376 . 1 1 117 117 ARG HG3 H 1 1.831 0.006 . 1 . . . A 135 ARG QG . 25028 1 1377 . 1 1 117 117 ARG HD2 H 1 3.318 0.006 . 2 . . . A 135 ARG HD2 . 25028 1 1378 . 1 1 117 117 ARG HD3 H 1 2.696 0.006 . 2 . . . A 135 ARG HD3 . 25028 1 1379 . 1 1 117 117 ARG CA C 13 54.941 0.125 . 1 . . . A 135 ARG CA . 25028 1 1380 . 1 1 117 117 ARG CB C 13 32.769 0.125 . 1 . . . A 135 ARG CB . 25028 1 1381 . 1 1 117 117 ARG CG C 13 26.383 0.125 . 1 . . . A 135 ARG CG . 25028 1 1382 . 1 1 117 117 ARG CD C 13 44.292 0.125 . 1 . . . A 135 ARG CD . 25028 1 1383 . 1 1 117 117 ARG N N 15 121.423 0.160 . 1 . . . A 135 ARG N . 25028 1 1384 . 1 1 118 118 THR H H 1 8.593 0.006 . 1 . . . A 136 THR H . 25028 1 1385 . 1 1 118 118 THR HA H 1 5.170 0.006 . 1 . . . A 136 THR HA . 25028 1 1386 . 1 1 118 118 THR HB H 1 4.571 0.006 . 1 . . . A 136 THR HB . 25028 1 1387 . 1 1 118 118 THR HG21 H 1 1.369 0.006 . 1 . . . A 136 THR QG2 . 25028 1 1388 . 1 1 118 118 THR HG22 H 1 1.369 0.006 . 1 . . . A 136 THR QG2 . 25028 1 1389 . 1 1 118 118 THR HG23 H 1 1.369 0.006 . 1 . . . A 136 THR QG2 . 25028 1 1390 . 1 1 118 118 THR CA C 13 60.816 0.125 . 1 . . . A 136 THR CA . 25028 1 1391 . 1 1 118 118 THR CB C 13 69.994 0.125 . 1 . . . A 136 THR CB . 25028 1 1392 . 1 1 118 118 THR CG2 C 13 21.448 0.125 . 1 . . . A 136 THR CG2 . 25028 1 1393 . 1 1 118 118 THR N N 15 111.502 0.160 . 1 . . . A 136 THR N . 25028 1 1394 . 1 1 119 119 GLU H H 1 8.238 0.006 . 1 . . . A 137 GLU H . 25028 1 1395 . 1 1 119 119 GLU HA H 1 4.274 0.006 . 1 . . . A 137 GLU HA . 25028 1 1396 . 1 1 119 119 GLU HB2 H 1 2.028 0.006 . 2 . . . A 137 GLU HB2 . 25028 1 1397 . 1 1 119 119 GLU HB3 H 1 2.207 0.006 . 2 . . . A 137 GLU HB3 . 25028 1 1398 . 1 1 119 119 GLU HG2 H 1 2.269 0.006 . 2 . . . A 137 GLU HG2 . 25028 1 1399 . 1 1 119 119 GLU HG3 H 1 2.299 0.006 . 2 . . . A 137 GLU HG3 . 25028 1 1400 . 1 1 119 119 GLU CA C 13 57.513 0.125 . 1 . . . A 137 GLU CA . 25028 1 1401 . 1 1 119 119 GLU CB C 13 30.975 0.125 . 1 . . . A 137 GLU CB . 25028 1 1402 . 1 1 119 119 GLU CG C 13 35.950 0.125 . 1 . . . A 137 GLU CG . 25028 1 1403 . 1 1 119 119 GLU N N 15 127.107 0.160 . 1 . . . A 137 GLU N . 25028 1 stop_ save_