data_18041 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18041 _Entry.Title ; Solution structure of the EDC3-LSm domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-07 _Entry.Accession_date 2011-11-07 _Entry.Last_release_date 2012-01-23 _Entry.Original_release_date 2012-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vincent Truffault . . . 18041 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18041 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Edc3-LSm domain' . 18041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 18041 '15N chemical shifts' 93 18041 '1H chemical shifts' 596 18041 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-23 2011-11-07 original author . 18041 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18042 'Assigned NMR chemical shifts of EDC3:DCP2' 18041 PDB 4A53 'BMRB Entry Tracking System' 18041 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18041 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22085934 _Citation.Full_citation . _Citation.Title 'The structural basis of Edc3- and Scd6-mediated activation of the Dcp1:Dcp2 mRNA decapping complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 31 _Citation.Journal_issue 2 _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 279 _Citation.Page_last 290 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Simon Fromm . A. . 18041 1 2 Vincent Truffault . . . 18041 1 3 Julia Kamenz . . . 18041 1 4 Joerg Braun . E. . 18041 1 5 Niklas Hoffmann . A. . 18041 1 6 Elisa Izaurralde . . . 18041 1 7 Remco Sprangers . . . 18041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18041 _Assembly.ID 1 _Assembly.Name 'EDC3-LSm domain' _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 'EDC3-LSm domain' 1 $EDC3-LSm A . yes native no no . . . 18041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EDC3-LSm _Entity.Sf_category entity _Entity.Sf_framecode EDC3-LSm _Entity.Entry_ID 18041 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EDC3-LSm _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 ; GAMGMSVADFYGSNVEVLLN NDSKARGVITNFDSSNSILQ LRLANDSTKSIVTKDIKDLR ILPKNEIMPKNGTKSPSTNS TKLKSAETYSSKNKWSMDCD EEFDFAANLEKFDKKQVFAE FREKD ; _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 125 _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 14016.833 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18042 . EDC3 . . . . . 76.80 96 100.00 100.00 4.43e-60 . . . . 18041 1 2 no PDB 4A53 . "Structural Basis Of The Dcp1:dcp2 Mrna Decapping Complex Activation By Edc3 And Scd6" . . . . . 100.00 125 100.00 100.00 8.60e-84 . . . . 18041 1 3 no PDB 4A54 . "Structural Basis Of The Dcp1:dcp2 Mrna Decapping Complex Activation By Edc3 And Scd6" . . . . . 76.80 96 100.00 100.00 4.43e-60 . . . . 18041 1 4 no EMBL CAA22671 . "enhancer of mRNA decapping Edc3 (predicted) [Schizosaccharomyces pombe]" . . . . . 96.80 454 100.00 100.00 2.40e-77 . . . . 18041 1 5 no REF NP_595858 . "enhancer of mRNA decapping Edc3 (predicted) [Schizosaccharomyces pombe 972h-]" . . . . . 96.80 454 100.00 100.00 2.40e-77 . . . . 18041 1 6 no SP O94752 . "RecName: Full=Enhancer of mRNA-decapping protein 3" . . . . . 96.80 454 100.00 100.00 2.40e-77 . . . . 18041 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 -3 GLY . 18041 1 2 -2 ALA . 18041 1 3 -1 MET . 18041 1 4 0 GLY . 18041 1 5 1 MET . 18041 1 6 2 SER . 18041 1 7 3 VAL . 18041 1 8 4 ALA . 18041 1 9 5 ASP . 18041 1 10 6 PHE . 18041 1 11 7 TYR . 18041 1 12 8 GLY . 18041 1 13 9 SER . 18041 1 14 10 ASN . 18041 1 15 11 VAL . 18041 1 16 12 GLU . 18041 1 17 13 VAL . 18041 1 18 14 LEU . 18041 1 19 15 LEU . 18041 1 20 16 ASN . 18041 1 21 17 ASN . 18041 1 22 18 ASP . 18041 1 23 19 SER . 18041 1 24 20 LYS . 18041 1 25 21 ALA . 18041 1 26 22 ARG . 18041 1 27 23 GLY . 18041 1 28 24 VAL . 18041 1 29 25 ILE . 18041 1 30 26 THR . 18041 1 31 27 ASN . 18041 1 32 28 PHE . 18041 1 33 29 ASP . 18041 1 34 30 SER . 18041 1 35 31 SER . 18041 1 36 32 ASN . 18041 1 37 33 SER . 18041 1 38 34 ILE . 18041 1 39 35 LEU . 18041 1 40 36 GLN . 18041 1 41 37 LEU . 18041 1 42 38 ARG . 18041 1 43 39 LEU . 18041 1 44 40 ALA . 18041 1 45 41 ASN . 18041 1 46 42 ASP . 18041 1 47 43 SER . 18041 1 48 44 THR . 18041 1 49 45 LYS . 18041 1 50 46 SER . 18041 1 51 47 ILE . 18041 1 52 48 VAL . 18041 1 53 49 THR . 18041 1 54 50 LYS . 18041 1 55 51 ASP . 18041 1 56 52 ILE . 18041 1 57 53 LYS . 18041 1 58 54 ASP . 18041 1 59 55 LEU . 18041 1 60 56 ARG . 18041 1 61 57 ILE . 18041 1 62 58 LEU . 18041 1 63 59 PRO . 18041 1 64 60 LYS . 18041 1 65 61 ASN . 18041 1 66 62 GLU . 18041 1 67 63 ILE . 18041 1 68 64 MET . 18041 1 69 65 PRO . 18041 1 70 66 LYS . 18041 1 71 67 ASN . 18041 1 72 68 GLY . 18041 1 73 69 THR . 18041 1 74 70 LYS . 18041 1 75 71 SER . 18041 1 76 72 PRO . 18041 1 77 73 SER . 18041 1 78 74 THR . 18041 1 79 75 ASN . 18041 1 80 76 SER . 18041 1 81 77 THR . 18041 1 82 78 LYS . 18041 1 83 79 LEU . 18041 1 84 80 LYS . 18041 1 85 81 SER . 18041 1 86 82 ALA . 18041 1 87 83 GLU . 18041 1 88 84 THR . 18041 1 89 85 TYR . 18041 1 90 86 SER . 18041 1 91 87 SER . 18041 1 92 88 LYS . 18041 1 93 89 ASN . 18041 1 94 90 LYS . 18041 1 95 91 TRP . 18041 1 96 92 SER . 18041 1 97 93 MET . 18041 1 98 94 ASP . 18041 1 99 95 CYS . 18041 1 100 96 ASP . 18041 1 101 97 GLU . 18041 1 102 98 GLU . 18041 1 103 99 PHE . 18041 1 104 100 ASP . 18041 1 105 101 PHE . 18041 1 106 102 ALA . 18041 1 107 103 ALA . 18041 1 108 104 ASN . 18041 1 109 105 LEU . 18041 1 110 106 GLU . 18041 1 111 107 LYS . 18041 1 112 108 PHE . 18041 1 113 109 ASP . 18041 1 114 110 LYS . 18041 1 115 111 LYS . 18041 1 116 112 GLN . 18041 1 117 113 VAL . 18041 1 118 114 PHE . 18041 1 119 115 ALA . 18041 1 120 116 GLU . 18041 1 121 117 PHE . 18041 1 122 118 ARG . 18041 1 123 119 GLU . 18041 1 124 120 LYS . 18041 1 125 121 ASP . 18041 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 18041 1 . ALA 2 2 18041 1 . MET 3 3 18041 1 . GLY 4 4 18041 1 . MET 5 5 18041 1 . SER 6 6 18041 1 . VAL 7 7 18041 1 . ALA 8 8 18041 1 . ASP 9 9 18041 1 . PHE 10 10 18041 1 . TYR 11 11 18041 1 . GLY 12 12 18041 1 . SER 13 13 18041 1 . ASN 14 14 18041 1 . VAL 15 15 18041 1 . GLU 16 16 18041 1 . VAL 17 17 18041 1 . LEU 18 18 18041 1 . LEU 19 19 18041 1 . ASN 20 20 18041 1 . ASN 21 21 18041 1 . ASP 22 22 18041 1 . SER 23 23 18041 1 . LYS 24 24 18041 1 . ALA 25 25 18041 1 . ARG 26 26 18041 1 . GLY 27 27 18041 1 . VAL 28 28 18041 1 . ILE 29 29 18041 1 . THR 30 30 18041 1 . ASN 31 31 18041 1 . PHE 32 32 18041 1 . ASP 33 33 18041 1 . SER 34 34 18041 1 . SER 35 35 18041 1 . ASN 36 36 18041 1 . SER 37 37 18041 1 . ILE 38 38 18041 1 . LEU 39 39 18041 1 . GLN 40 40 18041 1 . LEU 41 41 18041 1 . ARG 42 42 18041 1 . LEU 43 43 18041 1 . ALA 44 44 18041 1 . ASN 45 45 18041 1 . ASP 46 46 18041 1 . SER 47 47 18041 1 . THR 48 48 18041 1 . LYS 49 49 18041 1 . SER 50 50 18041 1 . ILE 51 51 18041 1 . VAL 52 52 18041 1 . THR 53 53 18041 1 . LYS 54 54 18041 1 . ASP 55 55 18041 1 . ILE 56 56 18041 1 . LYS 57 57 18041 1 . ASP 58 58 18041 1 . LEU 59 59 18041 1 . ARG 60 60 18041 1 . ILE 61 61 18041 1 . LEU 62 62 18041 1 . PRO 63 63 18041 1 . LYS 64 64 18041 1 . ASN 65 65 18041 1 . GLU 66 66 18041 1 . ILE 67 67 18041 1 . MET 68 68 18041 1 . PRO 69 69 18041 1 . LYS 70 70 18041 1 . ASN 71 71 18041 1 . GLY 72 72 18041 1 . THR 73 73 18041 1 . LYS 74 74 18041 1 . SER 75 75 18041 1 . PRO 76 76 18041 1 . SER 77 77 18041 1 . THR 78 78 18041 1 . ASN 79 79 18041 1 . SER 80 80 18041 1 . THR 81 81 18041 1 . LYS 82 82 18041 1 . LEU 83 83 18041 1 . LYS 84 84 18041 1 . SER 85 85 18041 1 . ALA 86 86 18041 1 . GLU 87 87 18041 1 . THR 88 88 18041 1 . TYR 89 89 18041 1 . SER 90 90 18041 1 . SER 91 91 18041 1 . LYS 92 92 18041 1 . ASN 93 93 18041 1 . LYS 94 94 18041 1 . TRP 95 95 18041 1 . SER 96 96 18041 1 . MET 97 97 18041 1 . ASP 98 98 18041 1 . CYS 99 99 18041 1 . ASP 100 100 18041 1 . GLU 101 101 18041 1 . GLU 102 102 18041 1 . PHE 103 103 18041 1 . ASP 104 104 18041 1 . PHE 105 105 18041 1 . ALA 106 106 18041 1 . ALA 107 107 18041 1 . ASN 108 108 18041 1 . LEU 109 109 18041 1 . GLU 110 110 18041 1 . LYS 111 111 18041 1 . PHE 112 112 18041 1 . ASP 113 113 18041 1 . LYS 114 114 18041 1 . LYS 115 115 18041 1 . GLN 116 116 18041 1 . VAL 117 117 18041 1 . PHE 118 118 18041 1 . ALA 119 119 18041 1 . GLU 120 120 18041 1 . PHE 121 121 18041 1 . ARG 122 122 18041 1 . GLU 123 123 18041 1 . LYS 124 124 18041 1 . ASP 125 125 18041 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 18041 _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 $EDC3-LSm . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 18041 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 18041 _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 $EDC3-LSm . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 18041 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18041 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EDC3-LSm '[U-100% 15N]' . . 1 $EDC3-LSm . . 0.7 . . mM . . . . 18041 1 2 NaPO4 'natural abundance' . . . . . . 50 . . mM . . . . 18041 1 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 18041 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18041 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 18041 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18041 1 pH 7.5 . pH 18041 1 pressure 1 . atm 18041 1 temperature 303 . K 18041 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18041 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18041 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18041 1 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 18041 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18041 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18041 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 18041 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18041 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18041 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $X-PLOR_NIH _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18041 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 2.6 na indirect 1.0 . . . . . . . . . 18041 1 H 1 TMS 'methyl protons' . . . . ppm 0 na indirect 1.0 . . . . . . . . . 18041 1 N 15 TMS nitrogen . . . . ppm 0 na indirect 1.0 . . . . . . . . . 18041 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 18041 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18041 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 5 5 MET H H 1 8.06 0.02 . 1 . . . . 1 MET H . 18041 1 2 . 1 1 5 5 MET HA H 1 4.48 0.02 . 1 . . . . 1 MET HA . 18041 1 3 . 1 1 5 5 MET C C 13 175.63 0.05 . 1 . . . . 1 MET C . 18041 1 4 . 1 1 5 5 MET CA C 13 55.52 0.05 . 1 . . . . 1 MET CA . 18041 1 5 . 1 1 5 5 MET CB C 13 33.86 0.05 . 1 . . . . 1 MET CB . 18041 1 6 . 1 1 5 5 MET CG C 13 32.08 0.05 . 1 . . . . 1 MET CG . 18041 1 7 . 1 1 5 5 MET N N 15 119.36 0.05 . 1 . . . . 1 MET N . 18041 1 8 . 1 1 6 6 SER H H 1 8.58 0.02 . 1 . . . . 2 SER H . 18041 1 9 . 1 1 6 6 SER HB3 H 1 3.85 0.02 . 2 . . . . 2 SER HB3 . 18041 1 10 . 1 1 6 6 SER CA C 13 57.09 0.05 . 1 . . . . 2 SER CA . 18041 1 11 . 1 1 6 6 SER CB C 13 64.00 0.05 . 1 . . . . 2 SER CB . 18041 1 12 . 1 1 6 6 SER N N 15 117.58 0.05 . 1 . . . . 2 SER N . 18041 1 13 . 1 1 7 7 VAL H H 1 8.20 0.02 . 1 . . . . 3 VAL H . 18041 1 14 . 1 1 7 7 VAL HA H 1 3.63 0.02 . 1 . . . . 3 VAL HA . 18041 1 15 . 1 1 7 7 VAL HB H 1 1.69 0.02 . 1 . . . . 3 VAL HB . 18041 1 16 . 1 1 7 7 VAL HG11 H 1 0.83 0.02 . 2 . . . . 3 VAL MG1 . 18041 1 17 . 1 1 7 7 VAL HG12 H 1 0.83 0.02 . 2 . . . . 3 VAL MG1 . 18041 1 18 . 1 1 7 7 VAL HG13 H 1 0.83 0.02 . 2 . . . . 3 VAL MG1 . 18041 1 19 . 1 1 7 7 VAL HG21 H 1 0.68 0.02 . 2 . . . . 3 VAL MG2 . 18041 1 20 . 1 1 7 7 VAL HG22 H 1 0.68 0.02 . 2 . . . . 3 VAL MG2 . 18041 1 21 . 1 1 7 7 VAL HG23 H 1 0.68 0.02 . 2 . . . . 3 VAL MG2 . 18041 1 22 . 1 1 7 7 VAL C C 13 176.21 0.05 . 1 . . . . 3 VAL C . 18041 1 23 . 1 1 7 7 VAL CA C 13 64.95 0.05 . 1 . . . . 3 VAL CA . 18041 1 24 . 1 1 7 7 VAL CB C 13 31.62 0.05 . 1 . . . . 3 VAL CB . 18041 1 25 . 1 1 7 7 VAL CG2 C 13 21.47 0.05 . 2 . . . . 3 VAL CG2 . 18041 1 26 . 1 1 8 8 ALA H H 1 7.83 0.02 . 1 . . . . 4 ALA H . 18041 1 27 . 1 1 8 8 ALA HA H 1 3.49 0.02 . 1 . . . . 4 ALA HA . 18041 1 28 . 1 1 8 8 ALA HB1 H 1 1.22 0.02 . 1 . . . . 4 ALA MB . 18041 1 29 . 1 1 8 8 ALA HB2 H 1 1.22 0.02 . 1 . . . . 4 ALA MB . 18041 1 30 . 1 1 8 8 ALA HB3 H 1 1.22 0.02 . 1 . . . . 4 ALA MB . 18041 1 31 . 1 1 8 8 ALA C C 13 178.88 0.05 . 1 . . . . 4 ALA C . 18041 1 32 . 1 1 8 8 ALA CA C 13 53.78 0.05 . 1 . . . . 4 ALA CA . 18041 1 33 . 1 1 8 8 ALA CB C 13 18.22 0.05 . 1 . . . . 4 ALA CB . 18041 1 34 . 1 1 8 8 ALA N N 15 120.78 0.05 . 1 . . . . 4 ALA N . 18041 1 35 . 1 1 9 9 ASP H H 1 7.64 0.02 . 1 . . . . 5 ASP H . 18041 1 36 . 1 1 9 9 ASP HA H 1 4.33 0.02 . 1 . . . . 5 ASP HA . 18041 1 37 . 1 1 9 9 ASP HB2 H 1 2.44 0.02 . 1 . . . . 5 ASP HB2 . 18041 1 38 . 1 1 9 9 ASP HB3 H 1 2.39 0.02 . 1 . . . . 5 ASP HB3 . 18041 1 39 . 1 1 9 9 ASP C C 13 176.52 0.05 . 1 . . . . 5 ASP C . 18041 1 40 . 1 1 9 9 ASP CA C 13 55.75 0.05 . 1 . . . . 5 ASP CA . 18041 1 41 . 1 1 9 9 ASP CB C 13 40.30 0.05 . 1 . . . . 5 ASP CB . 18041 1 42 . 1 1 9 9 ASP N N 15 116.50 0.05 . 1 . . . . 5 ASP N . 18041 1 43 . 1 1 10 10 PHE H H 1 7.83 0.02 . 1 . . . . 6 PHE H . 18041 1 44 . 1 1 10 10 PHE HA H 1 4.52 0.02 . 1 . . . . 6 PHE HA . 18041 1 45 . 1 1 10 10 PHE HB2 H 1 2.85 0.02 . 1 . . . . 6 PHE HB2 . 18041 1 46 . 1 1 10 10 PHE HB3 H 1 3.26 0.02 . 1 . . . . 6 PHE HB3 . 18041 1 47 . 1 1 10 10 PHE HD1 H 1 7.19 0.02 . 1 . . . . 6 PHE HD1 . 18041 1 48 . 1 1 10 10 PHE HD2 H 1 7.19 0.02 . 1 . . . . 6 PHE HD2 . 18041 1 49 . 1 1 10 10 PHE HE1 H 1 7.09 0.02 . 1 . . . . 6 PHE HE1 . 18041 1 50 . 1 1 10 10 PHE HE2 H 1 7.09 0.02 . 1 . . . . 6 PHE HE2 . 18041 1 51 . 1 1 10 10 PHE C C 13 175.92 0.05 . 1 . . . . 6 PHE C . 18041 1 52 . 1 1 10 10 PHE CA C 13 57.65 0.05 . 1 . . . . 6 PHE CA . 18041 1 53 . 1 1 10 10 PHE CB C 13 39.27 0.05 . 1 . . . . 6 PHE CB . 18041 1 54 . 1 1 10 10 PHE N N 15 116.52 0.05 . 1 . . . . 6 PHE N . 18041 1 55 . 1 1 11 11 TYR H H 1 7.53 0.02 . 1 . . . . 7 TYR H . 18041 1 56 . 1 1 11 11 TYR HA H 1 4.24 0.02 . 1 . . . . 7 TYR HA . 18041 1 57 . 1 1 11 11 TYR HB2 H 1 3.08 0.02 . 1 . . . . 7 TYR HB2 . 18041 1 58 . 1 1 11 11 TYR HB3 H 1 3.12 0.02 . 1 . . . . 7 TYR HB3 . 18041 1 59 . 1 1 11 11 TYR HD1 H 1 7.02 0.02 . 1 . . . . 7 TYR HD1 . 18041 1 60 . 1 1 11 11 TYR HD2 H 1 7.02 0.02 . 1 . . . . 7 TYR HD2 . 18041 1 61 . 1 1 11 11 TYR HE1 H 1 6.80 0.02 . 1 . . . . 7 TYR HE1 . 18041 1 62 . 1 1 11 11 TYR HE2 H 1 6.80 0.02 . 1 . . . . 7 TYR HE2 . 18041 1 63 . 1 1 11 11 TYR C C 13 177.44 0.05 . 1 . . . . 7 TYR C . 18041 1 64 . 1 1 11 11 TYR CA C 13 58.78 0.05 . 1 . . . . 7 TYR CA . 18041 1 65 . 1 1 11 11 TYR CB C 13 36.74 0.05 . 1 . . . . 7 TYR CB . 18041 1 66 . 1 1 11 11 TYR N N 15 120.98 0.05 . 1 . . . . 7 TYR N . 18041 1 67 . 1 1 12 12 GLY H H 1 8.88 0.02 . 1 . . . . 8 GLY H . 18041 1 68 . 1 1 12 12 GLY HA2 H 1 3.45 0.02 . 1 . . . . 8 GLY HA2 . 18041 1 69 . 1 1 12 12 GLY HA3 H 1 4.24 0.02 . 1 . . . . 8 GLY HA3 . 18041 1 70 . 1 1 12 12 GLY C C 13 174.46 0.05 . 1 . . . . 8 GLY C . 18041 1 71 . 1 1 12 12 GLY CA C 13 45.28 0.05 . 1 . . . . 8 GLY CA . 18041 1 72 . 1 1 12 12 GLY N N 15 113.37 0.05 . 1 . . . . 8 GLY N . 18041 1 73 . 1 1 13 13 SER H H 1 8.19 0.02 . 1 . . . . 9 SER H . 18041 1 74 . 1 1 13 13 SER HA H 1 4.55 0.02 . 1 . . . . 9 SER HA . 18041 1 75 . 1 1 13 13 SER HB2 H 1 4.04 0.02 . 1 . . . . 9 SER HB2 . 18041 1 76 . 1 1 13 13 SER HB3 H 1 3.91 0.02 . 1 . . . . 9 SER HB3 . 18041 1 77 . 1 1 13 13 SER C C 13 172.61 0.05 . 1 . . . . 9 SER C . 18041 1 78 . 1 1 13 13 SER CA C 13 59.70 0.05 . 1 . . . . 9 SER CA . 18041 1 79 . 1 1 13 13 SER CB C 13 64.14 0.05 . 1 . . . . 9 SER CB . 18041 1 80 . 1 1 13 13 SER N N 15 116.61 0.05 . 1 . . . . 9 SER N . 18041 1 81 . 1 1 14 14 ASN H H 1 8.89 0.02 . 1 . . . . 10 ASN H . 18041 1 82 . 1 1 14 14 ASN HA H 1 5.01 0.02 . 1 . . . . 10 ASN HA . 18041 1 83 . 1 1 14 14 ASN HB2 H 1 2.68 0.02 . 1 . . . . 10 ASN HB2 . 18041 1 84 . 1 1 14 14 ASN HB3 H 1 2.68 0.02 . 1 . . . . 10 ASN HB3 . 18041 1 85 . 1 1 14 14 ASN HD21 H 1 7.38 0.02 . 1 . . . . 10 ASN HD21 . 18041 1 86 . 1 1 14 14 ASN HD22 H 1 6.68 0.02 . 1 . . . . 10 ASN HD22 . 18041 1 87 . 1 1 14 14 ASN C C 13 174.74 0.05 . 1 . . . . 10 ASN C . 18041 1 88 . 1 1 14 14 ASN CA C 13 53.00 0.05 . 1 . . . . 10 ASN CA . 18041 1 89 . 1 1 14 14 ASN CB C 13 39.56 0.05 . 1 . . . . 10 ASN CB . 18041 1 90 . 1 1 14 14 ASN N N 15 123.09 0.05 . 1 . . . . 10 ASN N . 18041 1 91 . 1 1 15 15 VAL H H 1 9.23 0.02 . 1 . . . . 11 VAL H . 18041 1 92 . 1 1 15 15 VAL HA H 1 5.31 0.02 . 1 . . . . 11 VAL HA . 18041 1 93 . 1 1 15 15 VAL HB H 1 1.95 0.02 . 1 . . . . 11 VAL HB . 18041 1 94 . 1 1 15 15 VAL HG11 H 1 0.81 0.02 . 1 . . . . 11 VAL MG1 . 18041 1 95 . 1 1 15 15 VAL HG12 H 1 0.81 0.02 . 1 . . . . 11 VAL MG1 . 18041 1 96 . 1 1 15 15 VAL HG13 H 1 0.81 0.02 . 1 . . . . 11 VAL MG1 . 18041 1 97 . 1 1 15 15 VAL HG21 H 1 0.70 0.02 . 1 . . . . 11 VAL MG2 . 18041 1 98 . 1 1 15 15 VAL HG22 H 1 0.70 0.02 . 1 . . . . 11 VAL MG2 . 18041 1 99 . 1 1 15 15 VAL HG23 H 1 0.70 0.02 . 1 . . . . 11 VAL MG2 . 18041 1 100 . 1 1 15 15 VAL C C 13 173.81 0.05 . 1 . . . . 11 VAL C . 18041 1 101 . 1 1 15 15 VAL CA C 13 58.78 0.05 . 1 . . . . 11 VAL CA . 18041 1 102 . 1 1 15 15 VAL CB C 13 36.24 0.05 . 1 . . . . 11 VAL CB . 18041 1 103 . 1 1 15 15 VAL CG1 C 13 22.03 0.05 . 1 . . . . 11 VAL CG1 . 18041 1 104 . 1 1 15 15 VAL CG2 C 13 19.65 0.05 . 1 . . . . 11 VAL CG2 . 18041 1 105 . 1 1 15 15 VAL N N 15 117.74 0.05 . 1 . . . . 11 VAL N . 18041 1 106 . 1 1 16 16 GLU H H 1 8.76 0.02 . 1 . . . . 12 GLU H . 18041 1 107 . 1 1 16 16 GLU HA H 1 5.06 0.02 . 1 . . . . 12 GLU HA . 18041 1 108 . 1 1 16 16 GLU HB2 H 1 2.00 0.02 . 2 . . . . 12 GLU HB2 . 18041 1 109 . 1 1 16 16 GLU HB3 H 1 1.83 0.02 . 2 . . . . 12 GLU HB3 . 18041 1 110 . 1 1 16 16 GLU HG2 H 1 2.01 0.02 . 2 . . . . 12 GLU HG2 . 18041 1 111 . 1 1 16 16 GLU HG3 H 1 1.92 0.02 . 2 . . . . 12 GLU HG3 . 18041 1 112 . 1 1 16 16 GLU C C 13 174.81 0.05 . 1 . . . . 12 GLU C . 18041 1 113 . 1 1 16 16 GLU CA C 13 55.06 0.05 . 1 . . . . 12 GLU CA . 18041 1 114 . 1 1 16 16 GLU CB C 13 33.96 0.05 . 1 . . . . 12 GLU CB . 18041 1 115 . 1 1 16 16 GLU CG C 13 38.19 0.05 . 1 . . . . 12 GLU CG . 18041 1 116 . 1 1 16 16 GLU N N 15 119.81 0.05 . 1 . . . . 12 GLU N . 18041 1 117 . 1 1 17 17 VAL H H 1 9.40 0.02 . 1 . . . . 13 VAL H . 18041 1 118 . 1 1 17 17 VAL HA H 1 4.58 0.02 . 1 . . . . 13 VAL HA . 18041 1 119 . 1 1 17 17 VAL HB H 1 1.92 0.02 . 1 . . . . 13 VAL HB . 18041 1 120 . 1 1 17 17 VAL HG11 H 1 0.77 0.02 . 2 . . . . 13 VAL MG1 . 18041 1 121 . 1 1 17 17 VAL HG12 H 1 0.77 0.02 . 2 . . . . 13 VAL MG1 . 18041 1 122 . 1 1 17 17 VAL HG13 H 1 0.77 0.02 . 2 . . . . 13 VAL MG1 . 18041 1 123 . 1 1 17 17 VAL HG21 H 1 0.86 0.02 . 2 . . . . 13 VAL MG2 . 18041 1 124 . 1 1 17 17 VAL HG22 H 1 0.86 0.02 . 2 . . . . 13 VAL MG2 . 18041 1 125 . 1 1 17 17 VAL HG23 H 1 0.86 0.02 . 2 . . . . 13 VAL MG2 . 18041 1 126 . 1 1 17 17 VAL C C 13 173.47 0.05 . 1 . . . . 13 VAL C . 18041 1 127 . 1 1 17 17 VAL CA C 13 60.28 0.05 . 1 . . . . 13 VAL CA . 18041 1 128 . 1 1 17 17 VAL CB C 13 33.77 0.05 . 1 . . . . 13 VAL CB . 18041 1 129 . 1 1 17 17 VAL CG1 C 13 21.36 0.05 . 2 . . . . 13 VAL CG1 . 18041 1 130 . 1 1 17 17 VAL CG2 C 13 23.13 0.05 . 2 . . . . 13 VAL CG2 . 18041 1 131 . 1 1 17 17 VAL N N 15 126.17 0.05 . 1 . . . . 13 VAL N . 18041 1 132 . 1 1 18 18 LEU H H 1 8.72 0.02 . 1 . . . . 14 LEU H . 18041 1 133 . 1 1 18 18 LEU HA H 1 4.91 0.02 . 1 . . . . 14 LEU HA . 18041 1 134 . 1 1 18 18 LEU HB2 H 1 1.37 0.02 . 1 . . . . 14 LEU HB2 . 18041 1 135 . 1 1 18 18 LEU HB3 H 1 1.77 0.02 . 1 . . . . 14 LEU HB3 . 18041 1 136 . 1 1 18 18 LEU HG H 1 1.58 0.02 . 1 . . . . 14 LEU HG . 18041 1 137 . 1 1 18 18 LEU HD11 H 1 0.89 0.02 . 1 . . . . 14 LEU MD1 . 18041 1 138 . 1 1 18 18 LEU HD12 H 1 0.89 0.02 . 1 . . . . 14 LEU MD1 . 18041 1 139 . 1 1 18 18 LEU HD13 H 1 0.89 0.02 . 1 . . . . 14 LEU MD1 . 18041 1 140 . 1 1 18 18 LEU HD21 H 1 0.87 0.02 . 1 . . . . 14 LEU MD2 . 18041 1 141 . 1 1 18 18 LEU HD22 H 1 0.87 0.02 . 1 . . . . 14 LEU MD2 . 18041 1 142 . 1 1 18 18 LEU HD23 H 1 0.87 0.02 . 1 . . . . 14 LEU MD2 . 18041 1 143 . 1 1 18 18 LEU C C 13 176.06 0.05 . 1 . . . . 14 LEU C . 18041 1 144 . 1 1 18 18 LEU CA C 13 53.72 0.05 . 1 . . . . 14 LEU CA . 18041 1 145 . 1 1 18 18 LEU CB C 13 43.72 0.05 . 1 . . . . 14 LEU CB . 18041 1 146 . 1 1 18 18 LEU CG C 13 27.30 0.05 . 1 . . . . 14 LEU CG . 18041 1 147 . 1 1 18 18 LEU CD1 C 13 23.99 0.05 . 1 . . . . 14 LEU CD1 . 18041 1 148 . 1 1 18 18 LEU CD2 C 13 26.15 0.05 . 1 . . . . 14 LEU CD2 . 18041 1 149 . 1 1 18 18 LEU N N 15 128.18 0.05 . 1 . . . . 14 LEU N . 18041 1 150 . 1 1 19 19 LEU H H 1 8.96 0.02 . 1 . . . . 15 LEU H . 18041 1 151 . 1 1 19 19 LEU HA H 1 5.08 0.02 . 1 . . . . 15 LEU HA . 18041 1 152 . 1 1 19 19 LEU HB2 H 1 1.95 0.02 . 1 . . . . 15 LEU HB2 . 18041 1 153 . 1 1 19 19 LEU HB3 H 1 1.70 0.02 . 1 . . . . 15 LEU HB3 . 18041 1 154 . 1 1 19 19 LEU HG H 1 1.57 0.02 . 1 . . . . 15 LEU HG . 18041 1 155 . 1 1 19 19 LEU HD11 H 1 0.82 0.02 . 1 . . . . 15 LEU MD1 . 18041 1 156 . 1 1 19 19 LEU HD12 H 1 0.82 0.02 . 1 . . . . 15 LEU MD1 . 18041 1 157 . 1 1 19 19 LEU HD13 H 1 0.82 0.02 . 1 . . . . 15 LEU MD1 . 18041 1 158 . 1 1 19 19 LEU HD21 H 1 0.76 0.02 . 1 . . . . 15 LEU MD2 . 18041 1 159 . 1 1 19 19 LEU HD22 H 1 0.76 0.02 . 1 . . . . 15 LEU MD2 . 18041 1 160 . 1 1 19 19 LEU HD23 H 1 0.76 0.02 . 1 . . . . 15 LEU MD2 . 18041 1 161 . 1 1 19 19 LEU C C 13 178.77 0.05 . 1 . . . . 15 LEU C . 18041 1 162 . 1 1 19 19 LEU CA C 13 54.53 0.05 . 1 . . . . 15 LEU CA . 18041 1 163 . 1 1 19 19 LEU CB C 13 42.33 0.05 . 1 . . . . 15 LEU CB . 18041 1 164 . 1 1 19 19 LEU CG C 13 28.64 0.05 . 1 . . . . 15 LEU CG . 18041 1 165 . 1 1 19 19 LEU CD1 C 13 24.82 0.05 . 1 . . . . 15 LEU CD1 . 18041 1 166 . 1 1 19 19 LEU CD2 C 13 24.52 0.05 . 1 . . . . 15 LEU CD2 . 18041 1 167 . 1 1 19 19 LEU N N 15 127.32 0.05 . 1 . . . . 15 LEU N . 18041 1 168 . 1 1 20 20 ASN H H 1 8.58 0.02 . 1 . . . . 16 ASN H . 18041 1 169 . 1 1 20 20 ASN HA H 1 4.33 0.02 . 1 . . . . 16 ASN HA . 18041 1 170 . 1 1 20 20 ASN HB2 H 1 2.81 0.02 . 1 . . . . 16 ASN HB2 . 18041 1 171 . 1 1 20 20 ASN HB3 H 1 2.87 0.02 . 1 . . . . 16 ASN HB3 . 18041 1 172 . 1 1 20 20 ASN HD21 H 1 7.63 0.02 . 1 . . . . 16 ASN HD21 . 18041 1 173 . 1 1 20 20 ASN HD22 H 1 6.66 0.02 . 1 . . . . 16 ASN HD22 . 18041 1 174 . 1 1 20 20 ASN C C 13 175.50 0.05 . 1 . . . . 16 ASN C . 18041 1 175 . 1 1 20 20 ASN CA C 13 55.66 0.05 . 1 . . . . 16 ASN CA . 18041 1 176 . 1 1 20 20 ASN CB C 13 37.79 0.05 . 1 . . . . 16 ASN CB . 18041 1 177 . 1 1 20 20 ASN N N 15 118.62 0.05 . 1 . . . . 16 ASN N . 18041 1 178 . 1 1 20 20 ASN ND2 N 15 111.42 0.05 . 1 . . . . 16 ASN ND2 . 18041 1 179 . 1 1 21 21 ASN H H 1 7.73 0.02 . 1 . . . . 17 ASN H . 18041 1 180 . 1 1 21 21 ASN HA H 1 4.62 0.02 . 1 . . . . 17 ASN HA . 18041 1 181 . 1 1 21 21 ASN HB2 H 1 3.28 0.02 . 1 . . . . 17 ASN HB2 . 18041 1 182 . 1 1 21 21 ASN HB3 H 1 2.77 0.02 . 1 . . . . 17 ASN HB3 . 18041 1 183 . 1 1 21 21 ASN HD21 H 1 6.9 0.02 . 2 . . . . 17 ASN HD21 . 18041 1 184 . 1 1 21 21 ASN C C 13 175.49 0.05 . 1 . . . . 17 ASN C . 18041 1 185 . 1 1 21 21 ASN CA C 13 52.48 0.05 . 1 . . . . 17 ASN CA . 18041 1 186 . 1 1 21 21 ASN CB C 13 37.14 0.05 . 1 . . . . 17 ASN CB . 18041 1 187 . 1 1 21 21 ASN N N 15 116.44 0.05 . 1 . . . . 17 ASN N . 18041 1 188 . 1 1 22 22 ASP H H 1 8.35 0.02 . 1 . . . . 18 ASP H . 18041 1 189 . 1 1 22 22 ASP HA H 1 4.39 0.02 . 1 . . . . 18 ASP HA . 18041 1 190 . 1 1 22 22 ASP HB2 H 1 2.92 0.02 . 2 . . . . 18 ASP HB2 . 18041 1 191 . 1 1 22 22 ASP C C 13 175.03 0.05 . 1 . . . . 18 ASP C . 18041 1 192 . 1 1 22 22 ASP CA C 13 56.81 0.05 . 1 . . . . 18 ASP CA . 18041 1 193 . 1 1 22 22 ASP CB C 13 39.06 0.05 . 1 . . . . 18 ASP CB . 18041 1 194 . 1 1 22 22 ASP N N 15 113.77 0.05 . 1 . . . . 18 ASP N . 18041 1 195 . 1 1 23 23 SER H H 1 7.66 0.02 . 1 . . . . 19 SER H . 18041 1 196 . 1 1 23 23 SER HA H 1 4.56 0.02 . 1 . . . . 19 SER HA . 18041 1 197 . 1 1 23 23 SER HB2 H 1 4.00 0.02 . 2 . . . . 19 SER HB2 . 18041 1 198 . 1 1 23 23 SER HB3 H 1 3.79 0.02 . 2 . . . . 19 SER HB3 . 18041 1 199 . 1 1 23 23 SER C C 13 172.63 0.05 . 1 . . . . 19 SER C . 18041 1 200 . 1 1 23 23 SER CA C 13 58.43 0.05 . 1 . . . . 19 SER CA . 18041 1 201 . 1 1 23 23 SER CB C 13 64.72 0.05 . 1 . . . . 19 SER CB . 18041 1 202 . 1 1 23 23 SER N N 15 114.18 0.05 . 1 . . . . 19 SER N . 18041 1 203 . 1 1 24 24 LYS H H 1 8.33 0.02 . 1 . . . . 20 LYS H . 18041 1 204 . 1 1 24 24 LYS HA H 1 5.58 0.02 . 1 . . . . 20 LYS HA . 18041 1 205 . 1 1 24 24 LYS HB2 H 1 1.61 0.02 . 1 . . . . 20 LYS HB2 . 18041 1 206 . 1 1 24 24 LYS HB3 H 1 1.61 0.02 . 1 . . . . 20 LYS HB3 . 18041 1 207 . 1 1 24 24 LYS HG2 H 1 1.35 0.02 . 1 . . . . 20 LYS HG2 . 18041 1 208 . 1 1 24 24 LYS HG3 H 1 1.35 0.02 . 1 . . . . 20 LYS HG3 . 18041 1 209 . 1 1 24 24 LYS HD2 H 1 1.57 0.02 . 1 . . . . 20 LYS HD2 . 18041 1 210 . 1 1 24 24 LYS HD3 H 1 1.57 0.02 . 1 . . . . 20 LYS HD3 . 18041 1 211 . 1 1 24 24 LYS HE2 H 1 2.92 0.02 . 1 . . . . 20 LYS HE2 . 18041 1 212 . 1 1 24 24 LYS HE3 H 1 2.92 0.02 . 1 . . . . 20 LYS HE3 . 18041 1 213 . 1 1 24 24 LYS C C 13 176.16 0.05 . 1 . . . . 20 LYS C . 18041 1 214 . 1 1 24 24 LYS CA C 13 54.77 0.05 . 1 . . . . 20 LYS CA . 18041 1 215 . 1 1 24 24 LYS CB C 13 36.77 0.05 . 1 . . . . 20 LYS CB . 18041 1 216 . 1 1 24 24 LYS CG C 13 25.43 0.05 . 1 . . . . 20 LYS CG . 18041 1 217 . 1 1 24 24 LYS CD C 13 29.69 0.05 . 1 . . . . 20 LYS CD . 18041 1 218 . 1 1 24 24 LYS CE C 13 42.07 0.05 . 1 . . . . 20 LYS CE . 18041 1 219 . 1 1 24 24 LYS N N 15 118.57 0.05 . 1 . . . . 20 LYS N . 18041 1 220 . 1 1 25 25 ALA H H 1 8.84 0.02 . 1 . . . . 21 ALA H . 18041 1 221 . 1 1 25 25 ALA HA H 1 4.72 0.02 . 1 . . . . 21 ALA HA . 18041 1 222 . 1 1 25 25 ALA HB1 H 1 1.12 0.02 . 1 . . . . 21 ALA MB . 18041 1 223 . 1 1 25 25 ALA HB2 H 1 1.12 0.02 . 1 . . . . 21 ALA MB . 18041 1 224 . 1 1 25 25 ALA HB3 H 1 1.12 0.02 . 1 . . . . 21 ALA MB . 18041 1 225 . 1 1 25 25 ALA C C 13 174.81 0.05 . 1 . . . . 21 ALA C . 18041 1 226 . 1 1 25 25 ALA CA C 13 50.82 0.05 . 1 . . . . 21 ALA CA . 18041 1 227 . 1 1 25 25 ALA CB C 13 21.77 0.05 . 1 . . . . 21 ALA CB . 18041 1 228 . 1 1 25 25 ALA N N 15 123.64 0.05 . 1 . . . . 21 ALA N . 18041 1 229 . 1 1 26 26 ARG H H 1 8.43 0.02 . 1 . . . . 22 ARG H . 18041 1 230 . 1 1 26 26 ARG HA H 1 5.57 0.02 . 1 . . . . 22 ARG HA . 18041 1 231 . 1 1 26 26 ARG HB2 H 1 1.82 0.02 . 2 . . . . 22 ARG HB2 . 18041 1 232 . 1 1 26 26 ARG HB3 H 1 1.73 0.02 . 2 . . . . 22 ARG HB3 . 18041 1 233 . 1 1 26 26 ARG HG2 H 1 1.69 0.02 . 2 . . . . 22 ARG HG2 . 18041 1 234 . 1 1 26 26 ARG HG3 H 1 1.58 0.02 . 2 . . . . 22 ARG HG3 . 18041 1 235 . 1 1 26 26 ARG HD2 H 1 3.16 0.02 . 1 . . . . 22 ARG HD2 . 18041 1 236 . 1 1 26 26 ARG HD3 H 1 3.16 0.02 . 1 . . . . 22 ARG HD3 . 18041 1 237 . 1 1 26 26 ARG C C 13 175.09 0.05 . 1 . . . . 22 ARG C . 18041 1 238 . 1 1 26 26 ARG CA C 13 54.11 0.05 . 1 . . . . 22 ARG CA . 18041 1 239 . 1 1 26 26 ARG CB C 13 33.87 0.05 . 1 . . . . 22 ARG CB . 18041 1 240 . 1 1 26 26 ARG CG C 13 27.66 0.05 . 1 . . . . 22 ARG CG . 18041 1 241 . 1 1 26 26 ARG CD C 13 43.71 0.05 . 1 . . . . 22 ARG CD . 18041 1 242 . 1 1 26 26 ARG N N 15 120.67 0.05 . 1 . . . . 22 ARG N . 18041 1 243 . 1 1 27 27 GLY H H 1 8.50 0.02 . 1 . . . . 23 GLY H . 18041 1 244 . 1 1 27 27 GLY HA2 H 1 4.18 0.02 . 2 . . . . 23 GLY HA2 . 18041 1 245 . 1 1 27 27 GLY HA3 H 1 4.12 0.02 . 2 . . . . 23 GLY HA3 . 18041 1 246 . 1 1 27 27 GLY C C 13 170.52 0.05 . 1 . . . . 23 GLY C . 18041 1 247 . 1 1 27 27 GLY CA C 13 45.77 0.05 . 1 . . . . 23 GLY CA . 18041 1 248 . 1 1 27 27 GLY N N 15 108.68 0.05 . 1 . . . . 23 GLY N . 18041 1 249 . 1 1 28 28 VAL H H 1 8.34 0.02 . 1 . . . . 24 VAL H . 18041 1 250 . 1 1 28 28 VAL HA H 1 4.90 0.02 . 1 . . . . 24 VAL HA . 18041 1 251 . 1 1 28 28 VAL HB H 1 1.80 0.02 . 1 . . . . 24 VAL HB . 18041 1 252 . 1 1 28 28 VAL HG11 H 1 0.73 0.02 . 1 . . . . 24 VAL MG1 . 18041 1 253 . 1 1 28 28 VAL HG12 H 1 0.73 0.02 . 1 . . . . 24 VAL MG1 . 18041 1 254 . 1 1 28 28 VAL HG13 H 1 0.73 0.02 . 1 . . . . 24 VAL MG1 . 18041 1 255 . 1 1 28 28 VAL HG21 H 1 0.92 0.02 . 1 . . . . 24 VAL MG2 . 18041 1 256 . 1 1 28 28 VAL HG22 H 1 0.92 0.02 . 1 . . . . 24 VAL MG2 . 18041 1 257 . 1 1 28 28 VAL HG23 H 1 0.92 0.02 . 1 . . . . 24 VAL MG2 . 18041 1 258 . 1 1 28 28 VAL C C 13 177.27 0.05 . 1 . . . . 24 VAL C . 18041 1 259 . 1 1 28 28 VAL CA C 13 60.23 0.05 . 1 . . . . 24 VAL CA . 18041 1 260 . 1 1 28 28 VAL CB C 13 34.75 0.05 . 1 . . . . 24 VAL CB . 18041 1 261 . 1 1 28 28 VAL CG1 C 13 20.75 0.05 . 1 . . . . 24 VAL CG1 . 18041 1 262 . 1 1 28 28 VAL CG2 C 13 21.67 0.05 . 1 . . . . 24 VAL CG2 . 18041 1 263 . 1 1 28 28 VAL N N 15 119.81 0.05 . 1 . . . . 24 VAL N . 18041 1 264 . 1 1 29 29 ILE H H 1 8.37 0.02 . 1 . . . . 25 ILE H . 18041 1 265 . 1 1 29 29 ILE HA H 1 4.33 0.02 . 1 . . . . 25 ILE HA . 18041 1 266 . 1 1 29 29 ILE HB H 1 2.09 0.02 . 1 . . . . 25 ILE HB . 18041 1 267 . 1 1 29 29 ILE HG12 H 1 1.80 0.02 . 2 . . . . 25 ILE HG12 . 18041 1 268 . 1 1 29 29 ILE HG13 H 1 0.84 0.02 . 2 . . . . 25 ILE HG13 . 18041 1 269 . 1 1 29 29 ILE HG21 H 1 0.91 0.02 . 1 . . . . 25 ILE MG . 18041 1 270 . 1 1 29 29 ILE HG22 H 1 0.91 0.02 . 1 . . . . 25 ILE MG . 18041 1 271 . 1 1 29 29 ILE HG23 H 1 0.91 0.02 . 1 . . . . 25 ILE MG . 18041 1 272 . 1 1 29 29 ILE HD11 H 1 0.82 0.02 . 1 . . . . 25 ILE MD . 18041 1 273 . 1 1 29 29 ILE HD12 H 1 0.82 0.02 . 1 . . . . 25 ILE MD . 18041 1 274 . 1 1 29 29 ILE HD13 H 1 0.82 0.02 . 1 . . . . 25 ILE MD . 18041 1 275 . 1 1 29 29 ILE C C 13 176.57 0.05 . 1 . . . . 25 ILE C . 18041 1 276 . 1 1 29 29 ILE CA C 13 62.98 0.05 . 1 . . . . 25 ILE CA . 18041 1 277 . 1 1 29 29 ILE CB C 13 37.41 0.05 . 1 . . . . 25 ILE CB . 18041 1 278 . 1 1 29 29 ILE CG1 C 13 28.16 0.05 . 1 . . . . 25 ILE CG1 . 18041 1 279 . 1 1 29 29 ILE CG2 C 13 17.57 0.05 . 1 . . . . 25 ILE CG2 . 18041 1 280 . 1 1 29 29 ILE CD1 C 13 14.02 0.05 . 1 . . . . 25 ILE CD1 . 18041 1 281 . 1 1 29 29 ILE N N 15 125.98 0.05 . 1 . . . . 25 ILE N . 18041 1 282 . 1 1 30 30 THR H H 1 8.79 0.02 . 1 . . . . 26 THR H . 18041 1 283 . 1 1 30 30 THR HA H 1 4.43 0.02 . 1 . . . . 26 THR HA . 18041 1 284 . 1 1 30 30 THR HB H 1 4.17 0.02 . 1 . . . . 26 THR HB . 18041 1 285 . 1 1 30 30 THR HG21 H 1 1.11 0.02 . 1 . . . . 26 THR MG . 18041 1 286 . 1 1 30 30 THR HG22 H 1 1.11 0.02 . 1 . . . . 26 THR MG . 18041 1 287 . 1 1 30 30 THR HG23 H 1 1.11 0.02 . 1 . . . . 26 THR MG . 18041 1 288 . 1 1 30 30 THR C C 13 174.64 0.05 . 1 . . . . 26 THR C . 18041 1 289 . 1 1 30 30 THR CA C 13 61.62 0.05 . 1 . . . . 26 THR CA . 18041 1 290 . 1 1 30 30 THR CB C 13 69.61 0.05 . 1 . . . . 26 THR CB . 18041 1 291 . 1 1 30 30 THR CG2 C 13 22.76 0.05 . 1 . . . . 26 THR CG2 . 18041 1 292 . 1 1 30 30 THR N N 15 119.77 0.05 . 1 . . . . 26 THR N . 18041 1 293 . 1 1 31 31 ASN H H 1 7.51 0.02 . 1 . . . . 27 ASN H . 18041 1 294 . 1 1 31 31 ASN HA H 1 4.59 0.02 . 1 . . . . 27 ASN HA . 18041 1 295 . 1 1 31 31 ASN HB2 H 1 2.49 0.02 . 1 . . . . 27 ASN HB2 . 18041 1 296 . 1 1 31 31 ASN HB3 H 1 2.84 0.02 . 1 . . . . 27 ASN HB3 . 18041 1 297 . 1 1 31 31 ASN C C 13 172.43 0.05 . 1 . . . . 27 ASN C . 18041 1 298 . 1 1 31 31 ASN CA C 13 54.09 0.05 . 1 . . . . 27 ASN CA . 18041 1 299 . 1 1 31 31 ASN CB C 13 42.05 0.05 . 1 . . . . 27 ASN CB . 18041 1 300 . 1 1 31 31 ASN N N 15 116.60 0.05 . 1 . . . . 27 ASN N . 18041 1 301 . 1 1 32 32 PHE H H 1 8.37 0.02 . 1 . . . . 28 PHE H . 18041 1 302 . 1 1 32 32 PHE HA H 1 5.22 0.02 . 1 . . . . 28 PHE HA . 18041 1 303 . 1 1 32 32 PHE HB2 H 1 2.98 0.02 . 1 . . . . 28 PHE HB2 . 18041 1 304 . 1 1 32 32 PHE HB3 H 1 3.13 0.02 . 1 . . . . 28 PHE HB3 . 18041 1 305 . 1 1 32 32 PHE HD1 H 1 7.10 0.02 . 1 . . . . 28 PHE HD1 . 18041 1 306 . 1 1 32 32 PHE HD2 H 1 7.10 0.02 . 1 . . . . 28 PHE HD2 . 18041 1 307 . 1 1 32 32 PHE HE1 H 1 6.80 0.02 . 1 . . . . 28 PHE HE1 . 18041 1 308 . 1 1 32 32 PHE HE2 H 1 6.80 0.02 . 1 . . . . 28 PHE HE2 . 18041 1 309 . 1 1 32 32 PHE C C 13 172.70 0.05 . 1 . . . . 28 PHE C . 18041 1 310 . 1 1 32 32 PHE CA C 13 56.84 0.05 . 1 . . . . 28 PHE CA . 18041 1 311 . 1 1 32 32 PHE CB C 13 41.86 0.05 . 1 . . . . 28 PHE CB . 18041 1 312 . 1 1 32 32 PHE N N 15 122.27 0.05 . 1 . . . . 28 PHE N . 18041 1 313 . 1 1 33 33 ASP H H 1 8.37 0.02 . 1 . . . . 29 ASP H . 18041 1 314 . 1 1 33 33 ASP HA H 1 4.69 0.02 . 1 . . . . 29 ASP HA . 18041 1 315 . 1 1 33 33 ASP HB2 H 1 2.81 0.02 . 2 . . . . 29 ASP HB2 . 18041 1 316 . 1 1 33 33 ASP HB3 H 1 2.51 0.02 . 2 . . . . 29 ASP HB3 . 18041 1 317 . 1 1 33 33 ASP CA C 13 51.66 0.05 . 1 . . . . 29 ASP CA . 18041 1 318 . 1 1 33 33 ASP CB C 13 41.50 0.05 . 1 . . . . 29 ASP CB . 18041 1 319 . 1 1 33 33 ASP N N 15 127.20 0.05 . 1 . . . . 29 ASP N . 18041 1 320 . 1 1 36 36 ASN HD21 H 1 8.23 0.02 . 1 . . . . 32 ASN HD21 . 18041 1 321 . 1 1 36 36 ASN HD22 H 1 6.80 0.02 . 1 . . . . 32 ASN HD22 . 18041 1 322 . 1 1 36 36 ASN C C 13 173.71 0.05 . 1 . . . . 32 ASN C . 18041 1 323 . 1 1 36 36 ASN CA C 13 52.84 0.05 . 1 . . . . 32 ASN CA . 18041 1 324 . 1 1 36 36 ASN CB C 13 39.78 0.05 . 1 . . . . 32 ASN CB . 18041 1 325 . 1 1 36 36 ASN ND2 N 15 116.08 0.05 . 1 . . . . 32 ASN ND2 . 18041 1 326 . 1 1 37 37 SER H H 1 7.83 0.02 . 1 . . . . 33 SER H . 18041 1 327 . 1 1 37 37 SER HA H 1 3.88 0.02 . 1 . . . . 33 SER HA . 18041 1 328 . 1 1 37 37 SER HB2 H 1 4.44 0.02 . 2 . . . . 33 SER HB2 . 18041 1 329 . 1 1 37 37 SER HB3 H 1 4.00 0.02 . 2 . . . . 33 SER HB3 . 18041 1 330 . 1 1 37 37 SER C C 13 173.04 0.05 . 1 . . . . 33 SER C . 18041 1 331 . 1 1 37 37 SER CA C 13 59.47 0.05 . 1 . . . . 33 SER CA . 18041 1 332 . 1 1 37 37 SER CB C 13 61.86 0.05 . 1 . . . . 33 SER CB . 18041 1 333 . 1 1 37 37 SER N N 15 115.51 0.05 . 1 . . . . 33 SER N . 18041 1 334 . 1 1 38 38 ILE H H 1 7.48 0.02 . 1 . . . . 34 ILE H . 18041 1 335 . 1 1 38 38 ILE HA H 1 4.79 0.02 . 1 . . . . 34 ILE HA . 18041 1 336 . 1 1 38 38 ILE HB H 1 1.56 0.02 . 1 . . . . 34 ILE HB . 18041 1 337 . 1 1 38 38 ILE HG12 H 1 1.47 0.02 . 2 . . . . 34 ILE HG12 . 18041 1 338 . 1 1 38 38 ILE HG13 H 1 0.87 0.02 . 2 . . . . 34 ILE HG13 . 18041 1 339 . 1 1 38 38 ILE HG21 H 1 0.75 0.02 . 1 . . . . 34 ILE MG . 18041 1 340 . 1 1 38 38 ILE HG22 H 1 0.75 0.02 . 1 . . . . 34 ILE MG . 18041 1 341 . 1 1 38 38 ILE HG23 H 1 0.75 0.02 . 1 . . . . 34 ILE MG . 18041 1 342 . 1 1 38 38 ILE HD11 H 1 0.75 0.02 . 1 . . . . 34 ILE MD . 18041 1 343 . 1 1 38 38 ILE HD12 H 1 0.75 0.02 . 1 . . . . 34 ILE MD . 18041 1 344 . 1 1 38 38 ILE HD13 H 1 0.75 0.02 . 1 . . . . 34 ILE MD . 18041 1 345 . 1 1 38 38 ILE C C 13 174.50 0.05 . 1 . . . . 34 ILE C . 18041 1 346 . 1 1 38 38 ILE CA C 13 59.60 0.05 . 1 . . . . 34 ILE CA . 18041 1 347 . 1 1 38 38 ILE CB C 13 41.68 0.05 . 1 . . . . 34 ILE CB . 18041 1 348 . 1 1 38 38 ILE CG1 C 13 27.61 0.05 . 1 . . . . 34 ILE CG1 . 18041 1 349 . 1 1 38 38 ILE CG2 C 13 17.89 0.05 . 1 . . . . 34 ILE CG2 . 18041 1 350 . 1 1 38 38 ILE CD1 C 13 12.91 0.05 . 1 . . . . 34 ILE CD1 . 18041 1 351 . 1 1 38 38 ILE N N 15 117.90 0.05 . 1 . . . . 34 ILE N . 18041 1 352 . 1 1 39 39 LEU H H 1 9.44 0.02 . 1 . . . . 35 LEU H . 18041 1 353 . 1 1 39 39 LEU HA H 1 4.99 0.02 . 1 . . . . 35 LEU HA . 18041 1 354 . 1 1 39 39 LEU HB2 H 1 1.45 0.02 . 1 . . . . 35 LEU HB2 . 18041 1 355 . 1 1 39 39 LEU HB3 H 1 1.86 0.02 . 1 . . . . 35 LEU HB3 . 18041 1 356 . 1 1 39 39 LEU HG H 1 1.58 0.02 . 1 . . . . 35 LEU HG . 18041 1 357 . 1 1 39 39 LEU HD11 H 1 0.91 0.02 . 1 . . . . 35 LEU MD1 . 18041 1 358 . 1 1 39 39 LEU HD12 H 1 0.91 0.02 . 1 . . . . 35 LEU MD1 . 18041 1 359 . 1 1 39 39 LEU HD13 H 1 0.91 0.02 . 1 . . . . 35 LEU MD1 . 18041 1 360 . 1 1 39 39 LEU HD21 H 1 0.71 0.02 . 1 . . . . 35 LEU MD2 . 18041 1 361 . 1 1 39 39 LEU HD22 H 1 0.71 0.02 . 1 . . . . 35 LEU MD2 . 18041 1 362 . 1 1 39 39 LEU HD23 H 1 0.71 0.02 . 1 . . . . 35 LEU MD2 . 18041 1 363 . 1 1 39 39 LEU C C 13 174.07 0.05 . 1 . . . . 35 LEU C . 18041 1 364 . 1 1 39 39 LEU CA C 13 53.62 0.05 . 1 . . . . 35 LEU CA . 18041 1 365 . 1 1 39 39 LEU CB C 13 45.68 0.05 . 1 . . . . 35 LEU CB . 18041 1 366 . 1 1 39 39 LEU CG C 13 26.76 0.05 . 1 . . . . 35 LEU CG . 18041 1 367 . 1 1 39 39 LEU CD1 C 13 25.27 0.05 . 1 . . . . 35 LEU CD1 . 18041 1 368 . 1 1 39 39 LEU CD2 C 13 26.44 0.05 . 1 . . . . 35 LEU CD2 . 18041 1 369 . 1 1 39 39 LEU N N 15 130.16 0.05 . 1 . . . . 35 LEU N . 18041 1 370 . 1 1 40 40 GLN H H 1 8.72 0.02 . 1 . . . . 36 GLN H . 18041 1 371 . 1 1 40 40 GLN HA H 1 5.19 0.02 . 1 . . . . 36 GLN HA . 18041 1 372 . 1 1 40 40 GLN HB2 H 1 1.89 0.02 . 1 . . . . 36 GLN HB2 . 18041 1 373 . 1 1 40 40 GLN HB3 H 1 1.82 0.02 . 1 . . . . 36 GLN HB3 . 18041 1 374 . 1 1 40 40 GLN HG2 H 1 2.22 0.02 . 2 . . . . 36 GLN HG2 . 18041 1 375 . 1 1 40 40 GLN HG3 H 1 2.10 0.02 . 2 . . . . 36 GLN HG3 . 18041 1 376 . 1 1 40 40 GLN HE21 H 1 7.15 0.02 . 1 . . . . 36 GLN HE21 . 18041 1 377 . 1 1 40 40 GLN HE22 H 1 6.77 0.02 . 1 . . . . 36 GLN HE22 . 18041 1 378 . 1 1 40 40 GLN C C 13 174.00 0.05 . 1 . . . . 36 GLN C . 18041 1 379 . 1 1 40 40 GLN CA C 13 54.87 0.05 . 1 . . . . 36 GLN CA . 18041 1 380 . 1 1 40 40 GLN CB C 13 31.27 0.05 . 1 . . . . 36 GLN CB . 18041 1 381 . 1 1 40 40 GLN CG C 13 34.51 0.05 . 1 . . . . 36 GLN CG . 18041 1 382 . 1 1 40 40 GLN N N 15 124.26 0.05 . 1 . . . . 36 GLN N . 18041 1 383 . 1 1 40 40 GLN NE2 N 15 111.42 0.05 . 1 . . . . 36 GLN NE2 . 18041 1 384 . 1 1 41 41 LEU H H 1 8.87 0.02 . 1 . . . . 37 LEU H . 18041 1 385 . 1 1 41 41 LEU HA H 1 5.17 0.02 . 1 . . . . 37 LEU HA . 18041 1 386 . 1 1 41 41 LEU HB2 H 1 1.29 0.02 . 1 . . . . 37 LEU HB2 . 18041 1 387 . 1 1 41 41 LEU HB3 H 1 1.29 0.02 . 1 . . . . 37 LEU HB3 . 18041 1 388 . 1 1 41 41 LEU HG H 1 1.30 0.02 . 1 . . . . 37 LEU HG . 18041 1 389 . 1 1 41 41 LEU HD11 H 1 0.49 0.02 . 1 . . . . 37 LEU MD1 . 18041 1 390 . 1 1 41 41 LEU HD12 H 1 0.49 0.02 . 1 . . . . 37 LEU MD1 . 18041 1 391 . 1 1 41 41 LEU HD13 H 1 0.49 0.02 . 1 . . . . 37 LEU MD1 . 18041 1 392 . 1 1 41 41 LEU HD21 H 1 0.49 0.02 . 1 . . . . 37 LEU MD2 . 18041 1 393 . 1 1 41 41 LEU HD22 H 1 0.49 0.02 . 1 . . . . 37 LEU MD2 . 18041 1 394 . 1 1 41 41 LEU HD23 H 1 0.49 0.02 . 1 . . . . 37 LEU MD2 . 18041 1 395 . 1 1 41 41 LEU C C 13 175.60 0.05 . 1 . . . . 37 LEU C . 18041 1 396 . 1 1 41 41 LEU CA C 13 52.45 0.05 . 1 . . . . 37 LEU CA . 18041 1 397 . 1 1 41 41 LEU CB C 13 46.54 0.05 . 1 . . . . 37 LEU CB . 18041 1 398 . 1 1 41 41 LEU CG C 13 27.41 0.05 . 1 . . . . 37 LEU CG . 18041 1 399 . 1 1 41 41 LEU CD1 C 13 25.28 0.05 . 1 . . . . 37 LEU CD1 . 18041 1 400 . 1 1 41 41 LEU CD2 C 13 25.28 0.05 . 1 . . . . 37 LEU CD2 . 18041 1 401 . 1 1 41 41 LEU N N 15 124.12 0.05 . 1 . . . . 37 LEU N . 18041 1 402 . 1 1 42 42 ARG H H 1 9.46 0.02 . 1 . . . . 38 ARG H . 18041 1 403 . 1 1 42 42 ARG HA H 1 4.88 0.02 . 1 . . . . 38 ARG HA . 18041 1 404 . 1 1 42 42 ARG HB2 H 1 1.80 0.02 . 2 . . . . 38 ARG HB2 . 18041 1 405 . 1 1 42 42 ARG HB3 H 1 1.70 0.02 . 2 . . . . 38 ARG HB3 . 18041 1 406 . 1 1 42 42 ARG HG2 H 1 1.70 0.02 . 2 . . . . 38 ARG HG2 . 18041 1 407 . 1 1 42 42 ARG HG3 H 1 1.58 0.02 . 2 . . . . 38 ARG HG3 . 18041 1 408 . 1 1 42 42 ARG HD2 H 1 3.22 0.02 . 2 . . . . 38 ARG HD2 . 18041 1 409 . 1 1 42 42 ARG HD3 H 1 3.17 0.02 . 2 . . . . 38 ARG HD3 . 18041 1 410 . 1 1 42 42 ARG C C 13 176.62 0.05 . 1 . . . . 38 ARG C . 18041 1 411 . 1 1 42 42 ARG CA C 13 55.21 0.05 . 1 . . . . 38 ARG CA . 18041 1 412 . 1 1 42 42 ARG CB C 13 31.31 0.05 . 1 . . . . 38 ARG CB . 18041 1 413 . 1 1 42 42 ARG CG C 13 27.30 0.05 . 1 . . . . 38 ARG CG . 18041 1 414 . 1 1 42 42 ARG CD C 13 43.31 0.05 . 1 . . . . 38 ARG CD . 18041 1 415 . 1 1 42 42 ARG N N 15 124.43 0.05 . 1 . . . . 38 ARG N . 18041 1 416 . 1 1 43 43 LEU H H 1 9.00 0.02 . 1 . . . . 39 LEU H . 18041 1 417 . 1 1 43 43 LEU HA H 1 4.71 0.02 . 1 . . . . 39 LEU HA . 18041 1 418 . 1 1 43 43 LEU HB2 H 1 1.83 0.02 . 2 . . . . 39 LEU HB2 . 18041 1 419 . 1 1 43 43 LEU HB3 H 1 1.74 0.02 . 2 . . . . 39 LEU HB3 . 18041 1 420 . 1 1 43 43 LEU HG H 1 1.61 0.02 . 1 . . . . 39 LEU HG . 18041 1 421 . 1 1 43 43 LEU HD11 H 1 0.86 0.02 . 2 . . . . 39 LEU MD1 . 18041 1 422 . 1 1 43 43 LEU HD12 H 1 0.86 0.02 . 2 . . . . 39 LEU MD1 . 18041 1 423 . 1 1 43 43 LEU HD13 H 1 0.86 0.02 . 2 . . . . 39 LEU MD1 . 18041 1 424 . 1 1 43 43 LEU HD21 H 1 0.87 0.02 . 2 . . . . 39 LEU MD2 . 18041 1 425 . 1 1 43 43 LEU HD22 H 1 0.87 0.02 . 2 . . . . 39 LEU MD2 . 18041 1 426 . 1 1 43 43 LEU HD23 H 1 0.87 0.02 . 2 . . . . 39 LEU MD2 . 18041 1 427 . 1 1 43 43 LEU C C 13 178.56 0.05 . 1 . . . . 39 LEU C . 18041 1 428 . 1 1 43 43 LEU CA C 13 54.85 0.05 . 1 . . . . 39 LEU CA . 18041 1 429 . 1 1 43 43 LEU CB C 13 42.29 0.05 . 1 . . . . 39 LEU CB . 18041 1 430 . 1 1 43 43 LEU CG C 13 27.64 0.05 . 1 . . . . 39 LEU CG . 18041 1 431 . 1 1 43 43 LEU CD1 C 13 23.45 0.05 . 2 . . . . 39 LEU CD1 . 18041 1 432 . 1 1 43 43 LEU CD2 C 13 25.65 0.05 . 2 . . . . 39 LEU CD2 . 18041 1 433 . 1 1 43 43 LEU N N 15 128.99 0.05 . 1 . . . . 39 LEU N . 18041 1 434 . 1 1 44 44 ALA H H 1 8.68 0.02 . 1 . . . . 40 ALA H . 18041 1 435 . 1 1 44 44 ALA HA H 1 4.17 0.02 . 1 . . . . 40 ALA HA . 18041 1 436 . 1 1 44 44 ALA HB1 H 1 1.47 0.02 . 1 . . . . 40 ALA MB . 18041 1 437 . 1 1 44 44 ALA HB2 H 1 1.47 0.02 . 1 . . . . 40 ALA MB . 18041 1 438 . 1 1 44 44 ALA HB3 H 1 1.47 0.02 . 1 . . . . 40 ALA MB . 18041 1 439 . 1 1 44 44 ALA C C 13 177.69 0.05 . 1 . . . . 40 ALA C . 18041 1 440 . 1 1 44 44 ALA CA C 13 54.69 0.05 . 1 . . . . 40 ALA CA . 18041 1 441 . 1 1 44 44 ALA CB C 13 18.56 0.05 . 1 . . . . 40 ALA CB . 18041 1 442 . 1 1 44 44 ALA N N 15 122.60 0.05 . 1 . . . . 40 ALA N . 18041 1 443 . 1 1 45 45 ASN H H 1 7.65 0.02 . 1 . . . . 41 ASN H . 18041 1 444 . 1 1 45 45 ASN C C 13 175.39 0.05 . 1 . . . . 41 ASN C . 18041 1 445 . 1 1 45 45 ASN CA C 13 52.34 0.05 . 1 . . . . 41 ASN CA . 18041 1 446 . 1 1 45 45 ASN CB C 13 36.91 0.05 . 1 . . . . 41 ASN CB . 18041 1 447 . 1 1 45 45 ASN N N 15 113.62 0.05 . 1 . . . . 41 ASN N . 18041 1 448 . 1 1 46 46 ASP H H 1 8.32 0.02 . 1 . . . . 42 ASP H . 18041 1 449 . 1 1 46 46 ASP HA H 1 4.32 0.02 . 1 . . . . 42 ASP HA . 18041 1 450 . 1 1 46 46 ASP HB3 H 1 2.94 0.02 . 2 . . . . 42 ASP HB3 . 18041 1 451 . 1 1 46 46 ASP C C 13 175.22 0.05 . 1 . . . . 42 ASP C . 18041 1 452 . 1 1 46 46 ASP CA C 13 56.83 0.05 . 1 . . . . 42 ASP CA . 18041 1 453 . 1 1 46 46 ASP CB C 13 39.30 0.05 . 1 . . . . 42 ASP CB . 18041 1 454 . 1 1 46 46 ASP N N 15 114.01 0.05 . 1 . . . . 42 ASP N . 18041 1 455 . 1 1 47 47 SER H H 1 7.66 0.02 . 1 . . . . 43 SER H . 18041 1 456 . 1 1 47 47 SER HA H 1 4.59 0.02 . 1 . . . . 43 SER HA . 18041 1 457 . 1 1 47 47 SER HB2 H 1 3.98 0.02 . 1 . . . . 43 SER HB2 . 18041 1 458 . 1 1 47 47 SER HB3 H 1 3.87 0.02 . 1 . . . . 43 SER HB3 . 18041 1 459 . 1 1 47 47 SER C C 13 172.14 0.05 . 1 . . . . 43 SER C . 18041 1 460 . 1 1 47 47 SER CA C 13 58.44 0.05 . 1 . . . . 43 SER CA . 18041 1 461 . 1 1 47 47 SER CB C 13 64.80 0.05 . 1 . . . . 43 SER CB . 18041 1 462 . 1 1 47 47 SER N N 15 114.70 0.05 . 1 . . . . 43 SER N . 18041 1 463 . 1 1 48 48 THR H H 1 8.41 0.02 . 1 . . . . 44 THR H . 18041 1 464 . 1 1 48 48 THR HA H 1 5.31 0.02 . 1 . . . . 44 THR HA . 18041 1 465 . 1 1 48 48 THR HB H 1 3.97 0.02 . 1 . . . . 44 THR HB . 18041 1 466 . 1 1 48 48 THR HG21 H 1 1.05 0.02 . 1 . . . . 44 THR MG . 18041 1 467 . 1 1 48 48 THR HG22 H 1 1.05 0.02 . 1 . . . . 44 THR MG . 18041 1 468 . 1 1 48 48 THR HG23 H 1 1.05 0.02 . 1 . . . . 44 THR MG . 18041 1 469 . 1 1 48 48 THR C C 13 174.19 0.05 . 1 . . . . 44 THR C . 18041 1 470 . 1 1 48 48 THR CA C 13 61.05 0.05 . 1 . . . . 44 THR CA . 18041 1 471 . 1 1 48 48 THR CB C 13 71.09 0.05 . 1 . . . . 44 THR CB . 18041 1 472 . 1 1 48 48 THR CG2 C 13 21.54 0.05 . 1 . . . . 44 THR CG2 . 18041 1 473 . 1 1 48 48 THR N N 15 114.20 0.05 . 1 . . . . 44 THR N . 18041 1 474 . 1 1 49 49 LYS H H 1 9.14 0.02 . 1 . . . . 45 LYS H . 18041 1 475 . 1 1 49 49 LYS HA H 1 4.66 0.02 . 1 . . . . 45 LYS HA . 18041 1 476 . 1 1 49 49 LYS HB2 H 1 1.64 0.02 . 1 . . . . 45 LYS HB2 . 18041 1 477 . 1 1 49 49 LYS HB3 H 1 1.64 0.02 . 1 . . . . 45 LYS HB3 . 18041 1 478 . 1 1 49 49 LYS HG2 H 1 1.4 0.02 . 2 . . . . 45 LYS HG2 . 18041 1 479 . 1 1 49 49 LYS HG3 H 1 1.2 0.02 . 2 . . . . 45 LYS HG3 . 18041 1 480 . 1 1 49 49 LYS HD2 H 1 1.57 0.02 . 1 . . . . 45 LYS HD2 . 18041 1 481 . 1 1 49 49 LYS HD3 H 1 1.57 0.02 . 1 . . . . 45 LYS HD3 . 18041 1 482 . 1 1 49 49 LYS HE2 H 1 3.0 0.02 . 1 . . . . 45 LYS HE2 . 18041 1 483 . 1 1 49 49 LYS HE3 H 1 3.0 0.02 . 1 . . . . 45 LYS HE3 . 18041 1 484 . 1 1 49 49 LYS C C 13 174.46 0.05 . 1 . . . . 45 LYS C . 18041 1 485 . 1 1 49 49 LYS CA C 13 54.77 0.05 . 1 . . . . 45 LYS CA . 18041 1 486 . 1 1 49 49 LYS CB C 13 36.64 0.05 . 1 . . . . 45 LYS CB . 18041 1 487 . 1 1 49 49 LYS CG C 13 24.95 0.05 . 1 . . . . 45 LYS CG . 18041 1 488 . 1 1 49 49 LYS CD C 13 29.51 0.05 . 1 . . . . 45 LYS CD . 18041 1 489 . 1 1 49 49 LYS CE C 13 42.03 0.05 . 1 . . . . 45 LYS CE . 18041 1 490 . 1 1 49 49 LYS N N 15 126.64 0.05 . 1 . . . . 45 LYS N . 18041 1 491 . 1 1 50 50 SER H H 1 8.74 0.02 . 1 . . . . 46 SER H . 18041 1 492 . 1 1 50 50 SER HA H 1 5.13 0.02 . 1 . . . . 46 SER HA . 18041 1 493 . 1 1 50 50 SER HB2 H 1 3.65 0.02 . 1 . . . . 46 SER HB2 . 18041 1 494 . 1 1 50 50 SER HB3 H 1 3.75 0.02 . 1 . . . . 46 SER HB3 . 18041 1 495 . 1 1 50 50 SER C C 13 173.57 0.05 . 1 . . . . 46 SER C . 18041 1 496 . 1 1 50 50 SER CA C 13 57.88 0.05 . 1 . . . . 46 SER CA . 18041 1 497 . 1 1 50 50 SER CB C 13 63.88 0.05 . 1 . . . . 46 SER CB . 18041 1 498 . 1 1 50 50 SER N N 15 122.64 0.05 . 1 . . . . 46 SER N . 18041 1 499 . 1 1 51 51 ILE H H 1 9.31 0.02 . 1 . . . . 47 ILE H . 18041 1 500 . 1 1 51 51 ILE HA H 1 4.35 0.02 . 1 . . . . 47 ILE HA . 18041 1 501 . 1 1 51 51 ILE HB H 1 1.67 0.02 . 1 . . . . 47 ILE HB . 18041 1 502 . 1 1 51 51 ILE HG12 H 1 1.37 0.02 . 2 . . . . 47 ILE HG12 . 18041 1 503 . 1 1 51 51 ILE HG13 H 1 0.99 0.02 . 2 . . . . 47 ILE HG13 . 18041 1 504 . 1 1 51 51 ILE HG21 H 1 0.79 0.02 . 1 . . . . 47 ILE MG . 18041 1 505 . 1 1 51 51 ILE HG22 H 1 0.79 0.02 . 1 . . . . 47 ILE MG . 18041 1 506 . 1 1 51 51 ILE HG23 H 1 0.79 0.02 . 1 . . . . 47 ILE MG . 18041 1 507 . 1 1 51 51 ILE HD11 H 1 0.66 0.02 . 1 . . . . 47 ILE MD . 18041 1 508 . 1 1 51 51 ILE HD12 H 1 0.66 0.02 . 1 . . . . 47 ILE MD . 18041 1 509 . 1 1 51 51 ILE HD13 H 1 0.66 0.02 . 1 . . . . 47 ILE MD . 18041 1 510 . 1 1 51 51 ILE C C 13 174.86 0.05 . 1 . . . . 47 ILE C . 18041 1 511 . 1 1 51 51 ILE CA C 13 59.72 0.05 . 1 . . . . 47 ILE CA . 18041 1 512 . 1 1 51 51 ILE CB C 13 41.91 0.05 . 1 . . . . 47 ILE CB . 18041 1 513 . 1 1 51 51 ILE CG1 C 13 27.32 0.05 . 1 . . . . 47 ILE CG1 . 18041 1 514 . 1 1 51 51 ILE CG2 C 13 18.05 0.05 . 1 . . . . 47 ILE CG2 . 18041 1 515 . 1 1 51 51 ILE CD1 C 13 14.05 0.05 . 1 . . . . 47 ILE CD1 . 18041 1 516 . 1 1 51 51 ILE N N 15 126.59 0.05 . 1 . . . . 47 ILE N . 18041 1 517 . 1 1 52 52 VAL H H 1 8.95 0.02 . 1 . . . . 48 VAL H . 18041 1 518 . 1 1 52 52 VAL HA H 1 4.63 0.02 . 1 . . . . 48 VAL HA . 18041 1 519 . 1 1 52 52 VAL HB H 1 2.21 0.02 . 1 . . . . 48 VAL HB . 18041 1 520 . 1 1 52 52 VAL HG11 H 1 1.09 0.02 . 1 . . . . 48 VAL MG1 . 18041 1 521 . 1 1 52 52 VAL HG12 H 1 1.09 0.02 . 1 . . . . 48 VAL MG1 . 18041 1 522 . 1 1 52 52 VAL HG13 H 1 1.09 0.02 . 1 . . . . 48 VAL MG1 . 18041 1 523 . 1 1 52 52 VAL HG21 H 1 1.04 0.02 . 1 . . . . 48 VAL MG2 . 18041 1 524 . 1 1 52 52 VAL HG22 H 1 1.04 0.02 . 1 . . . . 48 VAL MG2 . 18041 1 525 . 1 1 52 52 VAL HG23 H 1 1.04 0.02 . 1 . . . . 48 VAL MG2 . 18041 1 526 . 1 1 52 52 VAL C C 13 179.17 0.05 . 1 . . . . 48 VAL C . 18041 1 527 . 1 1 52 52 VAL CA C 13 61.83 0.05 . 1 . . . . 48 VAL CA . 18041 1 528 . 1 1 52 52 VAL CB C 13 31.31 0.05 . 1 . . . . 48 VAL CB . 18041 1 529 . 1 1 52 52 VAL CG1 C 13 22.17 0.05 . 1 . . . . 48 VAL CG1 . 18041 1 530 . 1 1 52 52 VAL CG2 C 13 21.36 0.05 . 1 . . . . 48 VAL CG2 . 18041 1 531 . 1 1 52 52 VAL N N 15 128.15 0.05 . 1 . . . . 48 VAL N . 18041 1 532 . 1 1 53 53 THR H H 1 8.74 0.02 . 1 . . . . 49 THR H . 18041 1 533 . 1 1 53 53 THR HA H 1 3.72 0.02 . 1 . . . . 49 THR HA . 18041 1 534 . 1 1 53 53 THR HB H 1 4.31 0.02 . 1 . . . . 49 THR HB . 18041 1 535 . 1 1 53 53 THR HG21 H 1 1.23 0.02 . 1 . . . . 49 THR MG . 18041 1 536 . 1 1 53 53 THR HG22 H 1 1.23 0.02 . 1 . . . . 49 THR MG . 18041 1 537 . 1 1 53 53 THR HG23 H 1 1.23 0.02 . 1 . . . . 49 THR MG . 18041 1 538 . 1 1 53 53 THR C C 13 177.51 0.05 . 1 . . . . 49 THR C . 18041 1 539 . 1 1 53 53 THR CA C 13 66.29 0.05 . 1 . . . . 49 THR CA . 18041 1 540 . 1 1 53 53 THR CB C 13 67.50 0.05 . 1 . . . . 49 THR CB . 18041 1 541 . 1 1 53 53 THR CG2 C 13 22.91 0.05 . 1 . . . . 49 THR CG2 . 18041 1 542 . 1 1 53 53 THR N N 15 118.58 0.05 . 1 . . . . 49 THR N . 18041 1 543 . 1 1 54 54 LYS H H 1 7.56 0.02 . 1 . . . . 50 LYS H . 18041 1 544 . 1 1 54 54 LYS HA H 1 4.28 0.02 . 1 . . . . 50 LYS HA . 18041 1 545 . 1 1 54 54 LYS HB2 H 1 1.85 0.02 . 1 . . . . 50 LYS HB2 . 18041 1 546 . 1 1 54 54 LYS HB3 H 1 1.85 0.02 . 1 . . . . 50 LYS HB3 . 18041 1 547 . 1 1 54 54 LYS HG2 H 1 1.43 0.02 . 1 . . . . 50 LYS HG2 . 18041 1 548 . 1 1 54 54 LYS HG3 H 1 1.43 0.02 . 1 . . . . 50 LYS HG3 . 18041 1 549 . 1 1 54 54 LYS HD2 H 1 1.6 0.02 . 1 . . . . 50 LYS HD2 . 18041 1 550 . 1 1 54 54 LYS HD3 H 1 1.6 0.02 . 1 . . . . 50 LYS HD3 . 18041 1 551 . 1 1 54 54 LYS HE2 H 1 3.0 0.02 . 1 . . . . 50 LYS HE2 . 18041 1 552 . 1 1 54 54 LYS HE3 H 1 3.0 0.02 . 1 . . . . 50 LYS HE3 . 18041 1 553 . 1 1 54 54 LYS C C 13 176.18 0.05 . 1 . . . . 50 LYS C . 18041 1 554 . 1 1 54 54 LYS CA C 13 57.98 0.05 . 1 . . . . 50 LYS CA . 18041 1 555 . 1 1 54 54 LYS CB C 13 31.76 0.05 . 1 . . . . 50 LYS CB . 18041 1 556 . 1 1 54 54 LYS CG C 13 24.43 0.05 . 1 . . . . 50 LYS CG . 18041 1 557 . 1 1 54 54 LYS CD C 13 29.26 0.05 . 1 . . . . 50 LYS CD . 18041 1 558 . 1 1 54 54 LYS CE C 13 41.79 0.05 . 1 . . . . 50 LYS CE . 18041 1 559 . 1 1 54 54 LYS N N 15 119.68 0.05 . 1 . . . . 50 LYS N . 18041 1 560 . 1 1 55 55 ASP H H 1 7.91 0.02 . 1 . . . . 51 ASP H . 18041 1 561 . 1 1 55 55 ASP HA H 1 4.80 0.02 . 1 . . . . 51 ASP HA . 18041 1 562 . 1 1 55 55 ASP HB2 H 1 2.95 0.02 . 1 . . . . 51 ASP HB2 . 18041 1 563 . 1 1 55 55 ASP HB3 H 1 2.73 0.02 . 1 . . . . 51 ASP HB3 . 18041 1 564 . 1 1 55 55 ASP C C 13 175.15 0.05 . 1 . . . . 51 ASP C . 18041 1 565 . 1 1 55 55 ASP CA C 13 54.67 0.05 . 1 . . . . 51 ASP CA . 18041 1 566 . 1 1 55 55 ASP CB C 13 41.19 0.05 . 1 . . . . 51 ASP CB . 18041 1 567 . 1 1 55 55 ASP N N 15 118.39 0.05 . 1 . . . . 51 ASP N . 18041 1 568 . 1 1 56 56 ILE H H 1 7.46 0.02 . 1 . . . . 52 ILE H . 18041 1 569 . 1 1 56 56 ILE HA H 1 3.73 0.02 . 1 . . . . 52 ILE HA . 18041 1 570 . 1 1 56 56 ILE HB H 1 1.93 0.02 . 1 . . . . 52 ILE HB . 18041 1 571 . 1 1 56 56 ILE HG12 H 1 1.72 0.02 . 2 . . . . 52 ILE HG12 . 18041 1 572 . 1 1 56 56 ILE HG13 H 1 0.56 0.02 . 2 . . . . 52 ILE HG13 . 18041 1 573 . 1 1 56 56 ILE HG21 H 1 0.67 0.02 . 1 . . . . 52 ILE MG . 18041 1 574 . 1 1 56 56 ILE HG22 H 1 0.67 0.02 . 1 . . . . 52 ILE MG . 18041 1 575 . 1 1 56 56 ILE HG23 H 1 0.67 0.02 . 1 . . . . 52 ILE MG . 18041 1 576 . 1 1 56 56 ILE HD11 H 1 0.69 0.02 . 1 . . . . 52 ILE MD . 18041 1 577 . 1 1 56 56 ILE HD12 H 1 0.69 0.02 . 1 . . . . 52 ILE MD . 18041 1 578 . 1 1 56 56 ILE HD13 H 1 0.69 0.02 . 1 . . . . 52 ILE MD . 18041 1 579 . 1 1 56 56 ILE C C 13 174.72 0.05 . 1 . . . . 52 ILE C . 18041 1 580 . 1 1 56 56 ILE CA C 13 63.50 0.05 . 1 . . . . 52 ILE CA . 18041 1 581 . 1 1 56 56 ILE CB C 13 38.62 0.05 . 1 . . . . 52 ILE CB . 18041 1 582 . 1 1 56 56 ILE CG1 C 13 27.88 0.05 . 1 . . . . 52 ILE CG1 . 18041 1 583 . 1 1 56 56 ILE CG2 C 13 17.39 0.05 . 1 . . . . 52 ILE CG2 . 18041 1 584 . 1 1 56 56 ILE CD1 C 13 14.15 0.05 . 1 . . . . 52 ILE CD1 . 18041 1 585 . 1 1 56 56 ILE N N 15 119.41 0.05 . 1 . . . . 52 ILE N . 18041 1 586 . 1 1 57 57 LYS H H 1 9.32 0.02 . 1 . . . . 53 LYS H . 18041 1 587 . 1 1 57 57 LYS HA H 1 4.37 0.02 . 1 . . . . 53 LYS HA . 18041 1 588 . 1 1 57 57 LYS HB2 H 1 1.59 0.02 . 1 . . . . 53 LYS HB2 . 18041 1 589 . 1 1 57 57 LYS HB3 H 1 1.53 0.02 . 1 . . . . 53 LYS HB3 . 18041 1 590 . 1 1 57 57 LYS HG2 H 1 1.4 0.02 . 1 . . . . 53 LYS HG2 . 18041 1 591 . 1 1 57 57 LYS HG3 H 1 1.4 0.02 . 1 . . . . 53 LYS HG3 . 18041 1 592 . 1 1 57 57 LYS HD2 H 1 1.72 0.02 . 2 . . . . 53 LYS HD2 . 18041 1 593 . 1 1 57 57 LYS HD3 H 1 1.68 0.02 . 2 . . . . 53 LYS HD3 . 18041 1 594 . 1 1 57 57 LYS HE2 H 1 3.01 0.02 . 1 . . . . 53 LYS HE2 . 18041 1 595 . 1 1 57 57 LYS HE3 H 1 3.01 0.02 . 1 . . . . 53 LYS HE3 . 18041 1 596 . 1 1 57 57 LYS C C 13 176.03 0.05 . 1 . . . . 53 LYS C . 18041 1 597 . 1 1 57 57 LYS CA C 13 57.39 0.05 . 1 . . . . 53 LYS CA . 18041 1 598 . 1 1 57 57 LYS CB C 13 33.99 0.05 . 1 . . . . 53 LYS CB . 18041 1 599 . 1 1 57 57 LYS CG C 13 25.01 0.05 . 1 . . . . 53 LYS CG . 18041 1 600 . 1 1 57 57 LYS CD C 13 29.86 0.05 . 1 . . . . 53 LYS CD . 18041 1 601 . 1 1 57 57 LYS CE C 13 41.65 0.05 . 1 . . . . 53 LYS CE . 18041 1 602 . 1 1 57 57 LYS N N 15 129.84 0.05 . 1 . . . . 53 LYS N . 18041 1 603 . 1 1 58 58 ASP H H 1 8.10 0.02 . 1 . . . . 54 ASP H . 18041 1 604 . 1 1 58 58 ASP HA H 1 4.76 0.02 . 1 . . . . 54 ASP HA . 18041 1 605 . 1 1 58 58 ASP HB2 H 1 2.62 0.02 . 2 . . . . 54 ASP HB2 . 18041 1 606 . 1 1 58 58 ASP HB3 H 1 2.50 0.02 . 2 . . . . 54 ASP HB3 . 18041 1 607 . 1 1 58 58 ASP C C 13 172.82 0.05 . 1 . . . . 54 ASP C . 18041 1 608 . 1 1 58 58 ASP CA C 13 53.93 0.05 . 1 . . . . 54 ASP CA . 18041 1 609 . 1 1 58 58 ASP CB C 13 45.02 0.05 . 1 . . . . 54 ASP CB . 18041 1 610 . 1 1 58 58 ASP N N 15 116.89 0.05 . 1 . . . . 54 ASP N . 18041 1 611 . 1 1 59 59 LEU H H 1 8.29 0.02 . 1 . . . . 55 LEU H . 18041 1 612 . 1 1 59 59 LEU HA H 1 4.89 0.02 . 1 . . . . 55 LEU HA . 18041 1 613 . 1 1 59 59 LEU HB2 H 1 1.45 0.02 . 2 . . . . 55 LEU HB2 . 18041 1 614 . 1 1 59 59 LEU HB3 H 1 1.28 0.02 . 2 . . . . 55 LEU HB3 . 18041 1 615 . 1 1 59 59 LEU HG H 1 1.28 0.02 . 1 . . . . 55 LEU HG . 18041 1 616 . 1 1 59 59 LEU HD11 H 1 0.51 0.02 . 2 . . . . 55 LEU MD1 . 18041 1 617 . 1 1 59 59 LEU HD12 H 1 0.51 0.02 . 2 . . . . 55 LEU MD1 . 18041 1 618 . 1 1 59 59 LEU HD13 H 1 0.51 0.02 . 2 . . . . 55 LEU MD1 . 18041 1 619 . 1 1 59 59 LEU HD21 H 1 0.60 0.02 . 2 . . . . 55 LEU MD2 . 18041 1 620 . 1 1 59 59 LEU HD22 H 1 0.60 0.02 . 2 . . . . 55 LEU MD2 . 18041 1 621 . 1 1 59 59 LEU HD23 H 1 0.60 0.02 . 2 . . . . 55 LEU MD2 . 18041 1 622 . 1 1 59 59 LEU C C 13 173.88 0.05 . 1 . . . . 55 LEU C . 18041 1 623 . 1 1 59 59 LEU CA C 13 54.97 0.05 . 1 . . . . 55 LEU CA . 18041 1 624 . 1 1 59 59 LEU CB C 13 45.36 0.05 . 1 . . . . 55 LEU CB . 18041 1 625 . 1 1 59 59 LEU CG C 13 27.50 0.05 . 1 . . . . 55 LEU CG . 18041 1 626 . 1 1 59 59 LEU CD1 C 13 25.35 0.05 . 2 . . . . 55 LEU CD1 . 18041 1 627 . 1 1 59 59 LEU CD2 C 13 26.09 0.05 . 2 . . . . 55 LEU CD2 . 18041 1 628 . 1 1 59 59 LEU N N 15 124.27 0.05 . 1 . . . . 55 LEU N . 18041 1 629 . 1 1 60 60 ARG H H 1 8.68 0.02 . 1 . . . . 56 ARG H . 18041 1 630 . 1 1 60 60 ARG HA H 1 4.74 0.02 . 1 . . . . 56 ARG HA . 18041 1 631 . 1 1 60 60 ARG HB2 H 1 1.76 0.02 . 1 . . . . 56 ARG HB2 . 18041 1 632 . 1 1 60 60 ARG HB3 H 1 1.76 0.02 . 1 . . . . 56 ARG HB3 . 18041 1 633 . 1 1 60 60 ARG HG2 H 1 1.61 0.02 . 1 . . . . 56 ARG HG2 . 18041 1 634 . 1 1 60 60 ARG HG3 H 1 1.61 0.02 . 1 . . . . 56 ARG HG3 . 18041 1 635 . 1 1 60 60 ARG HD2 H 1 3.15 0.02 . 2 . . . . 56 ARG HD2 . 18041 1 636 . 1 1 60 60 ARG HD3 H 1 3.06 0.02 . 2 . . . . 56 ARG HD3 . 18041 1 637 . 1 1 60 60 ARG C C 13 174.32 0.05 . 1 . . . . 56 ARG C . 18041 1 638 . 1 1 60 60 ARG CA C 13 54.16 0.05 . 1 . . . . 56 ARG CA . 18041 1 639 . 1 1 60 60 ARG CB C 13 33.02 0.05 . 1 . . . . 56 ARG CB . 18041 1 640 . 1 1 60 60 ARG CG C 13 27.24 0.05 . 1 . . . . 56 ARG CG . 18041 1 641 . 1 1 60 60 ARG CD C 13 43.58 0.05 . 1 . . . . 56 ARG CD . 18041 1 642 . 1 1 60 60 ARG N N 15 123.54 0.05 . 1 . . . . 56 ARG N . 18041 1 643 . 1 1 61 61 ILE H H 1 8.60 0.02 . 1 . . . . 57 ILE H . 18041 1 644 . 1 1 61 61 ILE HA H 1 4.23 0.02 . 1 . . . . 57 ILE HA . 18041 1 645 . 1 1 61 61 ILE HB H 1 1.75 0.02 . 1 . . . . 57 ILE HB . 18041 1 646 . 1 1 61 61 ILE HG12 H 1 1.36 0.02 . 2 . . . . 57 ILE HG12 . 18041 1 647 . 1 1 61 61 ILE HG13 H 1 1.08 0.02 . 2 . . . . 57 ILE HG13 . 18041 1 648 . 1 1 61 61 ILE HG21 H 1 0.94 0.02 . 1 . . . . 57 ILE MG . 18041 1 649 . 1 1 61 61 ILE HG22 H 1 0.94 0.02 . 1 . . . . 57 ILE MG . 18041 1 650 . 1 1 61 61 ILE HG23 H 1 0.94 0.02 . 1 . . . . 57 ILE MG . 18041 1 651 . 1 1 61 61 ILE HD11 H 1 0.57 0.02 . 1 . . . . 57 ILE MD . 18041 1 652 . 1 1 61 61 ILE HD12 H 1 0.57 0.02 . 1 . . . . 57 ILE MD . 18041 1 653 . 1 1 61 61 ILE HD13 H 1 0.57 0.02 . 1 . . . . 57 ILE MD . 18041 1 654 . 1 1 61 61 ILE C C 13 175.99 0.05 . 1 . . . . 57 ILE C . 18041 1 655 . 1 1 61 61 ILE CA C 13 60.84 0.05 . 1 . . . . 57 ILE CA . 18041 1 656 . 1 1 61 61 ILE CB C 13 37.39 0.05 . 1 . . . . 57 ILE CB . 18041 1 657 . 1 1 61 61 ILE CG1 C 13 27.96 0.05 . 1 . . . . 57 ILE CG1 . 18041 1 658 . 1 1 61 61 ILE CG2 C 13 17.62 0.05 . 1 . . . . 57 ILE CG2 . 18041 1 659 . 1 1 61 61 ILE CD1 C 13 12.10 0.05 . 1 . . . . 57 ILE CD1 . 18041 1 660 . 1 1 61 61 ILE N N 15 124.42 0.05 . 1 . . . . 57 ILE N . 18041 1 661 . 1 1 62 62 LEU H H 1 8.51 0.02 . 1 . . . . 58 LEU H . 18041 1 662 . 1 1 62 62 LEU HA H 1 4.62 0.02 . 1 . . . . 58 LEU HA . 18041 1 663 . 1 1 62 62 LEU HB2 H 1 1.42 0.02 . 1 . . . . 58 LEU HB2 . 18041 1 664 . 1 1 62 62 LEU HB3 H 1 1.42 0.02 . 1 . . . . 58 LEU HB3 . 18041 1 665 . 1 1 62 62 LEU HG H 1 1.50 0.02 . 1 . . . . 58 LEU HG . 18041 1 666 . 1 1 62 62 LEU HD11 H 1 0.76 0.02 . 2 . . . . 58 LEU MD1 . 18041 1 667 . 1 1 62 62 LEU HD12 H 1 0.76 0.02 . 2 . . . . 58 LEU MD1 . 18041 1 668 . 1 1 62 62 LEU HD13 H 1 0.76 0.02 . 2 . . . . 58 LEU MD1 . 18041 1 669 . 1 1 62 62 LEU HD21 H 1 0.73 0.02 . 2 . . . . 58 LEU MD2 . 18041 1 670 . 1 1 62 62 LEU HD22 H 1 0.73 0.02 . 2 . . . . 58 LEU MD2 . 18041 1 671 . 1 1 62 62 LEU HD23 H 1 0.73 0.02 . 2 . . . . 58 LEU MD2 . 18041 1 672 . 1 1 62 62 LEU CA C 13 52.45 0.05 . 1 . . . . 58 LEU CA . 18041 1 673 . 1 1 62 62 LEU CB C 13 41.42 0.05 . 1 . . . . 58 LEU CB . 18041 1 674 . 1 1 62 62 LEU CG C 13 27.20 0.05 . 1 . . . . 58 LEU CG . 18041 1 675 . 1 1 62 62 LEU CD1 C 13 22.87 0.05 . 2 . . . . 58 LEU CD1 . 18041 1 676 . 1 1 62 62 LEU CD2 C 13 25.43 0.05 . 2 . . . . 58 LEU CD2 . 18041 1 677 . 1 1 62 62 LEU N N 15 129.80 0.05 . 1 . . . . 58 LEU N . 18041 1 678 . 1 1 63 63 PRO HD3 H 1 3.57 0.02 . 2 . . . . 59 PRO HD3 . 18041 1 679 . 1 1 63 63 PRO CD C 13 50.40 0.05 . 1 . . . . 59 PRO CD . 18041 1 680 . 1 1 64 64 LYS HE3 H 1 3.08 0.02 . 2 . . . . 60 LYS HE3 . 18041 1 681 . 1 1 65 65 ASN C C 13 174.94 0.05 . 1 . . . . 61 ASN C . 18041 1 682 . 1 1 65 65 ASN CA C 13 53.42 0.05 . 1 . . . . 61 ASN CA . 18041 1 683 . 1 1 65 65 ASN CB C 13 38.85 0.05 . 1 . . . . 61 ASN CB . 18041 1 684 . 1 1 66 66 GLU H H 1 8.15 0.02 . 1 . . . . 62 GLU H . 18041 1 685 . 1 1 66 66 GLU HA H 1 4.22 0.02 . 1 . . . . 62 GLU HA . 18041 1 686 . 1 1 66 66 GLU HB2 H 1 1.96 0.02 . 1 . . . . 62 GLU HB2 . 18041 1 687 . 1 1 66 66 GLU HB3 H 1 1.96 0.02 . 1 . . . . 62 GLU HB3 . 18041 1 688 . 1 1 66 66 GLU HG2 H 1 2.10 0.02 . 2 . . . . 62 GLU HG2 . 18041 1 689 . 1 1 66 66 GLU HG3 H 1 1.94 0.02 . 2 . . . . 62 GLU HG3 . 18041 1 690 . 1 1 66 66 GLU C C 13 175.95 0.05 . 1 . . . . 62 GLU C . 18041 1 691 . 1 1 66 66 GLU CA C 13 56.61 0.05 . 1 . . . . 62 GLU CA . 18041 1 692 . 1 1 66 66 GLU CB C 13 30.38 0.05 . 1 . . . . 62 GLU CB . 18041 1 693 . 1 1 66 66 GLU CG C 13 36.43 0.05 . 1 . . . . 62 GLU CG . 18041 1 694 . 1 1 66 66 GLU N N 15 120.83 0.05 . 1 . . . . 62 GLU N . 18041 1 695 . 1 1 67 67 ILE H H 1 7.98 0.02 . 1 . . . . 63 ILE H . 18041 1 696 . 1 1 67 67 ILE HA H 1 4.12 0.02 . 1 . . . . 63 ILE HA . 18041 1 697 . 1 1 67 67 ILE HB H 1 1.85 0.02 . 1 . . . . 63 ILE HB . 18041 1 698 . 1 1 67 67 ILE HG12 H 1 1.46 0.02 . 2 . . . . 63 ILE HG12 . 18041 1 699 . 1 1 67 67 ILE HG13 H 1 1.16 0.02 . 2 . . . . 63 ILE HG13 . 18041 1 700 . 1 1 67 67 ILE HG21 H 1 0.88 0.02 . 1 . . . . 63 ILE MG . 18041 1 701 . 1 1 67 67 ILE HG22 H 1 0.88 0.02 . 1 . . . . 63 ILE MG . 18041 1 702 . 1 1 67 67 ILE HG23 H 1 0.88 0.02 . 1 . . . . 63 ILE MG . 18041 1 703 . 1 1 67 67 ILE HD11 H 1 0.84 0.02 . 1 . . . . 63 ILE MD . 18041 1 704 . 1 1 67 67 ILE HD12 H 1 0.84 0.02 . 1 . . . . 63 ILE MD . 18041 1 705 . 1 1 67 67 ILE HD13 H 1 0.84 0.02 . 1 . . . . 63 ILE MD . 18041 1 706 . 1 1 67 67 ILE C C 13 175.86 0.05 . 1 . . . . 63 ILE C . 18041 1 707 . 1 1 67 67 ILE CA C 13 61.05 0.05 . 1 . . . . 63 ILE CA . 18041 1 708 . 1 1 67 67 ILE CB C 13 38.42 0.05 . 1 . . . . 63 ILE CB . 18041 1 709 . 1 1 67 67 ILE CG1 C 13 27.29 0.05 . 1 . . . . 63 ILE CG1 . 18041 1 710 . 1 1 67 67 ILE CG2 C 13 17.59 0.05 . 1 . . . . 63 ILE CG2 . 18041 1 711 . 1 1 67 67 ILE CD1 C 13 12.87 0.05 . 1 . . . . 63 ILE CD1 . 18041 1 712 . 1 1 67 67 ILE N N 15 121.32 0.05 . 1 . . . . 63 ILE N . 18041 1 713 . 1 1 68 68 MET H H 1 8.29 0.02 . 1 . . . . 64 MET H . 18041 1 714 . 1 1 68 68 MET HA H 1 4.79 0.02 . 1 . . . . 64 MET HA . 18041 1 715 . 1 1 68 68 MET HB2 H 1 2.04 0.02 . 2 . . . . 64 MET HB2 . 18041 1 716 . 1 1 68 68 MET HB3 H 1 1.96 0.02 . 2 . . . . 64 MET HB3 . 18041 1 717 . 1 1 68 68 MET HG2 H 1 2.64 0.02 . 2 . . . . 64 MET HG2 . 18041 1 718 . 1 1 68 68 MET HG3 H 1 2.55 0.02 . 2 . . . . 64 MET HG3 . 18041 1 719 . 1 1 68 68 MET CA C 13 53.02 0.05 . 1 . . . . 64 MET CA . 18041 1 720 . 1 1 68 68 MET CB C 13 32.39 0.05 . 1 . . . . 64 MET CB . 18041 1 721 . 1 1 68 68 MET CG C 13 31.88 0.05 . 1 . . . . 64 MET CG . 18041 1 722 . 1 1 68 68 MET N N 15 125.31 0.05 . 1 . . . . 64 MET N . 18041 1 723 . 1 1 82 82 LYS HA H 1 4.3 0.02 . 1 . . . . 78 LYS HA . 18041 1 724 . 1 1 82 82 LYS HB3 H 1 1.8 0.02 . 2 . . . . 78 LYS HB3 . 18041 1 725 . 1 1 82 82 LYS HG3 H 1 1.4 0.02 . 2 . . . . 78 LYS HG3 . 18041 1 726 . 1 1 82 82 LYS HD3 H 1 1.6 0.02 . 2 . . . . 78 LYS HD3 . 18041 1 727 . 1 1 82 82 LYS HE3 H 1 2.9 0.02 . 2 . . . . 78 LYS HE3 . 18041 1 728 . 1 1 82 82 LYS CA C 13 56.43 0.05 . 1 . . . . 78 LYS CA . 18041 1 729 . 1 1 82 82 LYS CB C 13 32.76 0.05 . 1 . . . . 78 LYS CB . 18041 1 730 . 1 1 82 82 LYS CG C 13 24.81 0.05 . 1 . . . . 78 LYS CG . 18041 1 731 . 1 1 82 82 LYS CD C 13 29.22 0.05 . 1 . . . . 78 LYS CD . 18041 1 732 . 1 1 82 82 LYS CE C 13 42.15 0.05 . 1 . . . . 78 LYS CE . 18041 1 733 . 1 1 83 83 LEU H H 1 8.11 0.02 . 1 . . . . 79 LEU H . 18041 1 734 . 1 1 83 83 LEU HA H 1 4.28 0.02 . 1 . . . . 79 LEU HA . 18041 1 735 . 1 1 83 83 LEU HB2 H 1 1.63 0.02 . 2 . . . . 79 LEU HB2 . 18041 1 736 . 1 1 83 83 LEU HB3 H 1 1.55 0.02 . 2 . . . . 79 LEU HB3 . 18041 1 737 . 1 1 83 83 LEU HG H 1 1.59 0.02 . 1 . . . . 79 LEU HG . 18041 1 738 . 1 1 83 83 LEU HD11 H 1 0.85 0.02 . 2 . . . . 79 LEU MD1 . 18041 1 739 . 1 1 83 83 LEU HD12 H 1 0.85 0.02 . 2 . . . . 79 LEU MD1 . 18041 1 740 . 1 1 83 83 LEU HD13 H 1 0.85 0.02 . 2 . . . . 79 LEU MD1 . 18041 1 741 . 1 1 83 83 LEU HD21 H 1 0.90 0.02 . 2 . . . . 79 LEU MD2 . 18041 1 742 . 1 1 83 83 LEU HD22 H 1 0.90 0.02 . 2 . . . . 79 LEU MD2 . 18041 1 743 . 1 1 83 83 LEU HD23 H 1 0.90 0.02 . 2 . . . . 79 LEU MD2 . 18041 1 744 . 1 1 83 83 LEU C C 13 177.30 0.05 . 1 . . . . 79 LEU C . 18041 1 745 . 1 1 83 83 LEU CA C 13 55.25 0.05 . 1 . . . . 79 LEU CA . 18041 1 746 . 1 1 83 83 LEU CB C 13 42.35 0.05 . 1 . . . . 79 LEU CB . 18041 1 747 . 1 1 83 83 LEU CG C 13 27.00 0.05 . 1 . . . . 79 LEU CG . 18041 1 748 . 1 1 83 83 LEU CD1 C 13 23.55 0.05 . 2 . . . . 79 LEU CD1 . 18041 1 749 . 1 1 83 83 LEU CD2 C 13 25.11 0.05 . 2 . . . . 79 LEU CD2 . 18041 1 750 . 1 1 83 83 LEU N N 15 123.00 0.05 . 1 . . . . 79 LEU N . 18041 1 751 . 1 1 84 84 LYS H H 1 8.27 0.02 . 1 . . . . 80 LYS H . 18041 1 752 . 1 1 84 84 LYS HA H 1 4.27 0.02 . 1 . . . . 80 LYS HA . 18041 1 753 . 1 1 84 84 LYS HB2 H 1 1.83 0.02 . 2 . . . . 80 LYS HB2 . 18041 1 754 . 1 1 84 84 LYS HB3 H 1 1.75 0.02 . 2 . . . . 80 LYS HB3 . 18041 1 755 . 1 1 84 84 LYS CA C 13 56.56 0.05 . 1 . . . . 80 LYS CA . 18041 1 756 . 1 1 84 84 LYS N N 15 122.19 0.05 . 1 . . . . 80 LYS N . 18041 1 757 . 1 1 85 85 SER HA H 1 4.33 0.02 . 1 . . . . 81 SER HA . 18041 1 758 . 1 1 85 85 SER HB3 H 1 3.88 0.02 . 2 . . . . 81 SER HB3 . 18041 1 759 . 1 1 85 85 SER C C 13 175.25 0.05 . 1 . . . . 81 SER C . 18041 1 760 . 1 1 85 85 SER CA C 13 61.20 0.05 . 1 . . . . 81 SER CA . 18041 1 761 . 1 1 85 85 SER CB C 13 62.92 0.05 . 1 . . . . 81 SER CB . 18041 1 762 . 1 1 86 86 ALA H H 1 7.45 0.02 . 1 . . . . 82 ALA H . 18041 1 763 . 1 1 86 86 ALA HA H 1 4.75 0.02 . 1 . . . . 82 ALA HA . 18041 1 764 . 1 1 86 86 ALA HB1 H 1 1.39 0.02 . 1 . . . . 82 ALA MB . 18041 1 765 . 1 1 86 86 ALA HB2 H 1 1.39 0.02 . 1 . . . . 82 ALA MB . 18041 1 766 . 1 1 86 86 ALA HB3 H 1 1.39 0.02 . 1 . . . . 82 ALA MB . 18041 1 767 . 1 1 86 86 ALA C C 13 177.79 0.05 . 1 . . . . 82 ALA C . 18041 1 768 . 1 1 86 86 ALA CA C 13 52.89 0.05 . 1 . . . . 82 ALA CA . 18041 1 769 . 1 1 86 86 ALA CB C 13 19.21 0.05 . 1 . . . . 82 ALA CB . 18041 1 770 . 1 1 86 86 ALA N N 15 116.69 0.05 . 1 . . . . 82 ALA N . 18041 1 771 . 1 1 87 87 GLU H H 1 8.30 0.02 . 1 . . . . 83 GLU H . 18041 1 772 . 1 1 87 87 GLU HA H 1 4.26 0.02 . 1 . . . . 83 GLU HA . 18041 1 773 . 1 1 87 87 GLU HB2 H 1 1.97 0.02 . 2 . . . . 83 GLU HB2 . 18041 1 774 . 1 1 87 87 GLU HB3 H 1 1.90 0.02 . 2 . . . . 83 GLU HB3 . 18041 1 775 . 1 1 87 87 GLU HG3 H 1 2.21 0.02 . 2 . . . . 83 GLU HG3 . 18041 1 776 . 1 1 87 87 GLU C C 13 176.67 0.05 . 1 . . . . 83 GLU C . 18041 1 777 . 1 1 87 87 GLU CA C 13 56.83 0.05 . 1 . . . . 83 GLU CA . 18041 1 778 . 1 1 87 87 GLU CB C 13 30.22 0.05 . 1 . . . . 83 GLU CB . 18041 1 779 . 1 1 87 87 GLU CG C 13 36.36 0.05 . 1 . . . . 83 GLU CG . 18041 1 780 . 1 1 87 87 GLU N N 15 119.44 0.05 . 1 . . . . 83 GLU N . 18041 1 781 . 1 1 88 88 THR H H 1 8.01 0.02 . 1 . . . . 84 THR H . 18041 1 782 . 1 1 88 88 THR HA H 1 4.28 0.02 . 1 . . . . 84 THR HA . 18041 1 783 . 1 1 88 88 THR HB H 1 4.16 0.02 . 1 . . . . 84 THR HB . 18041 1 784 . 1 1 88 88 THR HG21 H 1 1.21 0.02 . 1 . . . . 84 THR MG . 18041 1 785 . 1 1 88 88 THR HG22 H 1 1.21 0.02 . 1 . . . . 84 THR MG . 18041 1 786 . 1 1 88 88 THR HG23 H 1 1.21 0.02 . 1 . . . . 84 THR MG . 18041 1 787 . 1 1 88 88 THR CA C 13 61.95 0.05 . 1 . . . . 84 THR CA . 18041 1 788 . 1 1 88 88 THR CB C 13 69.88 0.05 . 1 . . . . 84 THR CB . 18041 1 789 . 1 1 88 88 THR CG2 C 13 21.74 0.05 . 1 . . . . 84 THR CG2 . 18041 1 790 . 1 1 88 88 THR N N 15 114.20 0.05 . 1 . . . . 84 THR N . 18041 1 791 . 1 1 94 94 LYS HA H 1 4.3 0.02 . 1 . . . . 90 LYS HA . 18041 1 792 . 1 1 94 94 LYS HB3 H 1 1.8 0.02 . 2 . . . . 90 LYS HB3 . 18041 1 793 . 1 1 94 94 LYS HG3 H 1 1.4 0.02 . 2 . . . . 90 LYS HG3 . 18041 1 794 . 1 1 94 94 LYS HD3 H 1 1.6 0.02 . 2 . . . . 90 LYS HD3 . 18041 1 795 . 1 1 94 94 LYS HE3 H 1 2.9 0.02 . 2 . . . . 90 LYS HE3 . 18041 1 796 . 1 1 94 94 LYS C C 13 176.03 0.05 . 1 . . . . 90 LYS C . 18041 1 797 . 1 1 94 94 LYS CA C 13 56.82 0.05 . 1 . . . . 90 LYS CA . 18041 1 798 . 1 1 94 94 LYS CB C 13 32.86 0.05 . 1 . . . . 90 LYS CB . 18041 1 799 . 1 1 94 94 LYS CG C 13 24.47 0.05 . 1 . . . . 90 LYS CG . 18041 1 800 . 1 1 94 94 LYS CD C 13 29.10 0.05 . 1 . . . . 90 LYS CD . 18041 1 801 . 1 1 94 94 LYS CE C 13 42.25 0.05 . 1 . . . . 90 LYS CE . 18041 1 802 . 1 1 95 95 TRP H H 1 8.04 0.02 . 1 . . . . 91 TRP H . 18041 1 803 . 1 1 95 95 TRP HA H 1 4.63 0.02 . 1 . . . . 91 TRP HA . 18041 1 804 . 1 1 95 95 TRP HB2 H 1 3.32 0.02 . 2 . . . . 91 TRP HB2 . 18041 1 805 . 1 1 95 95 TRP HB3 H 1 3.20 0.02 . 2 . . . . 91 TRP HB3 . 18041 1 806 . 1 1 95 95 TRP HD1 H 1 7.20 0.02 . 1 . . . . 91 TRP HD1 . 18041 1 807 . 1 1 95 95 TRP HE1 H 1 10.11 0.02 . 1 . . . . 91 TRP HE1 . 18041 1 808 . 1 1 95 95 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 91 TRP HZ2 . 18041 1 809 . 1 1 95 95 TRP C C 13 176.02 0.05 . 1 . . . . 91 TRP C . 18041 1 810 . 1 1 95 95 TRP CA C 13 57.21 0.05 . 1 . . . . 91 TRP CA . 18041 1 811 . 1 1 95 95 TRP CB C 13 29.62 0.05 . 1 . . . . 91 TRP CB . 18041 1 812 . 1 1 95 95 TRP N N 15 120.86 0.05 . 1 . . . . 91 TRP N . 18041 1 813 . 1 1 96 96 SER H H 1 7.91 0.02 . 1 . . . . 92 SER H . 18041 1 814 . 1 1 96 96 SER CA C 13 58.10 0.05 . 1 . . . . 92 SER CA . 18041 1 815 . 1 1 96 96 SER N N 15 116.54 0.05 . 1 . . . . 92 SER N . 18041 1 816 . 1 1 98 98 ASP HA H 1 4.3 0.02 . 1 . . . . 94 ASP HA . 18041 1 817 . 1 1 98 98 ASP C C 13 176.25 0.05 . 1 . . . . 94 ASP C . 18041 1 818 . 1 1 98 98 ASP CA C 13 54.73 0.05 . 1 . . . . 94 ASP CA . 18041 1 819 . 1 1 98 98 ASP CB C 13 41.39 0.05 . 1 . . . . 94 ASP CB . 18041 1 820 . 1 1 99 99 CYS H H 1 8.30 0.02 . 1 . . . . 95 CYS H . 18041 1 821 . 1 1 99 99 CYS C C 13 176.34 0.05 . 1 . . . . 95 CYS C . 18041 1 822 . 1 1 99 99 CYS CA C 13 56.05 0.05 . 1 . . . . 95 CYS CA . 18041 1 823 . 1 1 99 99 CYS CB C 13 30.26 0.05 . 1 . . . . 95 CYS CB . 18041 1 824 . 1 1 99 99 CYS N N 15 118.53 0.05 . 1 . . . . 95 CYS N . 18041 1 825 . 1 1 100 100 ASP H H 1 8.30 0.02 . 1 . . . . 96 ASP H . 18041 1 826 . 1 1 100 100 ASP HA H 1 4.2 0.02 . 1 . . . . 96 ASP HA . 18041 1 827 . 1 1 100 100 ASP HB3 H 1 2.98 0.02 . 2 . . . . 96 ASP HB3 . 18041 1 828 . 1 1 100 100 ASP C C 13 174.39 0.05 . 1 . . . . 96 ASP C . 18041 1 829 . 1 1 100 100 ASP CA C 13 56.74 0.05 . 1 . . . . 96 ASP CA . 18041 1 830 . 1 1 100 100 ASP CB C 13 41.36 0.05 . 1 . . . . 96 ASP CB . 18041 1 831 . 1 1 100 100 ASP N N 15 121.14 0.05 . 1 . . . . 96 ASP N . 18041 1 832 . 1 1 101 101 GLU H H 1 8.30 0.02 . 1 . . . . 97 GLU H . 18041 1 833 . 1 1 101 101 GLU HA H 1 4.6 0.02 . 1 . . . . 97 GLU HA . 18041 1 834 . 1 1 101 101 GLU C C 13 176.16 0.05 . 1 . . . . 97 GLU C . 18041 1 835 . 1 1 101 101 GLU CA C 13 54.67 0.05 . 1 . . . . 97 GLU CA . 18041 1 836 . 1 1 101 101 GLU CB C 13 35.84 0.05 . 1 . . . . 97 GLU CB . 18041 1 837 . 1 1 101 101 GLU N N 15 121.19 0.05 . 1 . . . . 97 GLU N . 18041 1 838 . 1 1 102 102 GLU H H 1 8.24 0.02 . 1 . . . . 98 GLU H . 18041 1 839 . 1 1 102 102 GLU HB3 H 1 1.95 0.02 . 2 . . . . 98 GLU HB3 . 18041 1 840 . 1 1 102 102 GLU C C 13 176.12 0.05 . 1 . . . . 98 GLU C . 18041 1 841 . 1 1 102 102 GLU CA C 13 56.74 0.05 . 1 . . . . 98 GLU CA . 18041 1 842 . 1 1 102 102 GLU CB C 13 30.30 0.05 . 1 . . . . 98 GLU CB . 18041 1 843 . 1 1 102 102 GLU N N 15 120.88 0.05 . 1 . . . . 98 GLU N . 18041 1 844 . 1 1 103 103 PHE H H 1 8.11 0.02 . 1 . . . . 99 PHE H . 18041 1 845 . 1 1 103 103 PHE HA H 1 4.43 0.02 . 1 . . . . 99 PHE HA . 18041 1 846 . 1 1 103 103 PHE HB2 H 1 2.95 0.02 . 2 . . . . 99 PHE HB2 . 18041 1 847 . 1 1 103 103 PHE HB3 H 1 2.85 0.02 . 2 . . . . 99 PHE HB3 . 18041 1 848 . 1 1 103 103 PHE HD1 H 1 7.03 0.02 . 1 . . . . 99 PHE HD1 . 18041 1 849 . 1 1 103 103 PHE HD2 H 1 7.03 0.02 . 1 . . . . 99 PHE HD2 . 18041 1 850 . 1 1 103 103 PHE HE1 H 1 6.74 0.02 . 1 . . . . 99 PHE HE1 . 18041 1 851 . 1 1 103 103 PHE HE2 H 1 6.74 0.02 . 1 . . . . 99 PHE HE2 . 18041 1 852 . 1 1 103 103 PHE C C 13 175.01 0.05 . 1 . . . . 99 PHE C . 18041 1 853 . 1 1 103 103 PHE CA C 13 57.97 0.05 . 1 . . . . 99 PHE CA . 18041 1 854 . 1 1 103 103 PHE CB C 13 39.84 0.05 . 1 . . . . 99 PHE CB . 18041 1 855 . 1 1 103 103 PHE N N 15 121.26 0.05 . 1 . . . . 99 PHE N . 18041 1 856 . 1 1 104 104 ASP H H 1 8.07 0.02 . 1 . . . . 100 ASP H . 18041 1 857 . 1 1 104 104 ASP HA H 1 4.54 0.02 . 1 . . . . 100 ASP HA . 18041 1 858 . 1 1 104 104 ASP HB2 H 1 2.58 0.02 . 2 . . . . 100 ASP HB2 . 18041 1 859 . 1 1 104 104 ASP HB3 H 1 2.47 0.02 . 2 . . . . 100 ASP HB3 . 18041 1 860 . 1 1 104 104 ASP C C 13 176.01 0.05 . 1 . . . . 100 ASP C . 18041 1 861 . 1 1 104 104 ASP CA C 13 53.73 0.05 . 1 . . . . 100 ASP CA . 18041 1 862 . 1 1 104 104 ASP CB C 13 41.06 0.05 . 1 . . . . 100 ASP CB . 18041 1 863 . 1 1 104 104 ASP N N 15 122.78 0.05 . 1 . . . . 100 ASP N . 18041 1 864 . 1 1 105 105 PHE H H 1 8.08 0.02 . 1 . . . . 101 PHE H . 18041 1 865 . 1 1 105 105 PHE HA H 1 4.33 0.02 . 1 . . . . 101 PHE HA . 18041 1 866 . 1 1 105 105 PHE HB2 H 1 3.07 0.02 . 1 . . . . 101 PHE HB2 . 18041 1 867 . 1 1 105 105 PHE HB3 H 1 3.07 0.02 . 1 . . . . 101 PHE HB3 . 18041 1 868 . 1 1 105 105 PHE HD1 H 1 7.20 0.02 . 1 . . . . 101 PHE HD1 . 18041 1 869 . 1 1 105 105 PHE HD2 H 1 7.20 0.02 . 1 . . . . 101 PHE HD2 . 18041 1 870 . 1 1 105 105 PHE C C 13 176.22 0.05 . 1 . . . . 101 PHE C . 18041 1 871 . 1 1 105 105 PHE CA C 13 59.19 0.05 . 1 . . . . 101 PHE CA . 18041 1 872 . 1 1 105 105 PHE CB C 13 39.21 0.05 . 1 . . . . 101 PHE CB . 18041 1 873 . 1 1 105 105 PHE N N 15 122.11 0.05 . 1 . . . . 101 PHE N . 18041 1 874 . 1 1 106 106 ALA H H 1 8.10 0.02 . 1 . . . . 102 ALA H . 18041 1 875 . 1 1 106 106 ALA HA H 1 4.14 0.02 . 1 . . . . 102 ALA HA . 18041 1 876 . 1 1 106 106 ALA HB1 H 1 1.33 0.02 . 1 . . . . 102 ALA MB . 18041 1 877 . 1 1 106 106 ALA HB2 H 1 1.33 0.02 . 1 . . . . 102 ALA MB . 18041 1 878 . 1 1 106 106 ALA HB3 H 1 1.33 0.02 . 1 . . . . 102 ALA MB . 18041 1 879 . 1 1 106 106 ALA C C 13 178.10 0.05 . 1 . . . . 102 ALA C . 18041 1 880 . 1 1 106 106 ALA CA C 13 53.33 0.05 . 1 . . . . 102 ALA CA . 18041 1 881 . 1 1 106 106 ALA CB C 13 18.71 0.05 . 1 . . . . 102 ALA CB . 18041 1 882 . 1 1 106 106 ALA N N 15 123.06 0.05 . 1 . . . . 102 ALA N . 18041 1 883 . 1 1 107 107 ALA H H 1 7.82 0.02 . 1 . . . . 103 ALA H . 18041 1 884 . 1 1 107 107 ALA HA H 1 4.16 0.02 . 1 . . . . 103 ALA HA . 18041 1 885 . 1 1 107 107 ALA HB1 H 1 1.31 0.02 . 1 . . . . 103 ALA MB . 18041 1 886 . 1 1 107 107 ALA HB2 H 1 1.31 0.02 . 1 . . . . 103 ALA MB . 18041 1 887 . 1 1 107 107 ALA HB3 H 1 1.31 0.02 . 1 . . . . 103 ALA MB . 18041 1 888 . 1 1 107 107 ALA C C 13 178.11 0.05 . 1 . . . . 103 ALA C . 18041 1 889 . 1 1 107 107 ALA CA C 13 53.19 0.05 . 1 . . . . 103 ALA CA . 18041 1 890 . 1 1 107 107 ALA CB C 13 18.91 0.05 . 1 . . . . 103 ALA CB . 18041 1 891 . 1 1 107 107 ALA N N 15 121.34 0.05 . 1 . . . . 103 ALA N . 18041 1 892 . 1 1 108 108 ASN H H 1 8.02 0.02 . 1 . . . . 104 ASN H . 18041 1 893 . 1 1 108 108 ASN HA H 1 4.60 0.02 . 1 . . . . 104 ASN HA . 18041 1 894 . 1 1 108 108 ASN HB2 H 1 2.84 0.02 . 2 . . . . 104 ASN HB2 . 18041 1 895 . 1 1 108 108 ASN HB3 H 1 2.71 0.02 . 2 . . . . 104 ASN HB3 . 18041 1 896 . 1 1 108 108 ASN C C 13 175.46 0.05 . 1 . . . . 104 ASN C . 18041 1 897 . 1 1 108 108 ASN CA C 13 53.79 0.05 . 1 . . . . 104 ASN CA . 18041 1 898 . 1 1 108 108 ASN CB C 13 38.98 0.05 . 1 . . . . 104 ASN CB . 18041 1 899 . 1 1 108 108 ASN N N 15 116.36 0.05 . 1 . . . . 104 ASN N . 18041 1 900 . 1 1 109 109 LEU H H 1 7.91 0.02 . 1 . . . . 105 LEU H . 18041 1 901 . 1 1 109 109 LEU HA H 1 4.21 0.02 . 1 . . . . 105 LEU HA . 18041 1 902 . 1 1 109 109 LEU HB2 H 1 1.55 0.02 . 1 . . . . 105 LEU HB2 . 18041 1 903 . 1 1 109 109 LEU HB3 H 1 1.55 0.02 . 1 . . . . 105 LEU HB3 . 18041 1 904 . 1 1 109 109 LEU HG H 1 1.59 0.02 . 1 . . . . 105 LEU HG . 18041 1 905 . 1 1 109 109 LEU HD11 H 1 0.79 0.02 . 2 . . . . 105 LEU MD1 . 18041 1 906 . 1 1 109 109 LEU HD12 H 1 0.79 0.02 . 2 . . . . 105 LEU MD1 . 18041 1 907 . 1 1 109 109 LEU HD13 H 1 0.79 0.02 . 2 . . . . 105 LEU MD1 . 18041 1 908 . 1 1 109 109 LEU HD21 H 1 0.86 0.02 . 2 . . . . 105 LEU MD2 . 18041 1 909 . 1 1 109 109 LEU HD22 H 1 0.86 0.02 . 2 . . . . 105 LEU MD2 . 18041 1 910 . 1 1 109 109 LEU HD23 H 1 0.86 0.02 . 2 . . . . 105 LEU MD2 . 18041 1 911 . 1 1 109 109 LEU C C 13 177.69 0.05 . 1 . . . . 105 LEU C . 18041 1 912 . 1 1 109 109 LEU CA C 13 55.97 0.05 . 1 . . . . 105 LEU CA . 18041 1 913 . 1 1 109 109 LEU CB C 13 42.09 0.05 . 1 . . . . 105 LEU CB . 18041 1 914 . 1 1 109 109 LEU CG C 13 27.03 0.05 . 1 . . . . 105 LEU CG . 18041 1 915 . 1 1 109 109 LEU CD1 C 13 23.52 0.05 . 2 . . . . 105 LEU CD1 . 18041 1 916 . 1 1 109 109 LEU CD2 C 13 25.14 0.05 . 2 . . . . 105 LEU CD2 . 18041 1 917 . 1 1 109 109 LEU N N 15 121.37 0.05 . 1 . . . . 105 LEU N . 18041 1 918 . 1 1 110 110 GLU H H 1 8.15 0.02 . 1 . . . . 106 GLU H . 18041 1 919 . 1 1 110 110 GLU HA H 1 4.17 0.02 . 1 . . . . 106 GLU HA . 18041 1 920 . 1 1 110 110 GLU HB2 H 1 1.98 0.02 . 2 . . . . 106 GLU HB2 . 18041 1 921 . 1 1 110 110 GLU HB3 H 1 1.89 0.02 . 2 . . . . 106 GLU HB3 . 18041 1 922 . 1 1 110 110 GLU HG3 H 1 2.2 0.02 . 2 . . . . 106 GLU HG3 . 18041 1 923 . 1 1 110 110 GLU C C 13 176.61 0.05 . 1 . . . . 106 GLU C . 18041 1 924 . 1 1 110 110 GLU CA C 13 57.19 0.05 . 1 . . . . 106 GLU CA . 18041 1 925 . 1 1 110 110 GLU CB C 13 29.81 0.05 . 1 . . . . 106 GLU CB . 18041 1 926 . 1 1 110 110 GLU CG C 13 36.28 0.05 . 1 . . . . 106 GLU CG . 18041 1 927 . 1 1 110 110 GLU N N 15 119.94 0.05 . 1 . . . . 106 GLU N . 18041 1 928 . 1 1 111 111 LYS H H 1 7.91 0.02 . 1 . . . . 107 LYS H . 18041 1 929 . 1 1 111 111 LYS HA H 1 4.16 0.02 . 1 . . . . 107 LYS HA . 18041 1 930 . 1 1 111 111 LYS HB2 H 1 1.64 0.02 . 1 . . . . 107 LYS HB2 . 18041 1 931 . 1 1 111 111 LYS HB3 H 1 1.64 0.02 . 1 . . . . 107 LYS HB3 . 18041 1 932 . 1 1 111 111 LYS HG3 H 1 1.45 0.02 . 2 . . . . 107 LYS HG3 . 18041 1 933 . 1 1 111 111 LYS HD3 H 1 1.65 0.02 . 2 . . . . 107 LYS HD3 . 18041 1 934 . 1 1 111 111 LYS HE3 H 1 3.0 0.02 . 2 . . . . 107 LYS HE3 . 18041 1 935 . 1 1 111 111 LYS C C 13 176.34 0.05 . 1 . . . . 107 LYS C . 18041 1 936 . 1 1 111 111 LYS CA C 13 56.58 0.05 . 1 . . . . 107 LYS CA . 18041 1 937 . 1 1 111 111 LYS CB C 13 32.75 0.05 . 1 . . . . 107 LYS CB . 18041 1 938 . 1 1 111 111 LYS CG C 13 24.75 0.05 . 1 . . . . 107 LYS CG . 18041 1 939 . 1 1 111 111 LYS CD C 13 29.35 0.05 . 1 . . . . 107 LYS CD . 18041 1 940 . 1 1 111 111 LYS CE C 13 42.07 0.05 . 1 . . . . 107 LYS CE . 18041 1 941 . 1 1 111 111 LYS N N 15 120.08 0.05 . 1 . . . . 107 LYS N . 18041 1 942 . 1 1 112 112 PHE H H 1 7.98 0.02 . 1 . . . . 108 PHE H . 18041 1 943 . 1 1 112 112 PHE HA H 1 4.58 0.02 . 1 . . . . 108 PHE HA . 18041 1 944 . 1 1 112 112 PHE HB2 H 1 3.14 0.02 . 1 . . . . 108 PHE HB2 . 18041 1 945 . 1 1 112 112 PHE HB3 H 1 3.14 0.02 . 1 . . . . 108 PHE HB3 . 18041 1 946 . 1 1 112 112 PHE HD1 H 1 7.19 0.02 . 1 . . . . 108 PHE HD1 . 18041 1 947 . 1 1 112 112 PHE HD2 H 1 7.19 0.02 . 1 . . . . 108 PHE HD2 . 18041 1 948 . 1 1 112 112 PHE C C 13 175.23 0.05 . 1 . . . . 108 PHE C . 18041 1 949 . 1 1 112 112 PHE CA C 13 57.80 0.05 . 1 . . . . 108 PHE CA . 18041 1 950 . 1 1 112 112 PHE CB C 13 39.59 0.05 . 1 . . . . 108 PHE CB . 18041 1 951 . 1 1 112 112 PHE N N 15 120.02 0.05 . 1 . . . . 108 PHE N . 18041 1 952 . 1 1 113 113 ASP H H 1 8.17 0.02 . 1 . . . . 109 ASP H . 18041 1 953 . 1 1 113 113 ASP C C 13 176.14 0.05 . 1 . . . . 109 ASP C . 18041 1 954 . 1 1 113 113 ASP CA C 13 54.17 0.05 . 1 . . . . 109 ASP CA . 18041 1 955 . 1 1 113 113 ASP CB C 13 41.38 0.05 . 1 . . . . 109 ASP CB . 18041 1 956 . 1 1 113 113 ASP N N 15 121.89 0.05 . 1 . . . . 109 ASP N . 18041 1 957 . 1 1 114 114 LYS H H 1 8.16 0.02 . 1 . . . . 110 LYS H . 18041 1 958 . 1 1 114 114 LYS HG3 H 1 1.4 0.02 . 2 . . . . 110 LYS HG3 . 18041 1 959 . 1 1 114 114 LYS HD3 H 1 1.6 0.02 . 2 . . . . 110 LYS HD3 . 18041 1 960 . 1 1 114 114 LYS HE3 H 1 3.0 0.02 . 2 . . . . 110 LYS HE3 . 18041 1 961 . 1 1 114 114 LYS C C 13 176.65 0.05 . 1 . . . . 110 LYS C . 18041 1 962 . 1 1 114 114 LYS CA C 13 56.89 0.05 . 1 . . . . 110 LYS CA . 18041 1 963 . 1 1 114 114 LYS CB C 13 32.59 0.05 . 1 . . . . 110 LYS CB . 18041 1 964 . 1 1 114 114 LYS CG C 13 24.91 0.05 . 1 . . . . 110 LYS CG . 18041 1 965 . 1 1 114 114 LYS CD C 13 29.30 0.05 . 1 . . . . 110 LYS CD . 18041 1 966 . 1 1 114 114 LYS CE C 13 41.54 0.05 . 1 . . . . 110 LYS CE . 18041 1 967 . 1 1 114 114 LYS N N 15 121.97 0.05 . 1 . . . . 110 LYS N . 18041 1 968 . 1 1 115 115 LYS H H 1 8.22 0.02 . 1 . . . . 111 LYS H . 18041 1 969 . 1 1 115 115 LYS HA H 1 4.23 0.02 . 1 . . . . 111 LYS HA . 18041 1 970 . 1 1 115 115 LYS HB2 H 1 1.81 0.02 . 1 . . . . 111 LYS HB2 . 18041 1 971 . 1 1 115 115 LYS HB3 H 1 1.81 0.02 . 1 . . . . 111 LYS HB3 . 18041 1 972 . 1 1 115 115 LYS CA C 13 57.14 0.05 . 1 . . . . 111 LYS CA . 18041 1 973 . 1 1 115 115 LYS CB C 13 32.39 0.05 . 1 . . . . 111 LYS CB . 18041 1 974 . 1 1 115 115 LYS N N 15 120.82 0.05 . 1 . . . . 111 LYS N . 18041 1 975 . 1 1 116 116 GLN C C 13 175.78 0.05 . 1 . . . . 112 GLN C . 18041 1 976 . 1 1 116 116 GLN CA C 13 56.00 0.05 . 1 . . . . 112 GLN CA . 18041 1 977 . 1 1 116 116 GLN CB C 13 29.22 0.05 . 1 . . . . 112 GLN CB . 18041 1 978 . 1 1 116 116 GLN CG C 13 33.87 0.05 . 1 . . . . 112 GLN CG . 18041 1 979 . 1 1 117 117 VAL H H 1 7.90 0.02 . 1 . . . . 113 VAL H . 18041 1 980 . 1 1 117 117 VAL HA H 1 3.98 0.02 . 1 . . . . 113 VAL HA . 18041 1 981 . 1 1 117 117 VAL HB H 1 1.92 0.02 . 1 . . . . 113 VAL HB . 18041 1 982 . 1 1 117 117 VAL HG11 H 1 0.80 0.02 . 2 . . . . 113 VAL MG1 . 18041 1 983 . 1 1 117 117 VAL HG12 H 1 0.80 0.02 . 2 . . . . 113 VAL MG1 . 18041 1 984 . 1 1 117 117 VAL HG13 H 1 0.80 0.02 . 2 . . . . 113 VAL MG1 . 18041 1 985 . 1 1 117 117 VAL HG21 H 1 0.72 0.02 . 2 . . . . 113 VAL MG2 . 18041 1 986 . 1 1 117 117 VAL HG22 H 1 0.72 0.02 . 2 . . . . 113 VAL MG2 . 18041 1 987 . 1 1 117 117 VAL HG23 H 1 0.72 0.02 . 2 . . . . 113 VAL MG2 . 18041 1 988 . 1 1 117 117 VAL C C 13 175.70 0.05 . 1 . . . . 113 VAL C . 18041 1 989 . 1 1 117 117 VAL CA C 13 62.62 0.05 . 1 . . . . 113 VAL CA . 18041 1 990 . 1 1 117 117 VAL CB C 13 32.77 0.05 . 1 . . . . 113 VAL CB . 18041 1 991 . 1 1 117 117 VAL CG1 C 13 20.69 0.05 . 2 . . . . 113 VAL CG1 . 18041 1 992 . 1 1 117 117 VAL CG2 C 13 21.10 0.05 . 2 . . . . 113 VAL CG2 . 18041 1 993 . 1 1 117 117 VAL N N 15 120.36 0.05 . 1 . . . . 113 VAL N . 18041 1 994 . 1 1 118 118 PHE H H 1 8.15 0.02 . 1 . . . . 114 PHE H . 18041 1 995 . 1 1 118 118 PHE HB2 H 1 3.05 0.02 . 1 . . . . 114 PHE HB2 . 18041 1 996 . 1 1 118 118 PHE HB3 H 1 3.05 0.02 . 1 . . . . 114 PHE HB3 . 18041 1 997 . 1 1 118 118 PHE HD1 H 1 7.18 0.02 . 1 . . . . 114 PHE HD1 . 18041 1 998 . 1 1 118 118 PHE HD2 H 1 7.18 0.02 . 1 . . . . 114 PHE HD2 . 18041 1 999 . 1 1 118 118 PHE C C 13 175.48 0.05 . 1 . . . . 114 PHE C . 18041 1 1000 . 1 1 118 118 PHE CA C 13 57.39 0.05 . 1 . . . . 114 PHE CA . 18041 1 1001 . 1 1 118 118 PHE CB C 13 39.45 0.05 . 1 . . . . 114 PHE CB . 18041 1 1002 . 1 1 118 118 PHE N N 15 122.35 0.05 . 1 . . . . 114 PHE N . 18041 1 1003 . 1 1 119 119 ALA H H 1 8.10 0.02 . 1 . . . . 115 ALA H . 18041 1 1004 . 1 1 119 119 ALA HA H 1 4.21 0.02 . 1 . . . . 115 ALA HA . 18041 1 1005 . 1 1 119 119 ALA HB1 H 1 1.31 0.02 . 1 . . . . 115 ALA MB . 18041 1 1006 . 1 1 119 119 ALA HB2 H 1 1.31 0.02 . 1 . . . . 115 ALA MB . 18041 1 1007 . 1 1 119 119 ALA HB3 H 1 1.31 0.02 . 1 . . . . 115 ALA MB . 18041 1 1008 . 1 1 119 119 ALA C C 13 177.37 0.05 . 1 . . . . 115 ALA C . 18041 1 1009 . 1 1 119 119 ALA CA C 13 52.84 0.05 . 1 . . . . 115 ALA CA . 18041 1 1010 . 1 1 119 119 ALA CB C 13 19.28 0.05 . 1 . . . . 115 ALA CB . 18041 1 1011 . 1 1 119 119 ALA N N 15 125.10 0.05 . 1 . . . . 115 ALA N . 18041 1 1012 . 1 1 120 120 GLU H H 1 8.24 0.02 . 1 . . . . 116 GLU H . 18041 1 1013 . 1 1 120 120 GLU HA H 1 4.16 0.02 . 1 . . . . 116 GLU HA . 18041 1 1014 . 1 1 120 120 GLU HB2 H 1 1.85 0.02 . 1 . . . . 116 GLU HB2 . 18041 1 1015 . 1 1 120 120 GLU HB3 H 1 1.85 0.02 . 1 . . . . 116 GLU HB3 . 18041 1 1016 . 1 1 120 120 GLU HG3 H 1 2.2 0.02 . 2 . . . . 116 GLU HG3 . 18041 1 1017 . 1 1 120 120 GLU C C 13 176.05 0.05 . 1 . . . . 116 GLU C . 18041 1 1018 . 1 1 120 120 GLU CA C 13 56.86 0.05 . 1 . . . . 116 GLU CA . 18041 1 1019 . 1 1 120 120 GLU CB C 13 30.11 0.05 . 1 . . . . 116 GLU CB . 18041 1 1020 . 1 1 120 120 GLU CG C 13 36.37 0.05 . 1 . . . . 116 GLU CG . 18041 1 1021 . 1 1 120 120 GLU N N 15 119.09 0.05 . 1 . . . . 116 GLU N . 18041 1 1022 . 1 1 121 121 PHE H H 1 8.10 0.02 . 1 . . . . 117 PHE H . 18041 1 1023 . 1 1 121 121 PHE HB2 H 1 3.06 0.02 . 1 . . . . 117 PHE HB2 . 18041 1 1024 . 1 1 121 121 PHE HB3 H 1 3.06 0.02 . 1 . . . . 117 PHE HB3 . 18041 1 1025 . 1 1 121 121 PHE HD1 H 1 7.20 0.02 . 1 . . . . 117 PHE HD1 . 18041 1 1026 . 1 1 121 121 PHE HD2 H 1 7.20 0.02 . 1 . . . . 117 PHE HD2 . 18041 1 1027 . 1 1 121 121 PHE C C 13 175.25 0.05 . 1 . . . . 117 PHE C . 18041 1 1028 . 1 1 121 121 PHE CA C 13 57.43 0.05 . 1 . . . . 117 PHE CA . 18041 1 1029 . 1 1 121 121 PHE CB C 13 39.31 0.05 . 1 . . . . 117 PHE CB . 18041 1 1030 . 1 1 121 121 PHE N N 15 120.55 0.05 . 1 . . . . 117 PHE N . 18041 1 1031 . 1 1 122 122 ARG H H 1 7.95 0.02 . 1 . . . . 118 ARG H . 18041 1 1032 . 1 1 122 122 ARG HA H 1 4.28 0.02 . 1 . . . . 118 ARG HA . 18041 1 1033 . 1 1 122 122 ARG HB2 H 1 1.73 0.02 . 1 . . . . 118 ARG HB2 . 18041 1 1034 . 1 1 122 122 ARG HB3 H 1 1.73 0.02 . 1 . . . . 118 ARG HB3 . 18041 1 1035 . 1 1 122 122 ARG HG2 H 1 1.56 0.02 . 1 . . . . 118 ARG HG2 . 18041 1 1036 . 1 1 122 122 ARG HG3 H 1 1.56 0.02 . 1 . . . . 118 ARG HG3 . 18041 1 1037 . 1 1 122 122 ARG HD2 H 1 3.17 0.02 . 1 . . . . 118 ARG HD2 . 18041 1 1038 . 1 1 122 122 ARG HD3 H 1 3.17 0.02 . 1 . . . . 118 ARG HD3 . 18041 1 1039 . 1 1 122 122 ARG C C 13 175.60 0.05 . 1 . . . . 118 ARG C . 18041 1 1040 . 1 1 122 122 ARG CA C 13 55.66 0.05 . 1 . . . . 118 ARG CA . 18041 1 1041 . 1 1 122 122 ARG CB C 13 31.31 0.05 . 1 . . . . 118 ARG CB . 18041 1 1042 . 1 1 122 122 ARG CG C 13 27.02 0.05 . 1 . . . . 118 ARG CG . 18041 1 1043 . 1 1 122 122 ARG CD C 13 43.36 0.05 . 1 . . . . 118 ARG CD . 18041 1 1044 . 1 1 122 122 ARG N N 15 122.86 0.05 . 1 . . . . 118 ARG N . 18041 1 1045 . 1 1 123 123 GLU H H 1 8.38 0.02 . 1 . . . . 119 GLU H . 18041 1 1046 . 1 1 123 123 GLU HA H 1 4.19 0.02 . 1 . . . . 119 GLU HA . 18041 1 1047 . 1 1 123 123 GLU HB2 H 1 2.02 0.02 . 1 . . . . 119 GLU HB2 . 18041 1 1048 . 1 1 123 123 GLU HB3 H 1 2.02 0.02 . 1 . . . . 119 GLU HB3 . 18041 1 1049 . 1 1 123 123 GLU HG3 H 1 2.2 0.02 . 2 . . . . 119 GLU HG3 . 18041 1 1050 . 1 1 123 123 GLU C C 13 176.13 0.05 . 1 . . . . 119 GLU C . 18041 1 1051 . 1 1 123 123 GLU CA C 13 56.80 0.05 . 1 . . . . 119 GLU CA . 18041 1 1052 . 1 1 123 123 GLU CB C 13 30.13 0.05 . 1 . . . . 119 GLU CB . 18041 1 1053 . 1 1 123 123 GLU CG C 13 36.37 0.05 . 1 . . . . 119 GLU CG . 18041 1 1054 . 1 1 123 123 GLU N N 15 122.37 0.05 . 1 . . . . 119 GLU N . 18041 1 1055 . 1 1 124 124 LYS H H 1 8.22 0.02 . 1 . . . . 120 LYS H . 18041 1 1056 . 1 1 124 124 LYS HA H 1 4.31 0.02 . 1 . . . . 120 LYS HA . 18041 1 1057 . 1 1 124 124 LYS HB2 H 1 1.81 0.02 . 1 . . . . 120 LYS HB2 . 18041 1 1058 . 1 1 124 124 LYS HB3 H 1 1.81 0.02 . 1 . . . . 120 LYS HB3 . 18041 1 1059 . 1 1 124 124 LYS HG3 H 1 1.4 0.02 . 2 . . . . 120 LYS HG3 . 18041 1 1060 . 1 1 124 124 LYS HD3 H 1 1.6 0.02 . 2 . . . . 120 LYS HD3 . 18041 1 1061 . 1 1 124 124 LYS HE3 H 1 3.0 0.02 . 2 . . . . 120 LYS HE3 . 18041 1 1062 . 1 1 124 124 LYS C C 13 175.16 0.05 . 1 . . . . 120 LYS C . 18041 1 1063 . 1 1 124 124 LYS CA C 13 56.17 0.05 . 1 . . . . 120 LYS CA . 18041 1 1064 . 1 1 124 124 LYS CB C 13 33.23 0.05 . 1 . . . . 120 LYS CB . 18041 1 1065 . 1 1 124 124 LYS CG C 13 24.42 0.05 . 1 . . . . 120 LYS CG . 18041 1 1066 . 1 1 124 124 LYS CD C 13 29.08 0.05 . 1 . . . . 120 LYS CD . 18041 1 1067 . 1 1 124 124 LYS CE C 13 42.17 0.05 . 1 . . . . 120 LYS CE . 18041 1 1068 . 1 1 124 124 LYS N N 15 121.77 0.05 . 1 . . . . 120 LYS N . 18041 1 1069 . 1 1 125 125 ASP H H 1 7.93 0.02 . 1 . . . . 121 ASP H . 18041 1 1070 . 1 1 125 125 ASP HA H 1 4.33 0.02 . 1 . . . . 121 ASP HA . 18041 1 1071 . 1 1 125 125 ASP HB2 H 1 2.59 0.02 . 2 . . . . 121 ASP HB2 . 18041 1 1072 . 1 1 125 125 ASP HB3 H 1 2.52 0.02 . 2 . . . . 121 ASP HB3 . 18041 1 1073 . 1 1 125 125 ASP CA C 13 56.02 0.05 . 1 . . . . 121 ASP CA . 18041 1 1074 . 1 1 125 125 ASP CB C 13 42.18 0.05 . 1 . . . . 121 ASP CB . 18041 1 1075 . 1 1 125 125 ASP N N 15 127.13 0.05 . 1 . . . . 121 ASP N . 18041 1 stop_ save_