data_25277 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25277 _Entry.Title ; Solution structure of the lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-09 _Entry.Accession_date 2014-10-09 _Entry.Last_release_date 2015-07-13 _Entry.Original_release_date 2015-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Roberta Pozzi . . . . 25277 2 Paul Schwartz . . . . 25277 3 Dirk Linke . . . . 25277 4 Andreas Kulik . . . . 25277 5 Mulugeta Nega . . . . 25277 6 Wolfgang Wohlleben . . . . 25277 7 Evi Stegmann . . . . 25277 8 Murray Coles . . . . 25277 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' . 25277 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'lantibiotic resistance' . 25277 lipoprotein . 25277 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25277 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 25277 '15N chemical shifts' 82 25277 '1H chemical shifts' 573 25277 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 2 . . 2016-09-13 2014-10-09 update BMRB 'update entry citation' 25277 1 . . 2015-07-13 2014-10-09 original author 'original release' 25277 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MVO 'BMRB Entry Tracking System' 25277 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25277 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25923468 _Citation.Full_citation . _Citation.Title ; Distinct mechanisms contribute to immunity in the lantibiotic NAI-107 producer strain Microbispora ATCC PTA-5024 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Environ. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 118 _Citation.Page_last 132 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Roberta Pozzi . . . . 25277 1 2 Murray Coles . . . . 25277 1 3 Paul Schwartz . . . . 25277 1 4 Dirk Linke . . . . 25277 1 5 Andreas Kulik . . . . 25277 1 6 Mulugeta Nega . . . . 25277 1 7 Wolfgang Wohlleben . . . . 25277 1 8 Evi Stegmann . . . . 25277 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25277 _Assembly.ID 1 _Assembly.Name 'lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024' _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 MlbQ 1 $MlbQ A . yes native no no . . . 25277 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MlbQ _Entity.Sf_category entity _Entity.Sf_framecode MlbQ _Entity.Entry_ID 25277 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MlbQ _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 ; HHHHHHSSGLVPRGSGMKET AAAKFERQHMDSPDLGTDDD DKTGGGRADPAHRSPVPLPS PTSNKQDISEANLAYLWPLT VDHGTIECLPSDNAVFVAPD GTTYALNDRAEKAGHPPITP IRAKGSGGGYISLGALLSTT LNLCGKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -5-36 represent a non-native cloning/affinity tag' _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15456.215 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB ETK34049.1 . MlbQ . . . . . . . . . . . . . . 25277 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 -5 HIS . 25277 1 2 -4 HIS . 25277 1 3 -3 HIS . 25277 1 4 -2 HIS . 25277 1 5 -1 HIS . 25277 1 6 0 HIS . 25277 1 7 1 SER . 25277 1 8 2 SER . 25277 1 9 3 GLY . 25277 1 10 4 LEU . 25277 1 11 5 VAL . 25277 1 12 6 PRO . 25277 1 13 7 ARG . 25277 1 14 8 GLY . 25277 1 15 9 SER . 25277 1 16 10 GLY . 25277 1 17 11 MET . 25277 1 18 12 LYS . 25277 1 19 13 GLU . 25277 1 20 14 THR . 25277 1 21 15 ALA . 25277 1 22 16 ALA . 25277 1 23 17 ALA . 25277 1 24 18 LYS . 25277 1 25 19 PHE . 25277 1 26 20 GLU . 25277 1 27 21 ARG . 25277 1 28 22 GLN . 25277 1 29 23 HIS . 25277 1 30 24 MET . 25277 1 31 25 ASP . 25277 1 32 26 SER . 25277 1 33 27 PRO . 25277 1 34 28 ASP . 25277 1 35 29 LEU . 25277 1 36 30 GLY . 25277 1 37 31 THR . 25277 1 38 32 ASP . 25277 1 39 33 ASP . 25277 1 40 34 ASP . 25277 1 41 35 ASP . 25277 1 42 36 LYS . 25277 1 43 37 THR . 25277 1 44 38 GLY . 25277 1 45 39 GLY . 25277 1 46 40 GLY . 25277 1 47 41 ARG . 25277 1 48 42 ALA . 25277 1 49 43 ASP . 25277 1 50 44 PRO . 25277 1 51 45 ALA . 25277 1 52 46 HIS . 25277 1 53 47 ARG . 25277 1 54 48 SER . 25277 1 55 49 PRO . 25277 1 56 50 VAL . 25277 1 57 51 PRO . 25277 1 58 52 LEU . 25277 1 59 53 PRO . 25277 1 60 54 SER . 25277 1 61 55 PRO . 25277 1 62 56 THR . 25277 1 63 57 SER . 25277 1 64 58 ASN . 25277 1 65 59 LYS . 25277 1 66 60 GLN . 25277 1 67 61 ASP . 25277 1 68 62 ILE . 25277 1 69 63 SER . 25277 1 70 64 GLU . 25277 1 71 65 ALA . 25277 1 72 66 ASN . 25277 1 73 67 LEU . 25277 1 74 68 ALA . 25277 1 75 69 TYR . 25277 1 76 70 LEU . 25277 1 77 71 TRP . 25277 1 78 72 PRO . 25277 1 79 73 LEU . 25277 1 80 74 THR . 25277 1 81 75 VAL . 25277 1 82 76 ASP . 25277 1 83 77 HIS . 25277 1 84 78 GLY . 25277 1 85 79 THR . 25277 1 86 80 ILE . 25277 1 87 81 GLU . 25277 1 88 82 CYS . 25277 1 89 83 LEU . 25277 1 90 84 PRO . 25277 1 91 85 SER . 25277 1 92 86 ASP . 25277 1 93 87 ASN . 25277 1 94 88 ALA . 25277 1 95 89 VAL . 25277 1 96 90 PHE . 25277 1 97 91 VAL . 25277 1 98 92 ALA . 25277 1 99 93 PRO . 25277 1 100 94 ASP . 25277 1 101 95 GLY . 25277 1 102 96 THR . 25277 1 103 97 THR . 25277 1 104 98 TYR . 25277 1 105 99 ALA . 25277 1 106 100 LEU . 25277 1 107 101 ASN . 25277 1 108 102 ASP . 25277 1 109 103 ARG . 25277 1 110 104 ALA . 25277 1 111 105 GLU . 25277 1 112 106 LYS . 25277 1 113 107 ALA . 25277 1 114 108 GLY . 25277 1 115 109 HIS . 25277 1 116 110 PRO . 25277 1 117 111 PRO . 25277 1 118 112 ILE . 25277 1 119 113 THR . 25277 1 120 114 PRO . 25277 1 121 115 ILE . 25277 1 122 116 ARG . 25277 1 123 117 ALA . 25277 1 124 118 LYS . 25277 1 125 119 GLY . 25277 1 126 120 SER . 25277 1 127 121 GLY . 25277 1 128 122 GLY . 25277 1 129 123 GLY . 25277 1 130 124 TYR . 25277 1 131 125 ILE . 25277 1 132 126 SER . 25277 1 133 127 LEU . 25277 1 134 128 GLY . 25277 1 135 129 ALA . 25277 1 136 130 LEU . 25277 1 137 131 LEU . 25277 1 138 132 SER . 25277 1 139 133 THR . 25277 1 140 134 THR . 25277 1 141 135 LEU . 25277 1 142 136 ASN . 25277 1 143 137 LEU . 25277 1 144 138 CYS . 25277 1 145 139 GLY . 25277 1 146 140 LYS . 25277 1 147 141 GLY . 25277 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 . HIS 1 1 25277 1 . HIS 2 2 25277 1 . HIS 3 3 25277 1 . HIS 4 4 25277 1 . HIS 5 5 25277 1 . HIS 6 6 25277 1 . SER 7 7 25277 1 . SER 8 8 25277 1 . GLY 9 9 25277 1 . LEU 10 10 25277 1 . VAL 11 11 25277 1 . PRO 12 12 25277 1 . ARG 13 13 25277 1 . GLY 14 14 25277 1 . SER 15 15 25277 1 . GLY 16 16 25277 1 . MET 17 17 25277 1 . LYS 18 18 25277 1 . GLU 19 19 25277 1 . THR 20 20 25277 1 . ALA 21 21 25277 1 . ALA 22 22 25277 1 . ALA 23 23 25277 1 . LYS 24 24 25277 1 . PHE 25 25 25277 1 . GLU 26 26 25277 1 . ARG 27 27 25277 1 . GLN 28 28 25277 1 . HIS 29 29 25277 1 . MET 30 30 25277 1 . ASP 31 31 25277 1 . SER 32 32 25277 1 . PRO 33 33 25277 1 . ASP 34 34 25277 1 . LEU 35 35 25277 1 . GLY 36 36 25277 1 . THR 37 37 25277 1 . ASP 38 38 25277 1 . ASP 39 39 25277 1 . ASP 40 40 25277 1 . ASP 41 41 25277 1 . LYS 42 42 25277 1 . THR 43 43 25277 1 . GLY 44 44 25277 1 . GLY 45 45 25277 1 . GLY 46 46 25277 1 . ARG 47 47 25277 1 . ALA 48 48 25277 1 . ASP 49 49 25277 1 . PRO 50 50 25277 1 . ALA 51 51 25277 1 . HIS 52 52 25277 1 . ARG 53 53 25277 1 . SER 54 54 25277 1 . PRO 55 55 25277 1 . VAL 56 56 25277 1 . PRO 57 57 25277 1 . LEU 58 58 25277 1 . PRO 59 59 25277 1 . SER 60 60 25277 1 . PRO 61 61 25277 1 . THR 62 62 25277 1 . SER 63 63 25277 1 . ASN 64 64 25277 1 . LYS 65 65 25277 1 . GLN 66 66 25277 1 . ASP 67 67 25277 1 . ILE 68 68 25277 1 . SER 69 69 25277 1 . GLU 70 70 25277 1 . ALA 71 71 25277 1 . ASN 72 72 25277 1 . LEU 73 73 25277 1 . ALA 74 74 25277 1 . TYR 75 75 25277 1 . LEU 76 76 25277 1 . TRP 77 77 25277 1 . PRO 78 78 25277 1 . LEU 79 79 25277 1 . THR 80 80 25277 1 . VAL 81 81 25277 1 . ASP 82 82 25277 1 . HIS 83 83 25277 1 . GLY 84 84 25277 1 . THR 85 85 25277 1 . ILE 86 86 25277 1 . GLU 87 87 25277 1 . CYS 88 88 25277 1 . LEU 89 89 25277 1 . PRO 90 90 25277 1 . SER 91 91 25277 1 . ASP 92 92 25277 1 . ASN 93 93 25277 1 . ALA 94 94 25277 1 . VAL 95 95 25277 1 . PHE 96 96 25277 1 . VAL 97 97 25277 1 . ALA 98 98 25277 1 . PRO 99 99 25277 1 . ASP 100 100 25277 1 . GLY 101 101 25277 1 . THR 102 102 25277 1 . THR 103 103 25277 1 . TYR 104 104 25277 1 . ALA 105 105 25277 1 . LEU 106 106 25277 1 . ASN 107 107 25277 1 . ASP 108 108 25277 1 . ARG 109 109 25277 1 . ALA 110 110 25277 1 . GLU 111 111 25277 1 . LYS 112 112 25277 1 . ALA 113 113 25277 1 . GLY 114 114 25277 1 . HIS 115 115 25277 1 . PRO 116 116 25277 1 . PRO 117 117 25277 1 . ILE 118 118 25277 1 . THR 119 119 25277 1 . PRO 120 120 25277 1 . ILE 121 121 25277 1 . ARG 122 122 25277 1 . ALA 123 123 25277 1 . LYS 124 124 25277 1 . GLY 125 125 25277 1 . SER 126 126 25277 1 . GLY 127 127 25277 1 . GLY 128 128 25277 1 . GLY 129 129 25277 1 . TYR 130 130 25277 1 . ILE 131 131 25277 1 . SER 132 132 25277 1 . LEU 133 133 25277 1 . GLY 134 134 25277 1 . ALA 135 135 25277 1 . LEU 136 136 25277 1 . LEU 137 137 25277 1 . SER 138 138 25277 1 . THR 139 139 25277 1 . THR 140 140 25277 1 . LEU 141 141 25277 1 . ASN 142 142 25277 1 . LEU 143 143 25277 1 . CYS 144 144 25277 1 . GLY 145 145 25277 1 . LYS 146 146 25277 1 . GLY 147 147 25277 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 25277 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MlbQ . 316330 organism . 'Microbispora ATCC PTA-5024' 'high GC Gram+' . . Bacteria . Microbispora 'ATCC PTA-5024' . . . . . . . . . . . . . 25277 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 25277 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MlbQ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET30 . . . 25277 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labelled _Sample.Sf_category sample _Sample.Sf_framecode 15N-labelled _Sample.Entry_ID 25277 _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 MlbQ '[U-100% 15N]' . . 1 $MlbQ . . 0.5 . . mM . . . . 25277 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25277 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25277 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25277 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25277 1 stop_ save_ save_13C-15N-labelled _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N-labelled _Sample.Entry_ID 25277 _Sample.ID 2 _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 MlbQ '[U-100% 13C; U-100% 15N]' . . 1 $MlbQ . . 0.5 . . mM . . . . 25277 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25277 2 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25277 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25277 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25277 2 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 25277 _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' 0.240 . M 25277 1 pH 8.0 . pH 25277 1 pressure 1 . atm 25277 1 temperature 298 . K 25277 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25277 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25277 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25277 1 processing 25277 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25277 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25277 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25277 2 'data analysis' 25277 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25277 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version 2.9.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25277 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25277 3 'structure solution' 25277 3 stop_ save_ save_NMR-SPIRIT _Software.Sf_category software _Software.Sf_framecode NMR-SPIRIT _Software.Entry_ID 25277 _Software.ID 4 _Software.Name NMR-SPIRIT _Software.Version 1.1 _Software.Details '3D-NOESY back-calculation suite' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'In house' . . 25277 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25277 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25277 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25277 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25277 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25277 1 2 spectrometer_2 Bruker Avance . 800 . . . 25277 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 25277 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 2 '3D C(CO)NH' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 4 '3D CCH NOESY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25277 1 5 '3D CNH NOESY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25277 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25277 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25277 1 8 '3D HNHA' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 9 '3D HNHB' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 10 '3D 3JHBHA(CO)NH' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 11 '3D NNH NOESY' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25277 1 12 '3D HN(CA)NNH' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25277 1 13 '3D HNCA' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25277 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25277 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 2.60 na indirect 0.251449530 . . . . . 25277 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25277 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25277 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 25277 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 25277 1 2 '3D C(CO)NH' . . . 25277 1 3 '3D HCCH-TOCSY' . . . 25277 1 8 '3D HNHA' . . . 25277 1 9 '3D HNHB' . . . 25277 1 10 '3D 3JHBHA(CO)NH' . . . 25277 1 12 '3D HN(CA)NNH' . . . 25277 1 13 '3D HNCA' . . . 25277 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25277 1 2 $SPARKY . . 25277 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 33 33 PRO CA C 13 63.23 0.05 . 1 . . . A 27 PRO CA . 25277 1 2 . 1 1 33 33 PRO CB C 13 32.05 0.05 . 1 . . . A 27 PRO CB . 25277 1 3 . 1 1 33 33 PRO CG C 13 27.11 0.05 . 1 . . . A 27 PRO CG . 25277 1 4 . 1 1 33 33 PRO CD C 13 50.47 0.05 . 1 . . . A 27 PRO CD . 25277 1 5 . 1 1 34 34 ASP H H 1 8.26 0.02 . 1 . . . A 28 ASP H . 25277 1 6 . 1 1 34 34 ASP C C 13 176.13 0.05 . 1 . . . A 28 ASP C . 25277 1 7 . 1 1 34 34 ASP CA C 13 54.17 0.05 . 1 . . . A 28 ASP CA . 25277 1 8 . 1 1 34 34 ASP CB C 13 40.86 0.05 . 1 . . . A 28 ASP CB . 25277 1 9 . 1 1 34 34 ASP N N 15 120.03 0.05 . 1 . . . A 28 ASP N . 25277 1 10 . 1 1 35 35 LEU H H 1 8.12 0.02 . 1 . . . A 29 LEU H . 25277 1 11 . 1 1 35 35 LEU C C 13 177.87 0.05 . 1 . . . A 29 LEU C . 25277 1 12 . 1 1 35 35 LEU CA C 13 55.16 0.05 . 1 . . . A 29 LEU CA . 25277 1 13 . 1 1 35 35 LEU CB C 13 42.27 0.05 . 1 . . . A 29 LEU CB . 25277 1 14 . 1 1 35 35 LEU CG C 13 26.82 0.05 . 1 . . . A 29 LEU CG . 25277 1 15 . 1 1 35 35 LEU N N 15 123.03 0.05 . 1 . . . A 29 LEU N . 25277 1 16 . 1 1 36 36 GLY H H 1 8.41 0.02 . 1 . . . A 30 GLY H . 25277 1 17 . 1 1 36 36 GLY CA C 13 45.34 0.05 . 1 . . . A 30 GLY CA . 25277 1 18 . 1 1 36 36 GLY N N 15 109.35 0.05 . 1 . . . A 30 GLY N . 25277 1 19 . 1 1 50 50 PRO CA C 13 63.59 0.05 . 1 . . . A 44 PRO CA . 25277 1 20 . 1 1 50 50 PRO CB C 13 31.99 0.05 . 1 . . . A 44 PRO CB . 25277 1 21 . 1 1 50 50 PRO CG C 13 27.11 0.05 . 1 . . . A 44 PRO CG . 25277 1 22 . 1 1 50 50 PRO CD C 13 50.72 0.05 . 1 . . . A 44 PRO CD . 25277 1 23 . 1 1 51 51 ALA H H 1 8.35 0.02 . 1 . . . A 45 ALA H . 25277 1 24 . 1 1 51 51 ALA CA C 13 52.67 0.05 . 1 . . . A 45 ALA CA . 25277 1 25 . 1 1 51 51 ALA N N 15 122.14 0.05 . 1 . . . A 45 ALA N . 25277 1 26 . 1 1 55 55 PRO HA H 1 4.30 0.02 . 1 . . . A 49 PRO HA . 25277 1 27 . 1 1 55 55 PRO HB2 H 1 2.07 0.02 . 1 . . . A 49 PRO HB2 . 25277 1 28 . 1 1 55 55 PRO HB3 H 1 1.85 0.02 . 1 . . . A 49 PRO HB3 . 25277 1 29 . 1 1 55 55 PRO CA C 13 62.95 0.05 . 1 . . . A 49 PRO CA . 25277 1 30 . 1 1 55 55 PRO CB C 13 31.99 0.05 . 1 . . . A 49 PRO CB . 25277 1 31 . 1 1 55 55 PRO CG C 13 27.07 0.05 . 1 . . . A 49 PRO CG . 25277 1 32 . 1 1 55 55 PRO CD C 13 50.62 0.05 . 1 . . . A 49 PRO CD . 25277 1 33 . 1 1 56 56 VAL H H 1 8.07 0.02 . 1 . . . A 50 VAL H . 25277 1 34 . 1 1 56 56 VAL HA H 1 4.32 0.02 . 1 . . . A 50 VAL HA . 25277 1 35 . 1 1 56 56 VAL HB H 1 1.71 0.02 . 1 . . . A 50 VAL HB . 25277 1 36 . 1 1 56 56 VAL HG11 H 1 0.89 0.02 . 1 . . . A 50 VAL HG11 . 25277 1 37 . 1 1 56 56 VAL HG12 H 1 0.89 0.02 . 1 . . . A 50 VAL HG12 . 25277 1 38 . 1 1 56 56 VAL HG13 H 1 0.89 0.02 . 1 . . . A 50 VAL HG13 . 25277 1 39 . 1 1 56 56 VAL HG21 H 1 0.91 0.02 . 1 . . . A 50 VAL HG21 . 25277 1 40 . 1 1 56 56 VAL HG22 H 1 0.91 0.02 . 1 . . . A 50 VAL HG22 . 25277 1 41 . 1 1 56 56 VAL HG23 H 1 0.91 0.02 . 1 . . . A 50 VAL HG23 . 25277 1 42 . 1 1 56 56 VAL CA C 13 59.85 0.05 . 1 . . . A 50 VAL CA . 25277 1 43 . 1 1 56 56 VAL CB C 13 32.48 0.05 . 1 . . . A 50 VAL CB . 25277 1 44 . 1 1 56 56 VAL CG1 C 13 20.25 0.05 . 1 . . . A 50 VAL CG1 . 25277 1 45 . 1 1 56 56 VAL CG2 C 13 20.75 0.05 . 1 . . . A 50 VAL CG2 . 25277 1 46 . 1 1 56 56 VAL N N 15 124.19 0.05 . 1 . . . A 50 VAL N . 25277 1 47 . 1 1 57 57 PRO HA H 1 4.35 0.02 . 1 . . . A 51 PRO HA . 25277 1 48 . 1 1 57 57 PRO HB2 H 1 2.06 0.02 . 1 . . . A 51 PRO HB2 . 25277 1 49 . 1 1 57 57 PRO HB3 H 1 1.79 0.02 . 1 . . . A 51 PRO HB3 . 25277 1 50 . 1 1 57 57 PRO HD2 H 1 3.80 0.02 . 2 . . . A 51 PRO HD2 . 25277 1 51 . 1 1 57 57 PRO HD3 H 1 3.59 0.02 . 2 . . . A 51 PRO HD3 . 25277 1 52 . 1 1 57 57 PRO CA C 13 62.93 0.05 . 1 . . . A 51 PRO CA . 25277 1 53 . 1 1 57 57 PRO CB C 13 31.98 0.05 . 1 . . . A 51 PRO CB . 25277 1 54 . 1 1 57 57 PRO CG C 13 27.40 0.05 . 1 . . . A 51 PRO CG . 25277 1 55 . 1 1 57 57 PRO CD C 13 51.01 0.05 . 1 . . . A 51 PRO CD . 25277 1 56 . 1 1 58 58 LEU H H 1 8.36 0.02 . 1 . . . A 52 LEU H . 25277 1 57 . 1 1 58 58 LEU HA H 1 4.49 0.02 . 1 . . . A 52 LEU HA . 25277 1 58 . 1 1 58 58 LEU HB2 H 1 1.55 0.02 . 1 . . . A 52 LEU HB2 . 25277 1 59 . 1 1 58 58 LEU HB3 H 1 1.55 0.02 . 1 . . . A 52 LEU HB3 . 25277 1 60 . 1 1 58 58 LEU HG H 1 1.49 0.02 . 1 . . . A 52 LEU HG . 25277 1 61 . 1 1 58 58 LEU HD11 H 1 0.86 0.02 . 1 . . . A 52 LEU HD11 . 25277 1 62 . 1 1 58 58 LEU HD12 H 1 0.86 0.02 . 1 . . . A 52 LEU HD12 . 25277 1 63 . 1 1 58 58 LEU HD13 H 1 0.86 0.02 . 1 . . . A 52 LEU HD13 . 25277 1 64 . 1 1 58 58 LEU HD21 H 1 0.89 0.02 . 1 . . . A 52 LEU HD21 . 25277 1 65 . 1 1 58 58 LEU HD22 H 1 0.89 0.02 . 1 . . . A 52 LEU HD22 . 25277 1 66 . 1 1 58 58 LEU HD23 H 1 0.89 0.02 . 1 . . . A 52 LEU HD23 . 25277 1 67 . 1 1 58 58 LEU CA C 13 52.89 0.05 . 1 . . . A 52 LEU CA . 25277 1 68 . 1 1 58 58 LEU CB C 13 42.19 0.05 . 1 . . . A 52 LEU CB . 25277 1 69 . 1 1 58 58 LEU CG C 13 27.03 0.05 . 1 . . . A 52 LEU CG . 25277 1 70 . 1 1 58 58 LEU CD1 C 13 24.96 0.05 . 1 . . . A 52 LEU CD1 . 25277 1 71 . 1 1 58 58 LEU CD2 C 13 23.39 0.05 . 1 . . . A 52 LEU CD2 . 25277 1 72 . 1 1 58 58 LEU N N 15 124.50 0.05 . 1 . . . A 52 LEU N . 25277 1 73 . 1 1 59 59 PRO HA H 1 4.41 0.02 . 1 . . . A 53 PRO HA . 25277 1 74 . 1 1 59 59 PRO HB2 H 1 2.24 0.02 . 2 . . . A 53 PRO HB2 . 25277 1 75 . 1 1 59 59 PRO HB3 H 1 1.81 0.02 . 2 . . . A 53 PRO HB3 . 25277 1 76 . 1 1 59 59 PRO HD2 H 1 3.80 0.02 . 1 . . . A 53 PRO HD2 . 25277 1 77 . 1 1 59 59 PRO HD3 H 1 3.80 0.02 . 1 . . . A 53 PRO HD3 . 25277 1 78 . 1 1 59 59 PRO CA C 13 62.33 0.05 . 1 . . . A 53 PRO CA . 25277 1 79 . 1 1 59 59 PRO CB C 13 31.99 0.05 . 1 . . . A 53 PRO CB . 25277 1 80 . 1 1 59 59 PRO CG C 13 27.34 0.05 . 1 . . . A 53 PRO CG . 25277 1 81 . 1 1 59 59 PRO CD C 13 50.22 0.05 . 1 . . . A 53 PRO CD . 25277 1 82 . 1 1 60 60 SER H H 1 8.40 0.02 . 1 . . . A 54 SER H . 25277 1 83 . 1 1 60 60 SER HA H 1 4.60 0.02 . 1 . . . A 54 SER HA . 25277 1 84 . 1 1 60 60 SER CA C 13 56.71 0.05 . 1 . . . A 54 SER CA . 25277 1 85 . 1 1 60 60 SER CB C 13 62.5 0.05 . 1 . . . A 54 SER CB . 25277 1 86 . 1 1 60 60 SER N N 15 117.38 0.05 . 1 . . . A 54 SER N . 25277 1 87 . 1 1 61 61 PRO HA H 1 4.55 0.02 . 1 . . . A 55 PRO HA . 25277 1 88 . 1 1 61 61 PRO HB2 H 1 2.19 0.02 . 2 . . . A 55 PRO HB2 . 25277 1 89 . 1 1 61 61 PRO HB3 H 1 2.00 0.02 . 2 . . . A 55 PRO HB3 . 25277 1 90 . 1 1 61 61 PRO HG2 H 1 1.93 0.02 . 1 . . . A 55 PRO HG2 . 25277 1 91 . 1 1 61 61 PRO HG3 H 1 1.93 0.02 . 1 . . . A 55 PRO HG3 . 25277 1 92 . 1 1 61 61 PRO HD2 H 1 3.85 0.02 . 1 . . . A 55 PRO HD2 . 25277 1 93 . 1 1 61 61 PRO HD3 H 1 3.52 0.02 . 1 . . . A 55 PRO HD3 . 25277 1 94 . 1 1 61 61 PRO CA C 13 62.54 0.05 . 1 . . . A 55 PRO CA . 25277 1 95 . 1 1 61 61 PRO CB C 13 32.62 0.05 . 1 . . . A 55 PRO CB . 25277 1 96 . 1 1 61 61 PRO CG C 13 27.24 0.05 . 1 . . . A 55 PRO CG . 25277 1 97 . 1 1 61 61 PRO CD C 13 50.51 0.05 . 1 . . . A 55 PRO CD . 25277 1 98 . 1 1 63 63 SER HA H 1 4.42 0.02 . 1 . . . A 57 SER HA . 25277 1 99 . 1 1 63 63 SER HB2 H 1 3.92 0.02 . 1 . . . A 57 SER HB2 . 25277 1 100 . 1 1 63 63 SER HB3 H 1 3.92 0.02 . 1 . . . A 57 SER HB3 . 25277 1 101 . 1 1 63 63 SER CA C 13 57.58 0.05 . 1 . . . A 57 SER CA . 25277 1 102 . 1 1 63 63 SER CB C 13 63.78 0.05 . 1 . . . A 57 SER CB . 25277 1 103 . 1 1 64 64 ASN HA H 1 4.99 0.02 . 1 . . . A 58 ASN HA . 25277 1 104 . 1 1 64 64 ASN HB2 H 1 3.22 0.02 . 2 . . . A 58 ASN HB2 . 25277 1 105 . 1 1 64 64 ASN HB3 H 1 2.69 0.02 . 2 . . . A 58 ASN HB3 . 25277 1 106 . 1 1 64 64 ASN HD21 H 1 7.47 0.02 . 2 . . . A 58 ASN HD21 . 25277 1 107 . 1 1 64 64 ASN HD22 H 1 7.29 0.02 . 2 . . . A 58 ASN HD22 . 25277 1 108 . 1 1 64 64 ASN C C 13 172.23 0.05 . 1 . . . A 58 ASN C . 25277 1 109 . 1 1 64 64 ASN CA C 13 53.67 0.05 . 1 . . . A 58 ASN CA . 25277 1 110 . 1 1 64 64 ASN CB C 13 37.85 0.05 . 1 . . . A 58 ASN CB . 25277 1 111 . 1 1 64 64 ASN ND2 N 15 113.84 0.05 . 1 . . . A 58 ASN ND2 . 25277 1 112 . 1 1 65 65 LYS H H 1 7.64 0.02 . 1 . . . A 59 LYS H . 25277 1 113 . 1 1 65 65 LYS HA H 1 5.36 0.02 . 1 . . . A 59 LYS HA . 25277 1 114 . 1 1 65 65 LYS HB2 H 1 1.48 0.02 . 1 . . . A 59 LYS HB2 . 25277 1 115 . 1 1 65 65 LYS HB3 H 1 1.48 0.02 . 1 . . . A 59 LYS HB3 . 25277 1 116 . 1 1 65 65 LYS HG2 H 1 1.15 0.02 . 1 . . . A 59 LYS HG2 . 25277 1 117 . 1 1 65 65 LYS HG3 H 1 1.15 0.02 . 1 . . . A 59 LYS HG3 . 25277 1 118 . 1 1 65 65 LYS HD2 H 1 1.45 0.02 . 1 . . . A 59 LYS HD2 . 25277 1 119 . 1 1 65 65 LYS HD3 H 1 1.45 0.02 . 1 . . . A 59 LYS HD3 . 25277 1 120 . 1 1 65 65 LYS HE2 H 1 2.79 0.02 . 1 . . . A 59 LYS HE2 . 25277 1 121 . 1 1 65 65 LYS HE3 H 1 2.79 0.02 . 1 . . . A 59 LYS HE3 . 25277 1 122 . 1 1 65 65 LYS C C 13 175.12 0.05 . 1 . . . A 59 LYS C . 25277 1 123 . 1 1 65 65 LYS CA C 13 54.86 0.05 . 1 . . . A 59 LYS CA . 25277 1 124 . 1 1 65 65 LYS CB C 13 36.45 0.05 . 1 . . . A 59 LYS CB . 25277 1 125 . 1 1 65 65 LYS CG C 13 23.54 0.05 . 1 . . . A 59 LYS CG . 25277 1 126 . 1 1 65 65 LYS CD C 13 29.60 0.05 . 1 . . . A 59 LYS CD . 25277 1 127 . 1 1 65 65 LYS CE C 13 41.20 0.05 . 1 . . . A 59 LYS CE . 25277 1 128 . 1 1 65 65 LYS N N 15 117.66 0.05 . 1 . . . A 59 LYS N . 25277 1 129 . 1 1 66 66 GLN H H 1 8.93 0.02 . 1 . . . A 60 GLN H . 25277 1 130 . 1 1 66 66 GLN HA H 1 4.49 0.02 . 1 . . . A 60 GLN HA . 25277 1 131 . 1 1 66 66 GLN HB2 H 1 1.89 0.02 . 1 . . . A 60 GLN HB2 . 25277 1 132 . 1 1 66 66 GLN HB3 H 1 1.74 0.02 . 1 . . . A 60 GLN HB3 . 25277 1 133 . 1 1 66 66 GLN HG2 H 1 2.28 0.02 . 2 . . . A 60 GLN HG2 . 25277 1 134 . 1 1 66 66 GLN HG3 H 1 1.55 0.02 . 2 . . . A 60 GLN HG3 . 25277 1 135 . 1 1 66 66 GLN HE21 H 1 6.59 0.02 . 2 . . . A 60 GLN HE21 . 25277 1 136 . 1 1 66 66 GLN HE22 H 1 7.36 0.02 . 2 . . . A 60 GLN HE22 . 25277 1 137 . 1 1 66 66 GLN C C 13 173.64 0.05 . 1 . . . A 60 GLN C . 25277 1 138 . 1 1 66 66 GLN CA C 13 55.48 0.05 . 1 . . . A 60 GLN CA . 25277 1 139 . 1 1 66 66 GLN CB C 13 33.99 0.05 . 1 . . . A 60 GLN CB . 25277 1 140 . 1 1 66 66 GLN CG C 13 34.0 0.05 . 1 . . . A 60 GLN CG . 25277 1 141 . 1 1 66 66 GLN N N 15 120.68 0.05 . 1 . . . A 60 GLN N . 25277 1 142 . 1 1 66 66 GLN NE2 N 15 109.91 0.05 . 1 . . . A 60 GLN NE2 . 25277 1 143 . 1 1 67 67 ASP H H 1 8.54 0.02 . 1 . . . A 61 ASP H . 25277 1 144 . 1 1 67 67 ASP HA H 1 5.05 0.02 . 1 . . . A 61 ASP HA . 25277 1 145 . 1 1 67 67 ASP HB2 H 1 2.48 0.02 . 1 . . . A 61 ASP HB2 . 25277 1 146 . 1 1 67 67 ASP HB3 H 1 2.76 0.02 . 1 . . . A 61 ASP HB3 . 25277 1 147 . 1 1 67 67 ASP C C 13 175.00 0.05 . 1 . . . A 61 ASP C . 25277 1 148 . 1 1 67 67 ASP CA C 13 54.88 0.05 . 1 . . . A 61 ASP CA . 25277 1 149 . 1 1 67 67 ASP CB C 13 40.77 0.05 . 1 . . . A 61 ASP CB . 25277 1 150 . 1 1 67 67 ASP N N 15 126.17 0.05 . 1 . . . A 61 ASP N . 25277 1 151 . 1 1 68 68 ILE H H 1 8.97 0.02 . 1 . . . A 62 ILE H . 25277 1 152 . 1 1 68 68 ILE HA H 1 4.78 0.02 . 1 . . . A 62 ILE HA . 25277 1 153 . 1 1 68 68 ILE HB H 1 1.66 0.02 . 1 . . . A 62 ILE HB . 25277 1 154 . 1 1 68 68 ILE HG12 H 1 1.86 0.02 . 2 . . . A 62 ILE HG12 . 25277 1 155 . 1 1 68 68 ILE HG13 H 1 1.53 0.02 . 2 . . . A 62 ILE HG13 . 25277 1 156 . 1 1 68 68 ILE HG21 H 1 1.07 0.02 . 1 . . . A 62 ILE HG21 . 25277 1 157 . 1 1 68 68 ILE HG22 H 1 1.07 0.02 . 1 . . . A 62 ILE HG22 . 25277 1 158 . 1 1 68 68 ILE HG23 H 1 1.07 0.02 . 1 . . . A 62 ILE HG23 . 25277 1 159 . 1 1 68 68 ILE HD11 H 1 0.99 0.02 . 1 . . . A 62 ILE HD11 . 25277 1 160 . 1 1 68 68 ILE HD12 H 1 0.99 0.02 . 1 . . . A 62 ILE HD12 . 25277 1 161 . 1 1 68 68 ILE HD13 H 1 0.99 0.02 . 1 . . . A 62 ILE HD13 . 25277 1 162 . 1 1 68 68 ILE C C 13 171.48 0.05 . 1 . . . A 62 ILE C . 25277 1 163 . 1 1 68 68 ILE CA C 13 60.09 0.05 . 1 . . . A 62 ILE CA . 25277 1 164 . 1 1 68 68 ILE CB C 13 43.14 0.05 . 1 . . . A 62 ILE CB . 25277 1 165 . 1 1 68 68 ILE CG1 C 13 29.09 0.05 . 1 . . . A 62 ILE CG1 . 25277 1 166 . 1 1 68 68 ILE CG2 C 13 15.76 0.05 . 1 . . . A 62 ILE CG2 . 25277 1 167 . 1 1 68 68 ILE CD1 C 13 15.07 0.05 . 1 . . . A 62 ILE CD1 . 25277 1 168 . 1 1 68 68 ILE N N 15 121.10 0.05 . 1 . . . A 62 ILE N . 25277 1 169 . 1 1 69 69 SER H H 1 8.52 0.02 . 1 . . . A 63 SER H . 25277 1 170 . 1 1 69 69 SER HA H 1 4.68 0.02 . 1 . . . A 63 SER HA . 25277 1 171 . 1 1 69 69 SER HB2 H 1 4.01 0.02 . 1 . . . A 63 SER HB2 . 25277 1 172 . 1 1 69 69 SER HB3 H 1 3.73 0.02 . 1 . . . A 63 SER HB3 . 25277 1 173 . 1 1 69 69 SER C C 13 174.03 0.05 . 1 . . . A 63 SER C . 25277 1 174 . 1 1 69 69 SER CA C 13 56.55 0.05 . 1 . . . A 63 SER CA . 25277 1 175 . 1 1 69 69 SER CB C 13 67.32 0.05 . 1 . . . A 63 SER CB . 25277 1 176 . 1 1 69 69 SER N N 15 119.43 0.05 . 1 . . . A 63 SER N . 25277 1 177 . 1 1 70 70 GLU H H 1 7.40 0.02 . 1 . . . A 64 GLU H . 25277 1 178 . 1 1 70 70 GLU HA H 1 2.77 0.02 . 1 . . . A 64 GLU HA . 25277 1 179 . 1 1 70 70 GLU HB2 H 1 1.00 0.02 . 1 . . . A 64 GLU HB2 . 25277 1 180 . 1 1 70 70 GLU HB3 H 1 1.12 0.02 . 1 . . . A 64 GLU HB3 . 25277 1 181 . 1 1 70 70 GLU HG2 H 1 1.93 0.02 . 1 . . . A 64 GLU HG2 . 25277 1 182 . 1 1 70 70 GLU HG3 H 1 1.93 0.02 . 1 . . . A 64 GLU HG3 . 25277 1 183 . 1 1 70 70 GLU C C 13 177.19 0.05 . 1 . . . A 64 GLU C . 25277 1 184 . 1 1 70 70 GLU CA C 13 58.59 0.05 . 1 . . . A 64 GLU CA . 25277 1 185 . 1 1 70 70 GLU CB C 13 28.14 0.05 . 1 . . . A 64 GLU CB . 25277 1 186 . 1 1 70 70 GLU CG C 13 34.46 0.05 . 1 . . . A 64 GLU CG . 25277 1 187 . 1 1 70 70 GLU N N 15 121.25 0.05 . 1 . . . A 64 GLU N . 25277 1 188 . 1 1 71 71 ALA H H 1 7.70 0.02 . 1 . . . A 65 ALA H . 25277 1 189 . 1 1 71 71 ALA HA H 1 3.86 0.02 . 1 . . . A 65 ALA HA . 25277 1 190 . 1 1 71 71 ALA HB1 H 1 1.17 0.02 . 1 . . . A 65 ALA HB1 . 25277 1 191 . 1 1 71 71 ALA HB2 H 1 1.17 0.02 . 1 . . . A 65 ALA HB2 . 25277 1 192 . 1 1 71 71 ALA HB3 H 1 1.17 0.02 . 1 . . . A 65 ALA HB3 . 25277 1 193 . 1 1 71 71 ALA C C 13 179.63 0.05 . 1 . . . A 65 ALA C . 25277 1 194 . 1 1 71 71 ALA CA C 13 53.81 0.05 . 1 . . . A 65 ALA CA . 25277 1 195 . 1 1 71 71 ALA CB C 13 18.40 0.05 . 1 . . . A 65 ALA CB . 25277 1 196 . 1 1 71 71 ALA N N 15 119.25 0.05 . 1 . . . A 65 ALA N . 25277 1 197 . 1 1 72 72 ASN H H 1 7.96 0.02 . 1 . . . A 66 ASN H . 25277 1 198 . 1 1 72 72 ASN HA H 1 5.03 0.02 . 1 . . . A 66 ASN HA . 25277 1 199 . 1 1 72 72 ASN HB2 H 1 2.81 0.02 . 1 . . . A 66 ASN HB2 . 25277 1 200 . 1 1 72 72 ASN HB3 H 1 2.94 0.02 . 1 . . . A 66 ASN HB3 . 25277 1 201 . 1 1 72 72 ASN HD21 H 1 7.69 0.02 . 1 . . . A 66 ASN HD21 . 25277 1 202 . 1 1 72 72 ASN HD22 H 1 7.14 0.02 . 1 . . . A 66 ASN HD22 . 25277 1 203 . 1 1 72 72 ASN C C 13 174.58 0.05 . 1 . . . A 66 ASN C . 25277 1 204 . 1 1 72 72 ASN CA C 13 55.55 0.05 . 1 . . . A 66 ASN CA . 25277 1 205 . 1 1 72 72 ASN CB C 13 39.93 0.05 . 1 . . . A 66 ASN CB . 25277 1 206 . 1 1 72 72 ASN N N 15 112.36 0.05 . 1 . . . A 66 ASN N . 25277 1 207 . 1 1 72 72 ASN ND2 N 15 108.89 0.05 . 1 . . . A 66 ASN ND2 . 25277 1 208 . 1 1 73 73 LEU H H 1 7.05 0.02 . 1 . . . A 67 LEU H . 25277 1 209 . 1 1 73 73 LEU HA H 1 4.65 0.02 . 1 . . . A 67 LEU HA . 25277 1 210 . 1 1 73 73 LEU HB2 H 1 1.62 0.02 . 1 . . . A 67 LEU HB2 . 25277 1 211 . 1 1 73 73 LEU HB3 H 1 1.54 0.02 . 1 . . . A 67 LEU HB3 . 25277 1 212 . 1 1 73 73 LEU HG H 1 1.67 0.02 . 1 . . . A 67 LEU HG . 25277 1 213 . 1 1 73 73 LEU HD11 H 1 0.84 0.02 . 2 . . . A 67 LEU HD11 . 25277 1 214 . 1 1 73 73 LEU HD12 H 1 0.84 0.02 . 2 . . . A 67 LEU HD12 . 25277 1 215 . 1 1 73 73 LEU HD13 H 1 0.84 0.02 . 2 . . . A 67 LEU HD13 . 25277 1 216 . 1 1 73 73 LEU HD21 H 1 0.90 0.02 . 2 . . . A 67 LEU HD21 . 25277 1 217 . 1 1 73 73 LEU HD22 H 1 0.90 0.02 . 2 . . . A 67 LEU HD22 . 25277 1 218 . 1 1 73 73 LEU HD23 H 1 0.90 0.02 . 2 . . . A 67 LEU HD23 . 25277 1 219 . 1 1 73 73 LEU C C 13 176.50 0.05 . 1 . . . A 67 LEU C . 25277 1 220 . 1 1 73 73 LEU CA C 13 54.35 0.05 . 1 . . . A 67 LEU CA . 25277 1 221 . 1 1 73 73 LEU CB C 13 44.67 0.05 . 1 . . . A 67 LEU CB . 25277 1 222 . 1 1 73 73 LEU CG C 13 28.29 0.05 . 1 . . . A 67 LEU CG . 25277 1 223 . 1 1 73 73 LEU CD1 C 13 24.09 0.05 . 2 . . . A 67 LEU CD1 . 25277 1 224 . 1 1 73 73 LEU CD2 C 13 25.58 0.05 . 2 . . . A 67 LEU CD2 . 25277 1 225 . 1 1 73 73 LEU N N 15 115.39 0.05 . 1 . . . A 67 LEU N . 25277 1 226 . 1 1 74 74 ALA H H 1 8.88 0.02 . 1 . . . A 68 ALA H . 25277 1 227 . 1 1 74 74 ALA HA H 1 3.89 0.02 . 1 . . . A 68 ALA HA . 25277 1 228 . 1 1 74 74 ALA HB1 H 1 1.25 0.02 . 1 . . . A 68 ALA HB1 . 25277 1 229 . 1 1 74 74 ALA HB2 H 1 1.25 0.02 . 1 . . . A 68 ALA HB2 . 25277 1 230 . 1 1 74 74 ALA HB3 H 1 1.25 0.02 . 1 . . . A 68 ALA HB3 . 25277 1 231 . 1 1 74 74 ALA C C 13 177.48 0.05 . 1 . . . A 68 ALA C . 25277 1 232 . 1 1 74 74 ALA CA C 13 53.55 0.05 . 1 . . . A 68 ALA CA . 25277 1 233 . 1 1 74 74 ALA CB C 13 17.15 0.05 . 1 . . . A 68 ALA CB . 25277 1 234 . 1 1 74 74 ALA N N 15 125.68 0.05 . 1 . . . A 68 ALA N . 25277 1 235 . 1 1 75 75 TYR H H 1 7.42 0.02 . 1 . . . A 69 TYR H . 25277 1 236 . 1 1 75 75 TYR HA H 1 4.49 0.02 . 1 . . . A 69 TYR HA . 25277 1 237 . 1 1 75 75 TYR HB2 H 1 3.14 0.02 . 1 . . . A 69 TYR HB2 . 25277 1 238 . 1 1 75 75 TYR HB3 H 1 3.14 0.02 . 1 . . . A 69 TYR HB3 . 25277 1 239 . 1 1 75 75 TYR HD1 H 1 7.11 0.02 . 1 . . . A 69 TYR HD1 . 25277 1 240 . 1 1 75 75 TYR HD2 H 1 7.11 0.02 . 1 . . . A 69 TYR HD2 . 25277 1 241 . 1 1 75 75 TYR HE1 H 1 6.83 0.02 . 1 . . . A 69 TYR HE1 . 25277 1 242 . 1 1 75 75 TYR HE2 H 1 6.83 0.02 . 1 . . . A 69 TYR HE2 . 25277 1 243 . 1 1 75 75 TYR C C 13 175.34 0.05 . 1 . . . A 69 TYR C . 25277 1 244 . 1 1 75 75 TYR CA C 13 58.64 0.05 . 1 . . . A 69 TYR CA . 25277 1 245 . 1 1 75 75 TYR CB C 13 37.28 0.05 . 1 . . . A 69 TYR CB . 25277 1 246 . 1 1 75 75 TYR N N 15 119.78 0.05 . 1 . . . A 69 TYR N . 25277 1 247 . 1 1 76 76 LEU H H 1 7.69 0.02 . 1 . . . A 70 LEU H . 25277 1 248 . 1 1 76 76 LEU HA H 1 4.29 0.02 . 1 . . . A 70 LEU HA . 25277 1 249 . 1 1 76 76 LEU HB2 H 1 1.56 0.02 . 1 . . . A 70 LEU HB2 . 25277 1 250 . 1 1 76 76 LEU HB3 H 1 1.56 0.02 . 1 . . . A 70 LEU HB3 . 25277 1 251 . 1 1 76 76 LEU HD11 H 1 0.84 0.02 . 1 . . . A 70 LEU HD11 . 25277 1 252 . 1 1 76 76 LEU HD12 H 1 0.84 0.02 . 1 . . . A 70 LEU HD12 . 25277 1 253 . 1 1 76 76 LEU HD13 H 1 0.84 0.02 . 1 . . . A 70 LEU HD13 . 25277 1 254 . 1 1 76 76 LEU HD21 H 1 0.80 0.02 . 1 . . . A 70 LEU HD21 . 25277 1 255 . 1 1 76 76 LEU HD22 H 1 0.80 0.02 . 1 . . . A 70 LEU HD22 . 25277 1 256 . 1 1 76 76 LEU HD23 H 1 0.80 0.02 . 1 . . . A 70 LEU HD23 . 25277 1 257 . 1 1 76 76 LEU C C 13 176.77 0.05 . 1 . . . A 70 LEU C . 25277 1 258 . 1 1 76 76 LEU CA C 13 53.88 0.05 . 1 . . . A 70 LEU CA . 25277 1 259 . 1 1 76 76 LEU CB C 13 41.30 0.05 . 1 . . . A 70 LEU CB . 25277 1 260 . 1 1 76 76 LEU CG C 13 26.72 0.05 . 1 . . . A 70 LEU CG . 25277 1 261 . 1 1 76 76 LEU CD1 C 13 25.08 0.05 . 1 . . . A 70 LEU CD1 . 25277 1 262 . 1 1 76 76 LEU CD2 C 13 23.22 0.05 . 1 . . . A 70 LEU CD2 . 25277 1 263 . 1 1 76 76 LEU N N 15 118.82 0.05 . 1 . . . A 70 LEU N . 25277 1 264 . 1 1 77 77 TRP H H 1 8.13 0.02 . 1 . . . A 71 TRP H . 25277 1 265 . 1 1 77 77 TRP HA H 1 4.59 0.02 . 1 . . . A 71 TRP HA . 25277 1 266 . 1 1 77 77 TRP HB2 H 1 3.35 0.02 . 1 . . . A 71 TRP HB2 . 25277 1 267 . 1 1 77 77 TRP HB3 H 1 3.35 0.02 . 1 . . . A 71 TRP HB3 . 25277 1 268 . 1 1 77 77 TRP HD1 H 1 7.25 0.02 . 1 . . . A 71 TRP HD1 . 25277 1 269 . 1 1 77 77 TRP HE1 H 1 10.43 0.02 . 1 . . . A 71 TRP HE1 . 25277 1 270 . 1 1 77 77 TRP HE3 H 1 7.40 0.02 . 1 . . . A 71 TRP HE3 . 25277 1 271 . 1 1 77 77 TRP HZ2 H 1 7.17 0.02 . 1 . . . A 71 TRP HZ2 . 25277 1 272 . 1 1 77 77 TRP HZ3 H 1 6.74 0.02 . 1 . . . A 71 TRP HZ3 . 25277 1 273 . 1 1 77 77 TRP HH2 H 1 7.03 0.02 . 1 . . . A 71 TRP HH2 . 25277 1 274 . 1 1 77 77 TRP CA C 13 54.15 0.05 . 1 . . . A 71 TRP CA . 25277 1 275 . 1 1 77 77 TRP CB C 13 30.21 0.05 . 1 . . . A 71 TRP CB . 25277 1 276 . 1 1 77 77 TRP N N 15 124.11 0.05 . 1 . . . A 71 TRP N . 25277 1 277 . 1 1 77 77 TRP NE1 N 15 132.21 0.05 . 1 . . . A 71 TRP NE1 . 25277 1 278 . 1 1 78 78 PRO HA H 1 4.58 0.02 . 1 . . . A 72 PRO HA . 25277 1 279 . 1 1 78 78 PRO HB2 H 1 1.89 0.02 . 1 . . . A 72 PRO HB2 . 25277 1 280 . 1 1 78 78 PRO HB3 H 1 1.68 0.02 . 1 . . . A 72 PRO HB3 . 25277 1 281 . 1 1 78 78 PRO HG2 H 1 1.78 0.02 . 2 . . . A 72 PRO HG2 . 25277 1 282 . 1 1 78 78 PRO HG3 H 1 0.84 0.02 . 2 . . . A 72 PRO HG3 . 25277 1 283 . 1 1 78 78 PRO HD2 H 1 2.05 0.02 . 1 . . . A 72 PRO HD2 . 25277 1 284 . 1 1 78 78 PRO HD3 H 1 4.06 0.02 . 1 . . . A 72 PRO HD3 . 25277 1 285 . 1 1 78 78 PRO CA C 13 63.59 0.05 . 1 . . . A 72 PRO CA . 25277 1 286 . 1 1 78 78 PRO CB C 13 31.06 0.05 . 1 . . . A 72 PRO CB . 25277 1 287 . 1 1 78 78 PRO CG C 13 27.04 0.05 . 1 . . . A 72 PRO CG . 25277 1 288 . 1 1 78 78 PRO CD C 13 48.64 0.05 . 1 . . . A 72 PRO CD . 25277 1 289 . 1 1 79 79 LEU H H 1 5.19 0.02 . 1 . . . A 73 LEU H . 25277 1 290 . 1 1 79 79 LEU HA H 1 5.40 0.02 . 1 . . . A 73 LEU HA . 25277 1 291 . 1 1 79 79 LEU HB2 H 1 1.56 0.02 . 1 . . . A 73 LEU HB2 . 25277 1 292 . 1 1 79 79 LEU HB3 H 1 1.27 0.02 . 1 . . . A 73 LEU HB3 . 25277 1 293 . 1 1 79 79 LEU HG H 1 -0.08 0.02 . 1 . . . A 73 LEU HG . 25277 1 294 . 1 1 79 79 LEU HD11 H 1 -0.67 0.02 . 1 . . . A 73 LEU HD11 . 25277 1 295 . 1 1 79 79 LEU HD12 H 1 -0.67 0.02 . 1 . . . A 73 LEU HD12 . 25277 1 296 . 1 1 79 79 LEU HD13 H 1 -0.67 0.02 . 1 . . . A 73 LEU HD13 . 25277 1 297 . 1 1 79 79 LEU HD21 H 1 -0.04 0.02 . 1 . . . A 73 LEU HD21 . 25277 1 298 . 1 1 79 79 LEU HD22 H 1 -0.04 0.02 . 1 . . . A 73 LEU HD22 . 25277 1 299 . 1 1 79 79 LEU HD23 H 1 -0.04 0.02 . 1 . . . A 73 LEU HD23 . 25277 1 300 . 1 1 79 79 LEU C C 13 176.62 0.05 . 1 . . . A 73 LEU C . 25277 1 301 . 1 1 79 79 LEU CA C 13 53.05 0.05 . 1 . . . A 73 LEU CA . 25277 1 302 . 1 1 79 79 LEU CB C 13 44.26 0.05 . 1 . . . A 73 LEU CB . 25277 1 303 . 1 1 79 79 LEU CG C 13 27.15 0.05 . 1 . . . A 73 LEU CG . 25277 1 304 . 1 1 79 79 LEU CD1 C 13 24.60 0.05 . 1 . . . A 73 LEU CD1 . 25277 1 305 . 1 1 79 79 LEU CD2 C 13 21.24 0.05 . 1 . . . A 73 LEU CD2 . 25277 1 306 . 1 1 79 79 LEU N N 15 118.76 0.05 . 1 . . . A 73 LEU N . 25277 1 307 . 1 1 80 80 THR H H 1 9.01 0.02 . 1 . . . A 74 THR H . 25277 1 308 . 1 1 80 80 THR HA H 1 4.25 0.02 . 1 . . . A 74 THR HA . 25277 1 309 . 1 1 80 80 THR HB H 1 4.38 0.02 . 1 . . . A 74 THR HB . 25277 1 310 . 1 1 80 80 THR HG21 H 1 0.98 0.02 . 1 . . . A 74 THR HG21 . 25277 1 311 . 1 1 80 80 THR HG22 H 1 0.98 0.02 . 1 . . . A 74 THR HG22 . 25277 1 312 . 1 1 80 80 THR HG23 H 1 0.98 0.02 . 1 . . . A 74 THR HG23 . 25277 1 313 . 1 1 80 80 THR C C 13 176.08 0.05 . 1 . . . A 74 THR C . 25277 1 314 . 1 1 80 80 THR CA C 13 62.69 0.05 . 1 . . . A 74 THR CA . 25277 1 315 . 1 1 80 80 THR CB C 13 67.93 0.05 . 1 . . . A 74 THR CB . 25277 1 316 . 1 1 80 80 THR CG2 C 13 21.68 0.05 . 1 . . . A 74 THR CG2 . 25277 1 317 . 1 1 80 80 THR N N 15 110.12 0.05 . 1 . . . A 74 THR N . 25277 1 318 . 1 1 81 81 VAL H H 1 6.66 0.02 . 1 . . . A 75 VAL H . 25277 1 319 . 1 1 81 81 VAL HA H 1 4.81 0.02 . 1 . . . A 75 VAL HA . 25277 1 320 . 1 1 81 81 VAL HB H 1 2.38 0.02 . 1 . . . A 75 VAL HB . 25277 1 321 . 1 1 81 81 VAL HG11 H 1 1.17 0.02 . 1 . . . A 75 VAL HG11 . 25277 1 322 . 1 1 81 81 VAL HG12 H 1 1.17 0.02 . 1 . . . A 75 VAL HG12 . 25277 1 323 . 1 1 81 81 VAL HG13 H 1 1.17 0.02 . 1 . . . A 75 VAL HG13 . 25277 1 324 . 1 1 81 81 VAL HG21 H 1 1.14 0.02 . 1 . . . A 75 VAL HG21 . 25277 1 325 . 1 1 81 81 VAL HG22 H 1 1.14 0.02 . 1 . . . A 75 VAL HG22 . 25277 1 326 . 1 1 81 81 VAL HG23 H 1 1.14 0.02 . 1 . . . A 75 VAL HG23 . 25277 1 327 . 1 1 81 81 VAL C C 13 176.01 0.05 . 1 . . . A 75 VAL C . 25277 1 328 . 1 1 81 81 VAL CA C 13 59.10 0.05 . 1 . . . A 75 VAL CA . 25277 1 329 . 1 1 81 81 VAL CB C 13 33.22 0.05 . 1 . . . A 75 VAL CB . 25277 1 330 . 1 1 81 81 VAL CG1 C 13 21.86 0.05 . 1 . . . A 75 VAL CG1 . 25277 1 331 . 1 1 81 81 VAL CG2 C 13 20.29 0.05 . 1 . . . A 75 VAL CG2 . 25277 1 332 . 1 1 81 81 VAL N N 15 113.03 0.05 . 1 . . . A 75 VAL N . 25277 1 333 . 1 1 82 82 ASP H H 1 8.77 0.02 . 1 . . . A 76 ASP H . 25277 1 334 . 1 1 82 82 ASP HA H 1 4.49 0.02 . 1 . . . A 76 ASP HA . 25277 1 335 . 1 1 82 82 ASP HB2 H 1 2.84 0.02 . 2 . . . A 76 ASP HB2 . 25277 1 336 . 1 1 82 82 ASP HB3 H 1 2.67 0.02 . 2 . . . A 76 ASP HB3 . 25277 1 337 . 1 1 82 82 ASP C C 13 175.06 0.05 . 1 . . . A 76 ASP C . 25277 1 338 . 1 1 82 82 ASP CA C 13 55.11 0.05 . 1 . . . A 76 ASP CA . 25277 1 339 . 1 1 82 82 ASP CB C 13 41.30 0.05 . 1 . . . A 76 ASP CB . 25277 1 340 . 1 1 82 82 ASP N N 15 119.59 0.05 . 1 . . . A 76 ASP N . 25277 1 341 . 1 1 83 83 HIS H H 1 7.65 0.02 . 1 . . . A 77 HIS H . 25277 1 342 . 1 1 83 83 HIS HA H 1 5.09 0.02 . 1 . . . A 77 HIS HA . 25277 1 343 . 1 1 83 83 HIS HB2 H 1 3.47 0.02 . 1 . . . A 77 HIS HB2 . 25277 1 344 . 1 1 83 83 HIS HB3 H 1 3.26 0.02 . 1 . . . A 77 HIS HB3 . 25277 1 345 . 1 1 83 83 HIS HD2 H 1 7.18 0.02 . 1 . . . A 77 HIS HD2 . 25277 1 346 . 1 1 83 83 HIS C C 13 171.37 0.05 . 1 . . . A 77 HIS C . 25277 1 347 . 1 1 83 83 HIS CA C 13 55.59 0.05 . 1 . . . A 77 HIS CA . 25277 1 348 . 1 1 83 83 HIS CB C 13 30.19 0.05 . 1 . . . A 77 HIS CB . 25277 1 349 . 1 1 83 83 HIS N N 15 113.30 0.05 . 1 . . . A 77 HIS N . 25277 1 350 . 1 1 84 84 GLY H H 1 8.45 0.02 . 1 . . . A 78 GLY H . 25277 1 351 . 1 1 84 84 GLY HA2 H 1 4.16 0.02 . 1 . . . A 78 GLY HA2 . 25277 1 352 . 1 1 84 84 GLY HA3 H 1 3.77 0.02 . 1 . . . A 78 GLY HA3 . 25277 1 353 . 1 1 84 84 GLY C C 13 172.11 0.05 . 1 . . . A 78 GLY C . 25277 1 354 . 1 1 84 84 GLY CA C 13 45.81 0.05 . 1 . . . A 78 GLY CA . 25277 1 355 . 1 1 84 84 GLY N N 15 101.35 0.05 . 1 . . . A 78 GLY N . 25277 1 356 . 1 1 85 85 THR H H 1 8.08 0.02 . 1 . . . A 79 THR H . 25277 1 357 . 1 1 85 85 THR HA H 1 5.11 0.02 . 1 . . . A 79 THR HA . 25277 1 358 . 1 1 85 85 THR HB H 1 3.51 0.02 . 1 . . . A 79 THR HB . 25277 1 359 . 1 1 85 85 THR HG21 H 1 1.04 0.02 . 1 . . . A 79 THR HG21 . 25277 1 360 . 1 1 85 85 THR HG22 H 1 1.04 0.02 . 1 . . . A 79 THR HG22 . 25277 1 361 . 1 1 85 85 THR HG23 H 1 1.04 0.02 . 1 . . . A 79 THR HG23 . 25277 1 362 . 1 1 85 85 THR C C 13 172.92 0.05 . 1 . . . A 79 THR C . 25277 1 363 . 1 1 85 85 THR CA C 13 61.48 0.05 . 1 . . . A 79 THR CA . 25277 1 364 . 1 1 85 85 THR CB C 13 72.13 0.05 . 1 . . . A 79 THR CB . 25277 1 365 . 1 1 85 85 THR CG2 C 13 21.82 0.05 . 1 . . . A 79 THR CG2 . 25277 1 366 . 1 1 85 85 THR N N 15 120.23 0.05 . 1 . . . A 79 THR N . 25277 1 367 . 1 1 86 86 ILE H H 1 8.97 0.02 . 1 . . . A 80 ILE H . 25277 1 368 . 1 1 86 86 ILE HA H 1 5.14 0.02 . 1 . . . A 80 ILE HA . 25277 1 369 . 1 1 86 86 ILE HB H 1 2.11 0.02 . 1 . . . A 80 ILE HB . 25277 1 370 . 1 1 86 86 ILE HG12 H 1 1.82 0.02 . 2 . . . A 80 ILE HG12 . 25277 1 371 . 1 1 86 86 ILE HG13 H 1 1.07 0.02 . 2 . . . A 80 ILE HG13 . 25277 1 372 . 1 1 86 86 ILE HG21 H 1 1.04 0.02 . 1 . . . A 80 ILE HG21 . 25277 1 373 . 1 1 86 86 ILE HG22 H 1 1.04 0.02 . 1 . . . A 80 ILE HG22 . 25277 1 374 . 1 1 86 86 ILE HG23 H 1 1.04 0.02 . 1 . . . A 80 ILE HG23 . 25277 1 375 . 1 1 86 86 ILE HD11 H 1 0.75 0.02 . 1 . . . A 80 ILE HD11 . 25277 1 376 . 1 1 86 86 ILE HD12 H 1 0.75 0.02 . 1 . . . A 80 ILE HD12 . 25277 1 377 . 1 1 86 86 ILE HD13 H 1 0.75 0.02 . 1 . . . A 80 ILE HD13 . 25277 1 378 . 1 1 86 86 ILE C C 13 174.34 0.05 . 1 . . . A 80 ILE C . 25277 1 379 . 1 1 86 86 ILE CA C 13 59.35 0.05 . 1 . . . A 80 ILE CA . 25277 1 380 . 1 1 86 86 ILE CB C 13 39.55 0.05 . 1 . . . A 80 ILE CB . 25277 1 381 . 1 1 86 86 ILE CG1 C 13 25.75 0.05 . 1 . . . A 80 ILE CG1 . 25277 1 382 . 1 1 86 86 ILE CG2 C 13 21.57 0.05 . 1 . . . A 80 ILE CG2 . 25277 1 383 . 1 1 86 86 ILE CD1 C 13 14.25 0.05 . 1 . . . A 80 ILE CD1 . 25277 1 384 . 1 1 86 86 ILE N N 15 119.62 0.05 . 1 . . . A 80 ILE N . 25277 1 385 . 1 1 87 87 GLU H H 1 8.35 0.02 . 1 . . . A 81 GLU H . 25277 1 386 . 1 1 87 87 GLU HA H 1 5.00 0.02 . 1 . . . A 81 GLU HA . 25277 1 387 . 1 1 87 87 GLU HB2 H 1 1.60 0.02 . 1 . . . A 81 GLU HB2 . 25277 1 388 . 1 1 87 87 GLU HB3 H 1 1.60 0.02 . 1 . . . A 81 GLU HB3 . 25277 1 389 . 1 1 87 87 GLU HG2 H 1 1.98 0.02 . 2 . . . A 81 GLU HG2 . 25277 1 390 . 1 1 87 87 GLU HG3 H 1 1.72 0.02 . 2 . . . A 81 GLU HG3 . 25277 1 391 . 1 1 87 87 GLU C C 13 176.13 0.05 . 1 . . . A 81 GLU C . 25277 1 392 . 1 1 87 87 GLU CA C 13 54.56 0.05 . 1 . . . A 81 GLU CA . 25277 1 393 . 1 1 87 87 GLU CB C 13 33.39 0.05 . 1 . . . A 81 GLU CB . 25277 1 394 . 1 1 87 87 GLU CG C 13 35.83 0.05 . 1 . . . A 81 GLU CG . 25277 1 395 . 1 1 87 87 GLU N N 15 119.96 0.05 . 1 . . . A 81 GLU N . 25277 1 396 . 1 1 88 88 CYS H H 1 8.22 0.02 . 1 . . . A 82 CYS H . 25277 1 397 . 1 1 88 88 CYS HA H 1 4.93 0.02 . 1 . . . A 82 CYS HA . 25277 1 398 . 1 1 88 88 CYS HB2 H 1 3.13 0.02 . 2 . . . A 82 CYS HB2 . 25277 1 399 . 1 1 88 88 CYS HB3 H 1 3.03 0.02 . 2 . . . A 82 CYS HB3 . 25277 1 400 . 1 1 88 88 CYS C C 13 174.43 0.05 . 1 . . . A 82 CYS C . 25277 1 401 . 1 1 88 88 CYS CA C 13 54.24 0.05 . 1 . . . A 82 CYS CA . 25277 1 402 . 1 1 88 88 CYS CB C 13 43.72 0.05 . 1 . . . A 82 CYS CB . 25277 1 403 . 1 1 88 88 CYS N N 15 123.11 0.05 . 1 . . . A 82 CYS N . 25277 1 404 . 1 1 89 89 LEU H H 1 8.91 0.02 . 1 . . . A 83 LEU H . 25277 1 405 . 1 1 89 89 LEU HA H 1 4.53 0.02 . 1 . . . A 83 LEU HA . 25277 1 406 . 1 1 89 89 LEU HB2 H 1 1.74 0.02 . 1 . . . A 83 LEU HB2 . 25277 1 407 . 1 1 89 89 LEU HB3 H 1 1.67 0.02 . 1 . . . A 83 LEU HB3 . 25277 1 408 . 1 1 89 89 LEU HG H 1 1.46 0.02 . 1 . . . A 83 LEU HG . 25277 1 409 . 1 1 89 89 LEU HD11 H 1 0.74 0.02 . 1 . . . A 83 LEU HD11 . 25277 1 410 . 1 1 89 89 LEU HD12 H 1 0.74 0.02 . 1 . . . A 83 LEU HD12 . 25277 1 411 . 1 1 89 89 LEU HD13 H 1 0.74 0.02 . 1 . . . A 83 LEU HD13 . 25277 1 412 . 1 1 89 89 LEU HD21 H 1 0.77 0.02 . 1 . . . A 83 LEU HD21 . 25277 1 413 . 1 1 89 89 LEU HD22 H 1 0.77 0.02 . 1 . . . A 83 LEU HD22 . 25277 1 414 . 1 1 89 89 LEU HD23 H 1 0.77 0.02 . 1 . . . A 83 LEU HD23 . 25277 1 415 . 1 1 89 89 LEU CA C 13 53.90 0.05 . 1 . . . A 83 LEU CA . 25277 1 416 . 1 1 89 89 LEU CB C 13 40.20 0.05 . 1 . . . A 83 LEU CB . 25277 1 417 . 1 1 89 89 LEU CG C 13 27.52 0.05 . 1 . . . A 83 LEU CG . 25277 1 418 . 1 1 89 89 LEU CD1 C 13 25.77 0.05 . 1 . . . A 83 LEU CD1 . 25277 1 419 . 1 1 89 89 LEU CD2 C 13 22.56 0.05 . 1 . . . A 83 LEU CD2 . 25277 1 420 . 1 1 89 89 LEU N N 15 131.66 0.05 . 1 . . . A 83 LEU N . 25277 1 421 . 1 1 90 90 PRO HA H 1 4.37 0.02 . 1 . . . A 84 PRO HA . 25277 1 422 . 1 1 90 90 PRO HB2 H 1 2.00 0.02 . 2 . . . A 84 PRO HB2 . 25277 1 423 . 1 1 90 90 PRO HB3 H 1 1.89 0.02 . 2 . . . A 84 PRO HB3 . 25277 1 424 . 1 1 90 90 PRO HG3 H 1 2.23 0.02 . 2 . . . A 84 PRO HG3 . 25277 1 425 . 1 1 90 90 PRO HD2 H 1 3.79 0.02 . 2 . . . A 84 PRO HD2 . 25277 1 426 . 1 1 90 90 PRO HD3 H 1 3.70 0.02 . 2 . . . A 84 PRO HD3 . 25277 1 427 . 1 1 90 90 PRO CA C 13 63.19 0.05 . 1 . . . A 84 PRO CA . 25277 1 428 . 1 1 90 90 PRO CB C 13 31.93 0.05 . 1 . . . A 84 PRO CB . 25277 1 429 . 1 1 90 90 PRO CG C 13 27.20 0.05 . 1 . . . A 84 PRO CG . 25277 1 430 . 1 1 90 90 PRO CD C 13 50.61 0.05 . 1 . . . A 84 PRO CD . 25277 1 431 . 1 1 91 91 SER H H 1 7.66 0.02 . 1 . . . A 85 SER H . 25277 1 432 . 1 1 91 91 SER HA H 1 3.87 0.02 . 1 . . . A 85 SER HA . 25277 1 433 . 1 1 91 91 SER HB2 H 1 4.09 0.02 . 2 . . . A 85 SER HB2 . 25277 1 434 . 1 1 91 91 SER HB3 H 1 3.96 0.02 . 2 . . . A 85 SER HB3 . 25277 1 435 . 1 1 91 91 SER C C 13 174.35 0.05 . 1 . . . A 85 SER C . 25277 1 436 . 1 1 91 91 SER CA C 13 58.97 0.05 . 1 . . . A 85 SER CA . 25277 1 437 . 1 1 91 91 SER CB C 13 63.82 0.05 . 1 . . . A 85 SER CB . 25277 1 438 . 1 1 91 91 SER N N 15 117.62 0.05 . 1 . . . A 85 SER N . 25277 1 439 . 1 1 92 92 ASP H H 1 8.49 0.02 . 1 . . . A 86 ASP H . 25277 1 440 . 1 1 92 92 ASP HA H 1 4.14 0.02 . 1 . . . A 86 ASP HA . 25277 1 441 . 1 1 92 92 ASP HB2 H 1 2.70 0.02 . 1 . . . A 86 ASP HB2 . 25277 1 442 . 1 1 92 92 ASP HB3 H 1 2.70 0.02 . 1 . . . A 86 ASP HB3 . 25277 1 443 . 1 1 92 92 ASP C C 13 174.48 0.05 . 1 . . . A 86 ASP C . 25277 1 444 . 1 1 92 92 ASP CA C 13 54.98 0.05 . 1 . . . A 86 ASP CA . 25277 1 445 . 1 1 92 92 ASP CB C 13 37.85 0.05 . 1 . . . A 86 ASP CB . 25277 1 446 . 1 1 92 92 ASP N N 15 117.59 0.05 . 1 . . . A 86 ASP N . 25277 1 447 . 1 1 93 93 ASN H H 1 7.26 0.02 . 1 . . . A 87 ASN H . 25277 1 448 . 1 1 93 93 ASN HA H 1 4.53 0.02 . 1 . . . A 87 ASN HA . 25277 1 449 . 1 1 93 93 ASN HB2 H 1 2.55 0.02 . 1 . . . A 87 ASN HB2 . 25277 1 450 . 1 1 93 93 ASN HB3 H 1 2.07 0.02 . 1 . . . A 87 ASN HB3 . 25277 1 451 . 1 1 93 93 ASN HD21 H 1 6.58 0.02 . 1 . . . A 87 ASN HD21 . 25277 1 452 . 1 1 93 93 ASN HD22 H 1 6.48 0.02 . 1 . . . A 87 ASN HD22 . 25277 1 453 . 1 1 93 93 ASN CA C 13 52.48 0.05 . 1 . . . A 87 ASN CA . 25277 1 454 . 1 1 93 93 ASN CB C 13 40.04 0.05 . 1 . . . A 87 ASN CB . 25277 1 455 . 1 1 93 93 ASN N N 15 117.16 0.05 . 1 . . . A 87 ASN N . 25277 1 456 . 1 1 93 93 ASN ND2 N 15 106.80 0.05 . 1 . . . A 87 ASN ND2 . 25277 1 457 . 1 1 94 94 ALA HA H 1 4.73 0.02 . 1 . . . A 88 ALA HA . 25277 1 458 . 1 1 94 94 ALA HB1 H 1 1.04 0.02 . 1 . . . A 88 ALA HB1 . 25277 1 459 . 1 1 94 94 ALA HB2 H 1 1.04 0.02 . 1 . . . A 88 ALA HB2 . 25277 1 460 . 1 1 94 94 ALA HB3 H 1 1.04 0.02 . 1 . . . A 88 ALA HB3 . 25277 1 461 . 1 1 94 94 ALA C C 13 174.62 0.05 . 1 . . . A 88 ALA C . 25277 1 462 . 1 1 94 94 ALA CA C 13 51.23 0.05 . 1 . . . A 88 ALA CA . 25277 1 463 . 1 1 94 94 ALA CB C 13 20.54 0.05 . 1 . . . A 88 ALA CB . 25277 1 464 . 1 1 95 95 VAL H H 1 8.74 0.02 . 1 . . . A 89 VAL H . 25277 1 465 . 1 1 95 95 VAL HA H 1 5.10 0.02 . 1 . . . A 89 VAL HA . 25277 1 466 . 1 1 95 95 VAL HB H 1 1.78 0.02 . 1 . . . A 89 VAL HB . 25277 1 467 . 1 1 95 95 VAL HG11 H 1 0.03 0.02 . 1 . . . A 89 VAL HG11 . 25277 1 468 . 1 1 95 95 VAL HG12 H 1 0.03 0.02 . 1 . . . A 89 VAL HG12 . 25277 1 469 . 1 1 95 95 VAL HG13 H 1 0.03 0.02 . 1 . . . A 89 VAL HG13 . 25277 1 470 . 1 1 95 95 VAL HG21 H 1 0.49 0.02 . 1 . . . A 89 VAL HG21 . 25277 1 471 . 1 1 95 95 VAL HG22 H 1 0.49 0.02 . 1 . . . A 89 VAL HG22 . 25277 1 472 . 1 1 95 95 VAL HG23 H 1 0.49 0.02 . 1 . . . A 89 VAL HG23 . 25277 1 473 . 1 1 95 95 VAL C C 13 172.75 0.05 . 1 . . . A 89 VAL C . 25277 1 474 . 1 1 95 95 VAL CA C 13 58.98 0.05 . 1 . . . A 89 VAL CA . 25277 1 475 . 1 1 95 95 VAL CB C 13 36.22 0.05 . 1 . . . A 89 VAL CB . 25277 1 476 . 1 1 95 95 VAL CG1 C 13 20.57 0.05 . 1 . . . A 89 VAL CG1 . 25277 1 477 . 1 1 95 95 VAL CG2 C 13 18.04 0.05 . 1 . . . A 89 VAL CG2 . 25277 1 478 . 1 1 95 95 VAL N N 15 116.58 0.05 . 1 . . . A 89 VAL N . 25277 1 479 . 1 1 96 96 PHE H H 1 8.95 0.02 . 1 . . . A 90 PHE H . 25277 1 480 . 1 1 96 96 PHE HA H 1 5.15 0.02 . 1 . . . A 90 PHE HA . 25277 1 481 . 1 1 96 96 PHE HB2 H 1 2.58 0.02 . 1 . . . A 90 PHE HB2 . 25277 1 482 . 1 1 96 96 PHE HB3 H 1 2.68 0.02 . 1 . . . A 90 PHE HB3 . 25277 1 483 . 1 1 96 96 PHE HD1 H 1 6.92 0.02 . 1 . . . A 90 PHE HD1 . 25277 1 484 . 1 1 96 96 PHE HD2 H 1 6.92 0.02 . 1 . . . A 90 PHE HD2 . 25277 1 485 . 1 1 96 96 PHE HE1 H 1 6.82 0.02 . 1 . . . A 90 PHE HE1 . 25277 1 486 . 1 1 96 96 PHE HE2 H 1 6.82 0.02 . 1 . . . A 90 PHE HE2 . 25277 1 487 . 1 1 96 96 PHE HZ H 1 7.03 0.02 . 1 . . . A 90 PHE HZ . 25277 1 488 . 1 1 96 96 PHE C C 13 172.91 0.05 . 1 . . . A 90 PHE C . 25277 1 489 . 1 1 96 96 PHE CA C 13 55.80 0.05 . 1 . . . A 90 PHE CA . 25277 1 490 . 1 1 96 96 PHE CB C 13 43.65 0.05 . 1 . . . A 90 PHE CB . 25277 1 491 . 1 1 96 96 PHE N N 15 120.30 0.05 . 1 . . . A 90 PHE N . 25277 1 492 . 1 1 97 97 VAL H H 1 9.09 0.02 . 1 . . . A 91 VAL H . 25277 1 493 . 1 1 97 97 VAL HA H 1 4.46 0.02 . 1 . . . A 91 VAL HA . 25277 1 494 . 1 1 97 97 VAL HB H 1 1.67 0.02 . 1 . . . A 91 VAL HB . 25277 1 495 . 1 1 97 97 VAL HG11 H 1 0.66 0.02 . 1 . . . A 91 VAL HG11 . 25277 1 496 . 1 1 97 97 VAL HG12 H 1 0.66 0.02 . 1 . . . A 91 VAL HG12 . 25277 1 497 . 1 1 97 97 VAL HG13 H 1 0.66 0.02 . 1 . . . A 91 VAL HG13 . 25277 1 498 . 1 1 97 97 VAL HG21 H 1 0.66 0.02 . 1 . . . A 91 VAL HG21 . 25277 1 499 . 1 1 97 97 VAL HG22 H 1 0.66 0.02 . 1 . . . A 91 VAL HG22 . 25277 1 500 . 1 1 97 97 VAL HG23 H 1 0.66 0.02 . 1 . . . A 91 VAL HG23 . 25277 1 501 . 1 1 97 97 VAL C C 13 175.91 0.05 . 1 . . . A 91 VAL C . 25277 1 502 . 1 1 97 97 VAL CA C 13 60.78 0.05 . 1 . . . A 91 VAL CA . 25277 1 503 . 1 1 97 97 VAL CB C 13 32.02 0.05 . 1 . . . A 91 VAL CB . 25277 1 504 . 1 1 97 97 VAL CG1 C 13 20.31 0.05 . 1 . . . A 91 VAL CG1 . 25277 1 505 . 1 1 97 97 VAL CG2 C 13 19.70 0.05 . 1 . . . A 91 VAL CG2 . 25277 1 506 . 1 1 97 97 VAL N N 15 129.02 0.05 . 1 . . . A 91 VAL N . 25277 1 507 . 1 1 98 98 ALA H H 1 8.68 0.02 . 1 . . . A 92 ALA H . 25277 1 508 . 1 1 98 98 ALA HA H 1 4.50 0.02 . 1 . . . A 92 ALA HA . 25277 1 509 . 1 1 98 98 ALA HB1 H 1 1.88 0.02 . 1 . . . A 92 ALA HB1 . 25277 1 510 . 1 1 98 98 ALA HB2 H 1 1.88 0.02 . 1 . . . A 92 ALA HB2 . 25277 1 511 . 1 1 98 98 ALA HB3 H 1 1.88 0.02 . 1 . . . A 92 ALA HB3 . 25277 1 512 . 1 1 98 98 ALA CA C 13 50.85 0.05 . 1 . . . A 92 ALA CA . 25277 1 513 . 1 1 98 98 ALA CB C 13 18.05 0.05 . 1 . . . A 92 ALA CB . 25277 1 514 . 1 1 98 98 ALA N N 15 129.76 0.05 . 1 . . . A 92 ALA N . 25277 1 515 . 1 1 99 99 PRO HA H 1 4.16 0.02 . 1 . . . A 93 PRO HA . 25277 1 516 . 1 1 99 99 PRO HB2 H 1 1.86 0.02 . 1 . . . A 93 PRO HB2 . 25277 1 517 . 1 1 99 99 PRO HB3 H 1 2.32 0.02 . 1 . . . A 93 PRO HB3 . 25277 1 518 . 1 1 99 99 PRO HG2 H 1 1.78 0.02 . 2 . . . A 93 PRO HG2 . 25277 1 519 . 1 1 99 99 PRO HG3 H 1 0.97 0.02 . 2 . . . A 93 PRO HG3 . 25277 1 520 . 1 1 99 99 PRO HD2 H 1 3.88 0.02 . 1 . . . A 93 PRO HD2 . 25277 1 521 . 1 1 99 99 PRO HD3 H 1 4.24 0.02 . 1 . . . A 93 PRO HD3 . 25277 1 522 . 1 1 99 99 PRO CA C 13 65.40 0.05 . 1 . . . A 93 PRO CA . 25277 1 523 . 1 1 99 99 PRO CB C 13 31.94 0.05 . 1 . . . A 93 PRO CB . 25277 1 524 . 1 1 99 99 PRO CG C 13 28.20 0.05 . 1 . . . A 93 PRO CG . 25277 1 525 . 1 1 99 99 PRO CD C 13 50.69 0.05 . 1 . . . A 93 PRO CD . 25277 1 526 . 1 1 100 100 ASP H H 1 7.89 0.02 . 1 . . . A 94 ASP H . 25277 1 527 . 1 1 100 100 ASP HA H 1 4.42 0.02 . 1 . . . A 94 ASP HA . 25277 1 528 . 1 1 100 100 ASP HB2 H 1 3.00 0.02 . 1 . . . A 94 ASP HB2 . 25277 1 529 . 1 1 100 100 ASP HB3 H 1 2.62 0.02 . 1 . . . A 94 ASP HB3 . 25277 1 530 . 1 1 100 100 ASP C C 13 176.98 0.05 . 1 . . . A 94 ASP C . 25277 1 531 . 1 1 100 100 ASP CA C 13 53.53 0.05 . 1 . . . A 94 ASP CA . 25277 1 532 . 1 1 100 100 ASP CB C 13 39.58 0.05 . 1 . . . A 94 ASP CB . 25277 1 533 . 1 1 100 100 ASP N N 15 113.22 0.05 . 1 . . . A 94 ASP N . 25277 1 534 . 1 1 101 101 GLY H H 1 8.50 0.02 . 1 . . . A 95 GLY H . 25277 1 535 . 1 1 101 101 GLY HA2 H 1 3.37 0.02 . 1 . . . A 95 GLY HA2 . 25277 1 536 . 1 1 101 101 GLY HA3 H 1 4.20 0.02 . 1 . . . A 95 GLY HA3 . 25277 1 537 . 1 1 101 101 GLY C C 13 174.44 0.05 . 1 . . . A 95 GLY C . 25277 1 538 . 1 1 101 101 GLY CA C 13 44.56 0.05 . 1 . . . A 95 GLY CA . 25277 1 539 . 1 1 101 101 GLY N N 15 109.12 0.05 . 1 . . . A 95 GLY N . 25277 1 540 . 1 1 102 102 THR H H 1 8.10 0.02 . 1 . . . A 96 THR H . 25277 1 541 . 1 1 102 102 THR HA H 1 3.78 0.02 . 1 . . . A 96 THR HA . 25277 1 542 . 1 1 102 102 THR HB H 1 3.88 0.02 . 1 . . . A 96 THR HB . 25277 1 543 . 1 1 102 102 THR HG21 H 1 0.46 0.02 . 1 . . . A 96 THR HG21 . 25277 1 544 . 1 1 102 102 THR HG22 H 1 0.46 0.02 . 1 . . . A 96 THR HG22 . 25277 1 545 . 1 1 102 102 THR HG23 H 1 0.46 0.02 . 1 . . . A 96 THR HG23 . 25277 1 546 . 1 1 102 102 THR C C 13 172.59 0.05 . 1 . . . A 96 THR C . 25277 1 547 . 1 1 102 102 THR CA C 13 64.66 0.05 . 1 . . . A 96 THR CA . 25277 1 548 . 1 1 102 102 THR CB C 13 68.33 0.05 . 1 . . . A 96 THR CB . 25277 1 549 . 1 1 102 102 THR CG2 C 13 20.50 0.05 . 1 . . . A 96 THR CG2 . 25277 1 550 . 1 1 102 102 THR N N 15 120.35 0.05 . 1 . . . A 96 THR N . 25277 1 551 . 1 1 103 103 THR H H 1 7.85 0.02 . 1 . . . A 97 THR H . 25277 1 552 . 1 1 103 103 THR HA H 1 4.59 0.02 . 1 . . . A 97 THR HA . 25277 1 553 . 1 1 103 103 THR HB H 1 3.92 0.02 . 1 . . . A 97 THR HB . 25277 1 554 . 1 1 103 103 THR HG21 H 1 0.76 0.02 . 1 . . . A 97 THR HG21 . 25277 1 555 . 1 1 103 103 THR HG22 H 1 0.76 0.02 . 1 . . . A 97 THR HG22 . 25277 1 556 . 1 1 103 103 THR HG23 H 1 0.76 0.02 . 1 . . . A 97 THR HG23 . 25277 1 557 . 1 1 103 103 THR C C 13 173.00 0.05 . 1 . . . A 97 THR C . 25277 1 558 . 1 1 103 103 THR CA C 13 62.70 0.05 . 1 . . . A 97 THR CA . 25277 1 559 . 1 1 103 103 THR CB C 13 68.84 0.05 . 1 . . . A 97 THR CB . 25277 1 560 . 1 1 103 103 THR CG2 C 13 21.32 0.05 . 1 . . . A 97 THR CG2 . 25277 1 561 . 1 1 103 103 THR N N 15 122.66 0.05 . 1 . . . A 97 THR N . 25277 1 562 . 1 1 104 104 TYR H H 1 9.46 0.02 . 1 . . . A 98 TYR H . 25277 1 563 . 1 1 104 104 TYR HA H 1 4.94 0.02 . 1 . . . A 98 TYR HA . 25277 1 564 . 1 1 104 104 TYR HB2 H 1 2.73 0.02 . 1 . . . A 98 TYR HB2 . 25277 1 565 . 1 1 104 104 TYR HB3 H 1 2.73 0.02 . 1 . . . A 98 TYR HB3 . 25277 1 566 . 1 1 104 104 TYR HD1 H 1 7.08 0.02 . 1 . . . A 98 TYR HD1 . 25277 1 567 . 1 1 104 104 TYR HD2 H 1 7.08 0.02 . 1 . . . A 98 TYR HD2 . 25277 1 568 . 1 1 104 104 TYR HE1 H 1 6.66 0.02 . 1 . . . A 98 TYR HE1 . 25277 1 569 . 1 1 104 104 TYR HE2 H 1 6.66 0.02 . 1 . . . A 98 TYR HE2 . 25277 1 570 . 1 1 104 104 TYR C C 13 178.97 0.05 . 1 . . . A 98 TYR C . 25277 1 571 . 1 1 104 104 TYR CA C 13 56.51 0.05 . 1 . . . A 98 TYR CA . 25277 1 572 . 1 1 104 104 TYR CB C 13 42.95 0.05 . 1 . . . A 98 TYR CB . 25277 1 573 . 1 1 104 104 TYR N N 15 122.89 0.05 . 1 . . . A 98 TYR N . 25277 1 574 . 1 1 105 105 ALA H H 1 9.11 0.02 . 1 . . . A 99 ALA H . 25277 1 575 . 1 1 105 105 ALA HA H 1 4.11 0.02 . 1 . . . A 99 ALA HA . 25277 1 576 . 1 1 105 105 ALA HB1 H 1 1.34 0.02 . 1 . . . A 99 ALA HB1 . 25277 1 577 . 1 1 105 105 ALA HB2 H 1 1.34 0.02 . 1 . . . A 99 ALA HB2 . 25277 1 578 . 1 1 105 105 ALA HB3 H 1 1.34 0.02 . 1 . . . A 99 ALA HB3 . 25277 1 579 . 1 1 105 105 ALA C C 13 178.01 0.05 . 1 . . . A 99 ALA C . 25277 1 580 . 1 1 105 105 ALA CA C 13 52.27 0.05 . 1 . . . A 99 ALA CA . 25277 1 581 . 1 1 105 105 ALA CB C 13 22.05 0.05 . 1 . . . A 99 ALA CB . 25277 1 582 . 1 1 105 105 ALA N N 15 121.76 0.05 . 1 . . . A 99 ALA N . 25277 1 583 . 1 1 106 106 LEU H H 1 8.95 0.02 . 1 . . . A 100 LEU H . 25277 1 584 . 1 1 106 106 LEU HA H 1 4.47 0.02 . 1 . . . A 100 LEU HA . 25277 1 585 . 1 1 106 106 LEU HB2 H 1 1.33 0.02 . 1 . . . A 100 LEU HB2 . 25277 1 586 . 1 1 106 106 LEU HB3 H 1 1.26 0.02 . 1 . . . A 100 LEU HB3 . 25277 1 587 . 1 1 106 106 LEU HD11 H 1 0.69 0.02 . 1 . . . A 100 LEU HD11 . 25277 1 588 . 1 1 106 106 LEU HD12 H 1 0.69 0.02 . 1 . . . A 100 LEU HD12 . 25277 1 589 . 1 1 106 106 LEU HD13 H 1 0.69 0.02 . 1 . . . A 100 LEU HD13 . 25277 1 590 . 1 1 106 106 LEU HD21 H 1 0.61 0.02 . 1 . . . A 100 LEU HD21 . 25277 1 591 . 1 1 106 106 LEU HD22 H 1 0.61 0.02 . 1 . . . A 100 LEU HD22 . 25277 1 592 . 1 1 106 106 LEU HD23 H 1 0.61 0.02 . 1 . . . A 100 LEU HD23 . 25277 1 593 . 1 1 106 106 LEU C C 13 174.72 0.05 . 1 . . . A 100 LEU C . 25277 1 594 . 1 1 106 106 LEU CA C 13 54.14 0.05 . 1 . . . A 100 LEU CA . 25277 1 595 . 1 1 106 106 LEU CB C 13 44.63 0.05 . 1 . . . A 100 LEU CB . 25277 1 596 . 1 1 106 106 LEU CG C 13 25.05 0.05 . 1 . . . A 100 LEU CG . 25277 1 597 . 1 1 106 106 LEU CD1 C 13 27.69 0.05 . 1 . . . A 100 LEU CD1 . 25277 1 598 . 1 1 106 106 LEU CD2 C 13 25.11 0.05 . 1 . . . A 100 LEU CD2 . 25277 1 599 . 1 1 106 106 LEU N N 15 119.33 0.05 . 1 . . . A 100 LEU N . 25277 1 600 . 1 1 107 107 ASN H H 1 7.55 0.02 . 1 . . . A 101 ASN H . 25277 1 601 . 1 1 107 107 ASN HA H 1 4.92 0.02 . 1 . . . A 101 ASN HA . 25277 1 602 . 1 1 107 107 ASN HB2 H 1 3.42 0.02 . 1 . . . A 101 ASN HB2 . 25277 1 603 . 1 1 107 107 ASN HB3 H 1 2.93 0.02 . 1 . . . A 101 ASN HB3 . 25277 1 604 . 1 1 107 107 ASN HD21 H 1 8.05 0.02 . 1 . . . A 101 ASN HD21 . 25277 1 605 . 1 1 107 107 ASN HD22 H 1 7.69 0.02 . 1 . . . A 101 ASN HD22 . 25277 1 606 . 1 1 107 107 ASN CA C 13 49.93 0.05 . 1 . . . A 101 ASN CA . 25277 1 607 . 1 1 107 107 ASN CB C 13 40.60 0.05 . 1 . . . A 101 ASN CB . 25277 1 608 . 1 1 107 107 ASN N N 15 112.60 0.05 . 1 . . . A 101 ASN N . 25277 1 609 . 1 1 107 107 ASN ND2 N 15 110.64 0.05 . 1 . . . A 101 ASN ND2 . 25277 1 610 . 1 1 108 108 ASP HA H 1 4.19 0.02 . 1 . . . A 102 ASP HA . 25277 1 611 . 1 1 108 108 ASP HB2 H 1 2.64 0.02 . 1 . . . A 102 ASP HB2 . 25277 1 612 . 1 1 108 108 ASP HB3 H 1 2.64 0.02 . 1 . . . A 102 ASP HB3 . 25277 1 613 . 1 1 108 108 ASP C C 13 178.77 0.05 . 1 . . . A 102 ASP C . 25277 1 614 . 1 1 108 108 ASP CA C 13 56.88 0.05 . 1 . . . A 102 ASP CA . 25277 1 615 . 1 1 108 108 ASP CB C 13 39.98 0.05 . 1 . . . A 102 ASP CB . 25277 1 616 . 1 1 109 109 ARG H H 1 7.97 0.02 . 1 . . . A 103 ARG H . 25277 1 617 . 1 1 109 109 ARG HA H 1 3.83 0.02 . 1 . . . A 103 ARG HA . 25277 1 618 . 1 1 109 109 ARG HB2 H 1 1.76 0.02 . 1 . . . A 103 ARG HB2 . 25277 1 619 . 1 1 109 109 ARG HB3 H 1 1.90 0.02 . 1 . . . A 103 ARG HB3 . 25277 1 620 . 1 1 109 109 ARG HG2 H 1 1.76 0.02 . 1 . . . A 103 ARG HG2 . 25277 1 621 . 1 1 109 109 ARG HG3 H 1 1.76 0.02 . 1 . . . A 103 ARG HG3 . 25277 1 622 . 1 1 109 109 ARG HD2 H 1 3.26 0.02 . 1 . . . A 103 ARG HD2 . 25277 1 623 . 1 1 109 109 ARG HD3 H 1 3.26 0.02 . 1 . . . A 103 ARG HD3 . 25277 1 624 . 1 1 109 109 ARG HE H 1 8.08 0.02 . 1 . . . A 103 ARG HE . 25277 1 625 . 1 1 109 109 ARG C C 13 178.55 0.05 . 1 . . . A 103 ARG C . 25277 1 626 . 1 1 109 109 ARG CA C 13 59.38 0.05 . 1 . . . A 103 ARG CA . 25277 1 627 . 1 1 109 109 ARG CB C 13 29.50 0.05 . 1 . . . A 103 ARG CB . 25277 1 628 . 1 1 109 109 ARG CG C 13 27.66 0.05 . 1 . . . A 103 ARG CG . 25277 1 629 . 1 1 109 109 ARG CD C 13 42.86 0.05 . 1 . . . A 103 ARG CD . 25277 1 630 . 1 1 109 109 ARG N N 15 119.37 0.05 . 1 . . . A 103 ARG N . 25277 1 631 . 1 1 109 109 ARG NE N 15 84.60 0.05 . 1 . . . A 103 ARG NE . 25277 1 632 . 1 1 110 110 ALA H H 1 7.61 0.02 . 1 . . . A 104 ALA H . 25277 1 633 . 1 1 110 110 ALA HA H 1 4.21 0.02 . 1 . . . A 104 ALA HA . 25277 1 634 . 1 1 110 110 ALA HB1 H 1 1.53 0.02 . 1 . . . A 104 ALA HB1 . 25277 1 635 . 1 1 110 110 ALA HB2 H 1 1.53 0.02 . 1 . . . A 104 ALA HB2 . 25277 1 636 . 1 1 110 110 ALA HB3 H 1 1.53 0.02 . 1 . . . A 104 ALA HB3 . 25277 1 637 . 1 1 110 110 ALA C C 13 179.51 0.05 . 1 . . . A 104 ALA C . 25277 1 638 . 1 1 110 110 ALA CA C 13 54.75 0.05 . 1 . . . A 104 ALA CA . 25277 1 639 . 1 1 110 110 ALA CB C 13 19.67 0.05 . 1 . . . A 104 ALA CB . 25277 1 640 . 1 1 110 110 ALA N N 15 120.11 0.05 . 1 . . . A 104 ALA N . 25277 1 641 . 1 1 111 111 GLU H H 1 7.75 0.02 . 1 . . . A 105 GLU H . 25277 1 642 . 1 1 111 111 GLU HA H 1 4.71 0.02 . 1 . . . A 105 GLU HA . 25277 1 643 . 1 1 111 111 GLU HB2 H 1 2.09 0.02 . 1 . . . A 105 GLU HB2 . 25277 1 644 . 1 1 111 111 GLU HB3 H 1 2.09 0.02 . 1 . . . A 105 GLU HB3 . 25277 1 645 . 1 1 111 111 GLU HG2 H 1 2.36 0.02 . 2 . . . A 105 GLU HG2 . 25277 1 646 . 1 1 111 111 GLU HG3 H 1 1.98 0.02 . 2 . . . A 105 GLU HG3 . 25277 1 647 . 1 1 111 111 GLU C C 13 181.71 0.05 . 1 . . . A 105 GLU C . 25277 1 648 . 1 1 111 111 GLU CA C 13 58.68 0.05 . 1 . . . A 105 GLU CA . 25277 1 649 . 1 1 111 111 GLU CB C 13 29.49 0.05 . 1 . . . A 105 GLU CB . 25277 1 650 . 1 1 111 111 GLU CG C 13 37.36 0.05 . 1 . . . A 105 GLU CG . 25277 1 651 . 1 1 111 111 GLU N N 15 120.46 0.05 . 1 . . . A 105 GLU N . 25277 1 652 . 1 1 112 112 LYS H H 1 8.38 0.02 . 1 . . . A 106 LYS H . 25277 1 653 . 1 1 112 112 LYS HA H 1 4.02 0.02 . 1 . . . A 106 LYS HA . 25277 1 654 . 1 1 112 112 LYS HB2 H 1 1.89 0.02 . 1 . . . A 106 LYS HB2 . 25277 1 655 . 1 1 112 112 LYS HB3 H 1 1.89 0.02 . 1 . . . A 106 LYS HB3 . 25277 1 656 . 1 1 112 112 LYS HG2 H 1 1.54 0.02 . 2 . . . A 106 LYS HG2 . 25277 1 657 . 1 1 112 112 LYS HG3 H 1 1.48 0.02 . 2 . . . A 106 LYS HG3 . 25277 1 658 . 1 1 112 112 LYS HE2 H 1 2.96 0.02 . 1 . . . A 106 LYS HE2 . 25277 1 659 . 1 1 112 112 LYS HE3 H 1 2.96 0.02 . 1 . . . A 106 LYS HE3 . 25277 1 660 . 1 1 112 112 LYS C C 13 177.89 0.05 . 1 . . . A 106 LYS C . 25277 1 661 . 1 1 112 112 LYS CA C 13 58.47 0.05 . 1 . . . A 106 LYS CA . 25277 1 662 . 1 1 112 112 LYS CB C 13 31.73 0.05 . 1 . . . A 106 LYS CB . 25277 1 663 . 1 1 112 112 LYS CG C 13 25.54 0.05 . 1 . . . A 106 LYS CG . 25277 1 664 . 1 1 112 112 LYS CD C 13 28.84 0.05 . 1 . . . A 106 LYS CD . 25277 1 665 . 1 1 112 112 LYS CE C 13 42.14 0.05 . 1 . . . A 106 LYS CE . 25277 1 666 . 1 1 112 112 LYS N N 15 121.98 0.05 . 1 . . . A 106 LYS N . 25277 1 667 . 1 1 113 113 ALA H H 1 7.40 0.02 . 1 . . . A 107 ALA H . 25277 1 668 . 1 1 113 113 ALA HA H 1 4.26 0.02 . 1 . . . A 107 ALA HA . 25277 1 669 . 1 1 113 113 ALA HB1 H 1 1.50 0.02 . 1 . . . A 107 ALA HB1 . 25277 1 670 . 1 1 113 113 ALA HB2 H 1 1.50 0.02 . 1 . . . A 107 ALA HB2 . 25277 1 671 . 1 1 113 113 ALA HB3 H 1 1.50 0.02 . 1 . . . A 107 ALA HB3 . 25277 1 672 . 1 1 113 113 ALA C C 13 177.21 0.05 . 1 . . . A 107 ALA C . 25277 1 673 . 1 1 113 113 ALA CA C 13 52.27 0.05 . 1 . . . A 107 ALA CA . 25277 1 674 . 1 1 113 113 ALA CB C 13 18.74 0.05 . 1 . . . A 107 ALA CB . 25277 1 675 . 1 1 113 113 ALA N N 15 119.85 0.05 . 1 . . . A 107 ALA N . 25277 1 676 . 1 1 114 114 GLY H H 1 7.56 0.02 . 1 . . . A 108 GLY H . 25277 1 677 . 1 1 114 114 GLY HA2 H 1 4.16 0.02 . 1 . . . A 108 GLY HA2 . 25277 1 678 . 1 1 114 114 GLY HA3 H 1 3.52 0.02 . 1 . . . A 108 GLY HA3 . 25277 1 679 . 1 1 114 114 GLY C C 13 174.30 0.05 . 1 . . . A 108 GLY C . 25277 1 680 . 1 1 114 114 GLY CA C 13 44.61 0.05 . 1 . . . A 108 GLY CA . 25277 1 681 . 1 1 114 114 GLY N N 15 104.56 0.05 . 1 . . . A 108 GLY N . 25277 1 682 . 1 1 115 115 HIS H H 1 7.59 0.02 . 1 . . . A 109 HIS H . 25277 1 683 . 1 1 115 115 HIS HA H 1 4.77 0.02 . 1 . . . A 109 HIS HA . 25277 1 684 . 1 1 115 115 HIS HB2 H 1 2.51 0.02 . 1 . . . A 109 HIS HB2 . 25277 1 685 . 1 1 115 115 HIS HB3 H 1 2.67 0.02 . 1 . . . A 109 HIS HB3 . 25277 1 686 . 1 1 115 115 HIS HD2 H 1 6.89 0.02 . 1 . . . A 109 HIS HD2 . 25277 1 687 . 1 1 115 115 HIS CA C 13 54.58 0.05 . 1 . . . A 109 HIS CA . 25277 1 688 . 1 1 115 115 HIS CB C 13 29.59 0.05 . 1 . . . A 109 HIS CB . 25277 1 689 . 1 1 115 115 HIS N N 15 122.55 0.05 . 1 . . . A 109 HIS N . 25277 1 690 . 1 1 116 116 PRO HD2 H 1 3.78 0.02 . 2 . . . A 110 PRO HD2 . 25277 1 691 . 1 1 116 116 PRO HD3 H 1 3.48 0.02 . 2 . . . A 110 PRO HD3 . 25277 1 692 . 1 1 116 116 PRO CD C 13 50.47 0.05 . 1 . . . A 110 PRO CD . 25277 1 693 . 1 1 117 117 PRO HA H 1 4.56 0.02 . 1 . . . A 111 PRO HA . 25277 1 694 . 1 1 117 117 PRO HB2 H 1 1.81 0.02 . 1 . . . A 111 PRO HB2 . 25277 1 695 . 1 1 117 117 PRO HB3 H 1 2.36 0.02 . 1 . . . A 111 PRO HB3 . 25277 1 696 . 1 1 117 117 PRO HD3 H 1 3.81 0.02 . 2 . . . A 111 PRO HD3 . 25277 1 697 . 1 1 117 117 PRO CA C 13 62.73 0.05 . 1 . . . A 111 PRO CA . 25277 1 698 . 1 1 117 117 PRO CB C 13 32.80 0.05 . 1 . . . A 111 PRO CB . 25277 1 699 . 1 1 117 117 PRO CG C 13 27.65 0.05 . 1 . . . A 111 PRO CG . 25277 1 700 . 1 1 117 117 PRO CD C 13 50.42 0.05 . 1 . . . A 111 PRO CD . 25277 1 701 . 1 1 118 118 ILE H H 1 7.89 0.02 . 1 . . . A 112 ILE H . 25277 1 702 . 1 1 118 118 ILE HA H 1 3.86 0.02 . 1 . . . A 112 ILE HA . 25277 1 703 . 1 1 118 118 ILE HB H 1 1.82 0.02 . 1 . . . A 112 ILE HB . 25277 1 704 . 1 1 118 118 ILE HG12 H 1 0.86 0.02 . 2 . . . A 112 ILE HG12 . 25277 1 705 . 1 1 118 118 ILE HG13 H 1 0.79 0.02 . 2 . . . A 112 ILE HG13 . 25277 1 706 . 1 1 118 118 ILE HG21 H 1 0.56 0.02 . 1 . . . A 112 ILE HG21 . 25277 1 707 . 1 1 118 118 ILE HG22 H 1 0.56 0.02 . 1 . . . A 112 ILE HG22 . 25277 1 708 . 1 1 118 118 ILE HG23 H 1 0.56 0.02 . 1 . . . A 112 ILE HG23 . 25277 1 709 . 1 1 118 118 ILE HD11 H 1 0.32 0.02 . 1 . . . A 112 ILE HD11 . 25277 1 710 . 1 1 118 118 ILE HD12 H 1 0.32 0.02 . 1 . . . A 112 ILE HD12 . 25277 1 711 . 1 1 118 118 ILE HD13 H 1 0.32 0.02 . 1 . . . A 112 ILE HD13 . 25277 1 712 . 1 1 118 118 ILE C C 13 172.80 0.05 . 1 . . . A 112 ILE C . 25277 1 713 . 1 1 118 118 ILE CA C 13 61.19 0.05 . 1 . . . A 112 ILE CA . 25277 1 714 . 1 1 118 118 ILE CB C 13 40.44 0.05 . 1 . . . A 112 ILE CB . 25277 1 715 . 1 1 118 118 ILE CG1 C 13 31.06 0.05 . 1 . . . A 112 ILE CG1 . 25277 1 716 . 1 1 118 118 ILE CG2 C 13 16.58 0.05 . 1 . . . A 112 ILE CG2 . 25277 1 717 . 1 1 118 118 ILE CD1 C 13 16.20 0.05 . 1 . . . A 112 ILE CD1 . 25277 1 718 . 1 1 118 118 ILE N N 15 119.77 0.05 . 1 . . . A 112 ILE N . 25277 1 719 . 1 1 119 119 THR H H 1 7.07 0.02 . 1 . . . A 113 THR H . 25277 1 720 . 1 1 119 119 THR HA H 1 3.01 0.02 . 1 . . . A 113 THR HA . 25277 1 721 . 1 1 119 119 THR HB H 1 3.94 0.02 . 1 . . . A 113 THR HB . 25277 1 722 . 1 1 119 119 THR HG21 H 1 1.07 0.02 . 1 . . . A 113 THR HG21 . 25277 1 723 . 1 1 119 119 THR HG22 H 1 1.07 0.02 . 1 . . . A 113 THR HG22 . 25277 1 724 . 1 1 119 119 THR HG23 H 1 1.07 0.02 . 1 . . . A 113 THR HG23 . 25277 1 725 . 1 1 119 119 THR CA C 13 66.86 0.05 . 1 . . . A 113 THR CA . 25277 1 726 . 1 1 119 119 THR CB C 13 66.92 0.05 . 1 . . . A 113 THR CB . 25277 1 727 . 1 1 119 119 THR CG2 C 13 22.87 0.05 . 1 . . . A 113 THR CG2 . 25277 1 728 . 1 1 119 119 THR N N 15 113.61 0.05 . 1 . . . A 113 THR N . 25277 1 729 . 1 1 120 120 PRO HA H 1 4.34 0.02 . 1 . . . A 114 PRO HA . 25277 1 730 . 1 1 120 120 PRO HB2 H 1 2.40 0.02 . 1 . . . A 114 PRO HB2 . 25277 1 731 . 1 1 120 120 PRO HB3 H 1 1.72 0.02 . 1 . . . A 114 PRO HB3 . 25277 1 732 . 1 1 120 120 PRO HG2 H 1 2.04 0.02 . 1 . . . A 114 PRO HG2 . 25277 1 733 . 1 1 120 120 PRO HG3 H 1 2.04 0.02 . 1 . . . A 114 PRO HG3 . 25277 1 734 . 1 1 120 120 PRO HD2 H 1 3.51 0.02 . 1 . . . A 114 PRO HD2 . 25277 1 735 . 1 1 120 120 PRO HD3 H 1 3.51 0.02 . 1 . . . A 114 PRO HD3 . 25277 1 736 . 1 1 120 120 PRO CA C 13 66.08 0.05 . 1 . . . A 114 PRO CA . 25277 1 737 . 1 1 120 120 PRO CB C 13 32.08 0.05 . 1 . . . A 114 PRO CB . 25277 1 738 . 1 1 120 120 PRO CG C 13 28.40 0.05 . 1 . . . A 114 PRO CG . 25277 1 739 . 1 1 120 120 PRO CD C 13 50.65 0.05 . 1 . . . A 114 PRO CD . 25277 1 740 . 1 1 121 121 ILE H H 1 7.51 0.02 . 1 . . . A 115 ILE H . 25277 1 741 . 1 1 121 121 ILE HA H 1 4.61 0.02 . 1 . . . A 115 ILE HA . 25277 1 742 . 1 1 121 121 ILE HB H 1 2.12 0.02 . 1 . . . A 115 ILE HB . 25277 1 743 . 1 1 121 121 ILE HG12 H 1 0.82 0.02 . 2 . . . A 115 ILE HG12 . 25277 1 744 . 1 1 121 121 ILE HG13 H 1 0.06 0.02 . 2 . . . A 115 ILE HG13 . 25277 1 745 . 1 1 121 121 ILE HG21 H 1 0.65 0.02 . 1 . . . A 115 ILE HG21 . 25277 1 746 . 1 1 121 121 ILE HG22 H 1 0.65 0.02 . 1 . . . A 115 ILE HG22 . 25277 1 747 . 1 1 121 121 ILE HG23 H 1 0.65 0.02 . 1 . . . A 115 ILE HG23 . 25277 1 748 . 1 1 121 121 ILE HD11 H 1 0.59 0.02 . 1 . . . A 115 ILE HD11 . 25277 1 749 . 1 1 121 121 ILE HD12 H 1 0.59 0.02 . 1 . . . A 115 ILE HD12 . 25277 1 750 . 1 1 121 121 ILE HD13 H 1 0.59 0.02 . 1 . . . A 115 ILE HD13 . 25277 1 751 . 1 1 121 121 ILE C C 13 174.80 0.05 . 1 . . . A 115 ILE C . 25277 1 752 . 1 1 121 121 ILE CA C 13 60.00 0.05 . 1 . . . A 115 ILE CA . 25277 1 753 . 1 1 121 121 ILE CB C 13 37.86 0.05 . 1 . . . A 115 ILE CB . 25277 1 754 . 1 1 121 121 ILE CG1 C 13 26.82 0.05 . 1 . . . A 115 ILE CG1 . 25277 1 755 . 1 1 121 121 ILE CG2 C 13 17.08 0.05 . 1 . . . A 115 ILE CG2 . 25277 1 756 . 1 1 121 121 ILE CD1 C 13 16.36 0.05 . 1 . . . A 115 ILE CD1 . 25277 1 757 . 1 1 121 121 ILE N N 15 134.77 0.05 . 1 . . . A 115 ILE N . 25277 1 758 . 1 1 122 122 ARG H H 1 7.28 0.02 . 1 . . . A 116 ARG H . 25277 1 759 . 1 1 122 122 ARG HA H 1 3.97 0.02 . 1 . . . A 116 ARG HA . 25277 1 760 . 1 1 122 122 ARG HB2 H 1 1.76 0.02 . 2 . . . A 116 ARG HB2 . 25277 1 761 . 1 1 122 122 ARG HB3 H 1 1.10 0.02 . 2 . . . A 116 ARG HB3 . 25277 1 762 . 1 1 122 122 ARG HG2 H 1 1.37 0.02 . 2 . . . A 116 ARG HG2 . 25277 1 763 . 1 1 122 122 ARG HG3 H 1 0.73 0.02 . 2 . . . A 116 ARG HG3 . 25277 1 764 . 1 1 122 122 ARG HD2 H 1 2.78 0.02 . 1 . . . A 116 ARG HD2 . 25277 1 765 . 1 1 122 122 ARG HD3 H 1 2.78 0.02 . 1 . . . A 116 ARG HD3 . 25277 1 766 . 1 1 122 122 ARG C C 13 174.91 0.05 . 1 . . . A 116 ARG C . 25277 1 767 . 1 1 122 122 ARG CA C 13 57.78 0.05 . 1 . . . A 116 ARG CA . 25277 1 768 . 1 1 122 122 ARG CB C 13 31.87 0.05 . 1 . . . A 116 ARG CB . 25277 1 769 . 1 1 122 122 ARG CG C 13 27.68 0.05 . 1 . . . A 116 ARG CG . 25277 1 770 . 1 1 122 122 ARG CD C 13 44.51 0.05 . 1 . . . A 116 ARG CD . 25277 1 771 . 1 1 122 122 ARG N N 15 120.89 0.05 . 1 . . . A 116 ARG N . 25277 1 772 . 1 1 123 123 ALA H H 1 8.15 0.02 . 1 . . . A 117 ALA H . 25277 1 773 . 1 1 123 123 ALA HA H 1 4.23 0.02 . 1 . . . A 117 ALA HA . 25277 1 774 . 1 1 123 123 ALA HB1 H 1 0.99 0.02 . 1 . . . A 117 ALA HB1 . 25277 1 775 . 1 1 123 123 ALA HB2 H 1 0.99 0.02 . 1 . . . A 117 ALA HB2 . 25277 1 776 . 1 1 123 123 ALA HB3 H 1 0.99 0.02 . 1 . . . A 117 ALA HB3 . 25277 1 777 . 1 1 123 123 ALA C C 13 176.29 0.05 . 1 . . . A 117 ALA C . 25277 1 778 . 1 1 123 123 ALA CA C 13 50.78 0.05 . 1 . . . A 117 ALA CA . 25277 1 779 . 1 1 123 123 ALA CB C 13 20.29 0.05 . 1 . . . A 117 ALA CB . 25277 1 780 . 1 1 123 123 ALA N N 15 125.40 0.05 . 1 . . . A 117 ALA N . 25277 1 781 . 1 1 124 124 LYS H H 1 8.36 0.02 . 1 . . . A 118 LYS H . 25277 1 782 . 1 1 124 124 LYS HA H 1 4.59 0.02 . 1 . . . A 118 LYS HA . 25277 1 783 . 1 1 124 124 LYS HB2 H 1 1.54 0.02 . 1 . . . A 118 LYS HB2 . 25277 1 784 . 1 1 124 124 LYS HB3 H 1 1.54 0.02 . 1 . . . A 118 LYS HB3 . 25277 1 785 . 1 1 124 124 LYS HG2 H 1 1.34 0.02 . 2 . . . A 118 LYS HG2 . 25277 1 786 . 1 1 124 124 LYS HG3 H 1 0.90 0.02 . 2 . . . A 118 LYS HG3 . 25277 1 787 . 1 1 124 124 LYS HD2 H 1 1.42 0.02 . 1 . . . A 118 LYS HD2 . 25277 1 788 . 1 1 124 124 LYS HD3 H 1 1.42 0.02 . 1 . . . A 118 LYS HD3 . 25277 1 789 . 1 1 124 124 LYS HE2 H 1 2.74 0.02 . 2 . . . A 118 LYS HE2 . 25277 1 790 . 1 1 124 124 LYS HE3 H 1 2.61 0.02 . 2 . . . A 118 LYS HE3 . 25277 1 791 . 1 1 124 124 LYS C C 13 177.40 0.05 . 1 . . . A 118 LYS C . 25277 1 792 . 1 1 124 124 LYS CA C 13 55.67 0.05 . 1 . . . A 118 LYS CA . 25277 1 793 . 1 1 124 124 LYS CB C 13 34.51 0.05 . 1 . . . A 118 LYS CB . 25277 1 794 . 1 1 124 124 LYS CG C 13 25.62 0.05 . 1 . . . A 118 LYS CG . 25277 1 795 . 1 1 124 124 LYS CD C 13 29.29 0.05 . 1 . . . A 118 LYS CD . 25277 1 796 . 1 1 124 124 LYS CE C 13 41.94 0.05 . 1 . . . A 118 LYS CE . 25277 1 797 . 1 1 124 124 LYS N N 15 119.89 0.05 . 1 . . . A 118 LYS N . 25277 1 798 . 1 1 125 125 GLY H H 1 8.32 0.02 . 1 . . . A 119 GLY H . 25277 1 799 . 1 1 125 125 GLY HA2 H 1 3.62 0.02 . 1 . . . A 119 GLY HA2 . 25277 1 800 . 1 1 125 125 GLY HA3 H 1 4.38 0.02 . 1 . . . A 119 GLY HA3 . 25277 1 801 . 1 1 125 125 GLY CA C 13 43.61 0.05 . 1 . . . A 119 GLY CA . 25277 1 802 . 1 1 125 125 GLY N N 15 108.63 0.05 . 1 . . . A 119 GLY N . 25277 1 803 . 1 1 130 130 TYR HA H 1 4.90 0.02 . 1 . . . A 124 TYR HA . 25277 1 804 . 1 1 130 130 TYR HB2 H 1 2.44 0.02 . 1 . . . A 124 TYR HB2 . 25277 1 805 . 1 1 130 130 TYR HB3 H 1 3.06 0.02 . 1 . . . A 124 TYR HB3 . 25277 1 806 . 1 1 130 130 TYR HD1 H 1 6.85 0.02 . 1 . . . A 124 TYR HD1 . 25277 1 807 . 1 1 130 130 TYR HD2 H 1 6.85 0.02 . 1 . . . A 124 TYR HD2 . 25277 1 808 . 1 1 130 130 TYR HE1 H 1 6.70 0.02 . 1 . . . A 124 TYR HE1 . 25277 1 809 . 1 1 130 130 TYR HE2 H 1 6.70 0.02 . 1 . . . A 124 TYR HE2 . 25277 1 810 . 1 1 130 130 TYR C C 13 177.43 0.05 . 1 . . . A 124 TYR C . 25277 1 811 . 1 1 130 130 TYR CA C 13 57.97 0.05 . 1 . . . A 124 TYR CA . 25277 1 812 . 1 1 130 130 TYR CB C 13 38.65 0.05 . 1 . . . A 124 TYR CB . 25277 1 813 . 1 1 131 131 ILE H H 1 8.34 0.02 . 1 . . . A 125 ILE H . 25277 1 814 . 1 1 131 131 ILE HA H 1 3.84 0.02 . 1 . . . A 125 ILE HA . 25277 1 815 . 1 1 131 131 ILE HB H 1 1.39 0.02 . 1 . . . A 125 ILE HB . 25277 1 816 . 1 1 131 131 ILE HG12 H 1 1.06 0.02 . 1 . . . A 125 ILE HG12 . 25277 1 817 . 1 1 131 131 ILE HG13 H 1 1.44 0.02 . 1 . . . A 125 ILE HG13 . 25277 1 818 . 1 1 131 131 ILE HG21 H 1 0.92 0.02 . 1 . . . A 125 ILE HG21 . 25277 1 819 . 1 1 131 131 ILE HG22 H 1 0.92 0.02 . 1 . . . A 125 ILE HG22 . 25277 1 820 . 1 1 131 131 ILE HG23 H 1 0.92 0.02 . 1 . . . A 125 ILE HG23 . 25277 1 821 . 1 1 131 131 ILE HD11 H 1 0.77 0.02 . 1 . . . A 125 ILE HD11 . 25277 1 822 . 1 1 131 131 ILE HD12 H 1 0.77 0.02 . 1 . . . A 125 ILE HD12 . 25277 1 823 . 1 1 131 131 ILE HD13 H 1 0.77 0.02 . 1 . . . A 125 ILE HD13 . 25277 1 824 . 1 1 131 131 ILE CA C 13 61.73 0.05 . 1 . . . A 125 ILE CA . 25277 1 825 . 1 1 131 131 ILE CB C 13 38.51 0.05 . 1 . . . A 125 ILE CB . 25277 1 826 . 1 1 131 131 ILE CG1 C 13 28.39 0.05 . 1 . . . A 125 ILE CG1 . 25277 1 827 . 1 1 131 131 ILE CG2 C 13 16.55 0.05 . 1 . . . A 125 ILE CG2 . 25277 1 828 . 1 1 131 131 ILE CD1 C 13 12.66 0.05 . 1 . . . A 125 ILE CD1 . 25277 1 829 . 1 1 131 131 ILE N N 15 123.67 0.05 . 1 . . . A 125 ILE N . 25277 1 830 . 1 1 132 132 SER HA H 1 4.07 0.02 . 1 . . . A 126 SER HA . 25277 1 831 . 1 1 132 132 SER HB2 H 1 4.13 0.02 . 2 . . . A 126 SER HB2 . 25277 1 832 . 1 1 132 132 SER HB3 H 1 3.74 0.02 . 2 . . . A 126 SER HB3 . 25277 1 833 . 1 1 132 132 SER C C 13 176.29 0.05 . 1 . . . A 126 SER C . 25277 1 834 . 1 1 132 132 SER CA C 13 59.19 0.05 . 1 . . . A 126 SER CA . 25277 1 835 . 1 1 132 132 SER CB C 13 63.20 0.05 . 1 . . . A 126 SER CB . 25277 1 836 . 1 1 133 133 LEU H H 1 8.79 0.02 . 1 . . . A 127 LEU H . 25277 1 837 . 1 1 133 133 LEU HA H 1 3.94 0.02 . 1 . . . A 127 LEU HA . 25277 1 838 . 1 1 133 133 LEU HB2 H 1 1.63 0.02 . 1 . . . A 127 LEU HB2 . 25277 1 839 . 1 1 133 133 LEU HB3 H 1 1.47 0.02 . 1 . . . A 127 LEU HB3 . 25277 1 840 . 1 1 133 133 LEU HG H 1 1.58 0.02 . 1 . . . A 127 LEU HG . 25277 1 841 . 1 1 133 133 LEU HD11 H 1 0.63 0.02 . 1 . . . A 127 LEU HD11 . 25277 1 842 . 1 1 133 133 LEU HD12 H 1 0.63 0.02 . 1 . . . A 127 LEU HD12 . 25277 1 843 . 1 1 133 133 LEU HD13 H 1 0.63 0.02 . 1 . . . A 127 LEU HD13 . 25277 1 844 . 1 1 133 133 LEU HD21 H 1 0.49 0.02 . 1 . . . A 127 LEU HD21 . 25277 1 845 . 1 1 133 133 LEU HD22 H 1 0.49 0.02 . 1 . . . A 127 LEU HD22 . 25277 1 846 . 1 1 133 133 LEU HD23 H 1 0.49 0.02 . 1 . . . A 127 LEU HD23 . 25277 1 847 . 1 1 133 133 LEU C C 13 176.66 0.05 . 1 . . . A 127 LEU C . 25277 1 848 . 1 1 133 133 LEU CA C 13 55.11 0.05 . 1 . . . A 127 LEU CA . 25277 1 849 . 1 1 133 133 LEU CB C 13 42.93 0.05 . 1 . . . A 127 LEU CB . 25277 1 850 . 1 1 133 133 LEU CG C 13 26.83 0.05 . 1 . . . A 127 LEU CG . 25277 1 851 . 1 1 133 133 LEU CD1 C 13 25.53 0.05 . 1 . . . A 127 LEU CD1 . 25277 1 852 . 1 1 133 133 LEU CD2 C 13 23.33 0.05 . 1 . . . A 127 LEU CD2 . 25277 1 853 . 1 1 133 133 LEU N N 15 127.03 0.05 . 1 . . . A 127 LEU N . 25277 1 854 . 1 1 134 134 GLY H H 1 8.45 0.02 . 1 . . . A 128 GLY H . 25277 1 855 . 1 1 134 134 GLY HA2 H 1 3.56 0.02 . 1 . . . A 128 GLY HA2 . 25277 1 856 . 1 1 134 134 GLY HA3 H 1 3.88 0.02 . 1 . . . A 128 GLY HA3 . 25277 1 857 . 1 1 134 134 GLY CA C 13 48.53 0.05 . 1 . . . A 128 GLY CA . 25277 1 858 . 1 1 134 134 GLY N N 15 106.60 0.05 . 1 . . . A 128 GLY N . 25277 1 859 . 1 1 135 135 ALA HA H 1 4.23 0.02 . 1 . . . A 129 ALA HA . 25277 1 860 . 1 1 135 135 ALA HB1 H 1 1.34 0.02 . 1 . . . A 129 ALA HB1 . 25277 1 861 . 1 1 135 135 ALA HB2 H 1 1.34 0.02 . 1 . . . A 129 ALA HB2 . 25277 1 862 . 1 1 135 135 ALA HB3 H 1 1.34 0.02 . 1 . . . A 129 ALA HB3 . 25277 1 863 . 1 1 135 135 ALA C C 13 180.41 0.05 . 1 . . . A 129 ALA C . 25277 1 864 . 1 1 135 135 ALA CA C 13 54.92 0.05 . 1 . . . A 129 ALA CA . 25277 1 865 . 1 1 135 135 ALA CB C 13 19.13 0.05 . 1 . . . A 129 ALA CB . 25277 1 866 . 1 1 136 136 LEU H H 1 8.04 0.02 . 1 . . . A 130 LEU H . 25277 1 867 . 1 1 136 136 LEU HA H 1 3.92 0.02 . 1 . . . A 130 LEU HA . 25277 1 868 . 1 1 136 136 LEU HB2 H 1 0.94 0.02 . 1 . . . A 130 LEU HB2 . 25277 1 869 . 1 1 136 136 LEU HB3 H 1 1.63 0.02 . 1 . . . A 130 LEU HB3 . 25277 1 870 . 1 1 136 136 LEU HG H 1 1.37 0.02 . 1 . . . A 130 LEU HG . 25277 1 871 . 1 1 136 136 LEU HD11 H 1 0.79 0.02 . 1 . . . A 130 LEU HD11 . 25277 1 872 . 1 1 136 136 LEU HD12 H 1 0.79 0.02 . 1 . . . A 130 LEU HD12 . 25277 1 873 . 1 1 136 136 LEU HD13 H 1 0.79 0.02 . 1 . . . A 130 LEU HD13 . 25277 1 874 . 1 1 136 136 LEU HD21 H 1 0.10 0.02 . 1 . . . A 130 LEU HD21 . 25277 1 875 . 1 1 136 136 LEU HD22 H 1 0.10 0.02 . 1 . . . A 130 LEU HD22 . 25277 1 876 . 1 1 136 136 LEU HD23 H 1 0.10 0.02 . 1 . . . A 130 LEU HD23 . 25277 1 877 . 1 1 136 136 LEU C C 13 179.02 0.05 . 1 . . . A 130 LEU C . 25277 1 878 . 1 1 136 136 LEU CA C 13 57.63 0.05 . 1 . . . A 130 LEU CA . 25277 1 879 . 1 1 136 136 LEU CB C 13 42.14 0.05 . 1 . . . A 130 LEU CB . 25277 1 880 . 1 1 136 136 LEU CG C 13 26.41 0.05 . 1 . . . A 130 LEU CG . 25277 1 881 . 1 1 136 136 LEU CD1 C 13 23.86 0.05 . 1 . . . A 130 LEU CD1 . 25277 1 882 . 1 1 136 136 LEU CD2 C 13 26.38 0.05 . 1 . . . A 130 LEU CD2 . 25277 1 883 . 1 1 136 136 LEU N N 15 122.55 0.05 . 1 . . . A 130 LEU N . 25277 1 884 . 1 1 137 137 LEU H H 1 9.06 0.02 . 1 . . . A 131 LEU H . 25277 1 885 . 1 1 137 137 LEU HA H 1 3.92 0.02 . 1 . . . A 131 LEU HA . 25277 1 886 . 1 1 137 137 LEU HB2 H 1 1.29 0.02 . 1 . . . A 131 LEU HB2 . 25277 1 887 . 1 1 137 137 LEU HB3 H 1 1.88 0.02 . 1 . . . A 131 LEU HB3 . 25277 1 888 . 1 1 137 137 LEU HG H 1 1.52 0.02 . 1 . . . A 131 LEU HG . 25277 1 889 . 1 1 137 137 LEU HD11 H 1 0.81 0.02 . 1 . . . A 131 LEU HD11 . 25277 1 890 . 1 1 137 137 LEU HD12 H 1 0.81 0.02 . 1 . . . A 131 LEU HD12 . 25277 1 891 . 1 1 137 137 LEU HD13 H 1 0.81 0.02 . 1 . . . A 131 LEU HD13 . 25277 1 892 . 1 1 137 137 LEU HD21 H 1 0.91 0.02 . 1 . . . A 131 LEU HD21 . 25277 1 893 . 1 1 137 137 LEU HD22 H 1 0.91 0.02 . 1 . . . A 131 LEU HD22 . 25277 1 894 . 1 1 137 137 LEU HD23 H 1 0.91 0.02 . 1 . . . A 131 LEU HD23 . 25277 1 895 . 1 1 137 137 LEU C C 13 177.91 0.05 . 1 . . . A 131 LEU C . 25277 1 896 . 1 1 137 137 LEU CA C 13 58.57 0.05 . 1 . . . A 131 LEU CA . 25277 1 897 . 1 1 137 137 LEU CB C 13 40.72 0.05 . 1 . . . A 131 LEU CB . 25277 1 898 . 1 1 137 137 LEU CG C 13 27.32 0.05 . 1 . . . A 131 LEU CG . 25277 1 899 . 1 1 137 137 LEU CD1 C 13 23.57 0.05 . 1 . . . A 131 LEU CD1 . 25277 1 900 . 1 1 137 137 LEU CD2 C 13 25.22 0.05 . 1 . . . A 131 LEU CD2 . 25277 1 901 . 1 1 137 137 LEU N N 15 121.91 0.05 . 1 . . . A 131 LEU N . 25277 1 902 . 1 1 138 138 SER H H 1 8.73 0.02 . 1 . . . A 132 SER H . 25277 1 903 . 1 1 138 138 SER HA H 1 3.97 0.02 . 1 . . . A 132 SER HA . 25277 1 904 . 1 1 138 138 SER HB2 H 1 3.89 0.02 . 1 . . . A 132 SER HB2 . 25277 1 905 . 1 1 138 138 SER HB3 H 1 3.89 0.02 . 1 . . . A 132 SER HB3 . 25277 1 906 . 1 1 138 138 SER C C 13 177.14 0.05 . 1 . . . A 132 SER C . 25277 1 907 . 1 1 138 138 SER CA C 13 62.34 0.05 . 1 . . . A 132 SER CA . 25277 1 908 . 1 1 138 138 SER CB C 13 62.37 0.05 . 1 . . . A 132 SER CB . 25277 1 909 . 1 1 138 138 SER N N 15 115.53 0.05 . 1 . . . A 132 SER N . 25277 1 910 . 1 1 139 139 THR H H 1 7.75 0.02 . 1 . . . A 133 THR H . 25277 1 911 . 1 1 139 139 THR HA H 1 3.86 0.02 . 1 . . . A 133 THR HA . 25277 1 912 . 1 1 139 139 THR HB H 1 4.15 0.02 . 1 . . . A 133 THR HB . 25277 1 913 . 1 1 139 139 THR HG21 H 1 1.14 0.02 . 1 . . . A 133 THR HG21 . 25277 1 914 . 1 1 139 139 THR HG22 H 1 1.14 0.02 . 1 . . . A 133 THR HG22 . 25277 1 915 . 1 1 139 139 THR HG23 H 1 1.14 0.02 . 1 . . . A 133 THR HG23 . 25277 1 916 . 1 1 139 139 THR C C 13 175.67 0.05 . 1 . . . A 133 THR C . 25277 1 917 . 1 1 139 139 THR CA C 13 66.93 0.05 . 1 . . . A 133 THR CA . 25277 1 918 . 1 1 139 139 THR CB C 13 68.88 0.05 . 1 . . . A 133 THR CB . 25277 1 919 . 1 1 139 139 THR CG2 C 13 21.44 0.05 . 1 . . . A 133 THR CG2 . 25277 1 920 . 1 1 139 139 THR N N 15 116.96 0.05 . 1 . . . A 133 THR N . 25277 1 921 . 1 1 140 140 THR H H 1 7.57 0.02 . 1 . . . A 134 THR H . 25277 1 922 . 1 1 140 140 THR HA H 1 3.78 0.02 . 1 . . . A 134 THR HA . 25277 1 923 . 1 1 140 140 THR HB H 1 3.77 0.02 . 1 . . . A 134 THR HB . 25277 1 924 . 1 1 140 140 THR HG21 H 1 1.03 0.02 . 1 . . . A 134 THR HG21 . 25277 1 925 . 1 1 140 140 THR HG22 H 1 1.03 0.02 . 1 . . . A 134 THR HG22 . 25277 1 926 . 1 1 140 140 THR HG23 H 1 1.03 0.02 . 1 . . . A 134 THR HG23 . 25277 1 927 . 1 1 140 140 THR C C 13 176.75 0.05 . 1 . . . A 134 THR C . 25277 1 928 . 1 1 140 140 THR CA C 13 67.65 0.05 . 1 . . . A 134 THR CA . 25277 1 929 . 1 1 140 140 THR CB C 13 67.56 0.05 . 1 . . . A 134 THR CB . 25277 1 930 . 1 1 140 140 THR CG2 C 13 23.49 0.05 . 1 . . . A 134 THR CG2 . 25277 1 931 . 1 1 140 140 THR N N 15 118.83 0.05 . 1 . . . A 134 THR N . 25277 1 932 . 1 1 141 141 LEU H H 1 8.65 0.02 . 1 . . . A 135 LEU H . 25277 1 933 . 1 1 141 141 LEU HA H 1 4.49 0.02 . 1 . . . A 135 LEU HA . 25277 1 934 . 1 1 141 141 LEU HB2 H 1 1.78 0.02 . 1 . . . A 135 LEU HB2 . 25277 1 935 . 1 1 141 141 LEU HB3 H 1 1.44 0.02 . 1 . . . A 135 LEU HB3 . 25277 1 936 . 1 1 141 141 LEU HG H 1 1.67 0.02 . 1 . . . A 135 LEU HG . 25277 1 937 . 1 1 141 141 LEU HD11 H 1 0.83 0.02 . 1 . . . A 135 LEU HD11 . 25277 1 938 . 1 1 141 141 LEU HD12 H 1 0.83 0.02 . 1 . . . A 135 LEU HD12 . 25277 1 939 . 1 1 141 141 LEU HD13 H 1 0.83 0.02 . 1 . . . A 135 LEU HD13 . 25277 1 940 . 1 1 141 141 LEU HD21 H 1 0.76 0.02 . 1 . . . A 135 LEU HD21 . 25277 1 941 . 1 1 141 141 LEU HD22 H 1 0.76 0.02 . 1 . . . A 135 LEU HD22 . 25277 1 942 . 1 1 141 141 LEU HD23 H 1 0.76 0.02 . 1 . . . A 135 LEU HD23 . 25277 1 943 . 1 1 141 141 LEU C C 13 180.05 0.05 . 1 . . . A 135 LEU C . 25277 1 944 . 1 1 141 141 LEU CA C 13 57.01 0.05 . 1 . . . A 135 LEU CA . 25277 1 945 . 1 1 141 141 LEU CB C 13 40.61 0.05 . 1 . . . A 135 LEU CB . 25277 1 946 . 1 1 141 141 LEU CG C 13 27.11 0.05 . 1 . . . A 135 LEU CG . 25277 1 947 . 1 1 141 141 LEU CD1 C 13 25.54 0.05 . 1 . . . A 135 LEU CD1 . 25277 1 948 . 1 1 141 141 LEU CD2 C 13 22.27 0.05 . 1 . . . A 135 LEU CD2 . 25277 1 949 . 1 1 141 141 LEU N N 15 121.42 0.05 . 1 . . . A 135 LEU N . 25277 1 950 . 1 1 142 142 ASN H H 1 7.36 0.02 . 1 . . . A 136 ASN H . 25277 1 951 . 1 1 142 142 ASN HA H 1 4.54 0.02 . 1 . . . A 136 ASN HA . 25277 1 952 . 1 1 142 142 ASN HB2 H 1 2.83 0.02 . 1 . . . A 136 ASN HB2 . 25277 1 953 . 1 1 142 142 ASN HB3 H 1 2.83 0.02 . 1 . . . A 136 ASN HB3 . 25277 1 954 . 1 1 142 142 ASN HD21 H 1 7.66 0.02 . 1 . . . A 136 ASN HD21 . 25277 1 955 . 1 1 142 142 ASN HD22 H 1 6.88 0.02 . 1 . . . A 136 ASN HD22 . 25277 1 956 . 1 1 142 142 ASN C C 13 175.98 0.05 . 1 . . . A 136 ASN C . 25277 1 957 . 1 1 142 142 ASN CA C 13 54.77 0.05 . 1 . . . A 136 ASN CA . 25277 1 958 . 1 1 142 142 ASN CB C 13 38.44 0.05 . 1 . . . A 136 ASN CB . 25277 1 959 . 1 1 142 142 ASN N N 15 117.01 0.05 . 1 . . . A 136 ASN N . 25277 1 960 . 1 1 142 142 ASN ND2 N 15 112.90 0.05 . 1 . . . A 136 ASN ND2 . 25277 1 961 . 1 1 143 143 LEU H H 1 7.81 0.02 . 1 . . . A 137 LEU H . 25277 1 962 . 1 1 143 143 LEU HA H 1 4.16 0.02 . 1 . . . A 137 LEU HA . 25277 1 963 . 1 1 143 143 LEU HB2 H 1 2.04 0.02 . 1 . . . A 137 LEU HB2 . 25277 1 964 . 1 1 143 143 LEU HB3 H 1 1.46 0.02 . 1 . . . A 137 LEU HB3 . 25277 1 965 . 1 1 143 143 LEU HG H 1 1.88 0.02 . 1 . . . A 137 LEU HG . 25277 1 966 . 1 1 143 143 LEU HD11 H 1 0.74 0.02 . 1 . . . A 137 LEU HD11 . 25277 1 967 . 1 1 143 143 LEU HD12 H 1 0.74 0.02 . 1 . . . A 137 LEU HD12 . 25277 1 968 . 1 1 143 143 LEU HD13 H 1 0.74 0.02 . 1 . . . A 137 LEU HD13 . 25277 1 969 . 1 1 143 143 LEU HD21 H 1 0.75 0.02 . 1 . . . A 137 LEU HD21 . 25277 1 970 . 1 1 143 143 LEU HD22 H 1 0.75 0.02 . 1 . . . A 137 LEU HD22 . 25277 1 971 . 1 1 143 143 LEU HD23 H 1 0.75 0.02 . 1 . . . A 137 LEU HD23 . 25277 1 972 . 1 1 143 143 LEU CA C 13 55.43 0.05 . 1 . . . A 137 LEU CA . 25277 1 973 . 1 1 143 143 LEU CB C 13 41.57 0.05 . 1 . . . A 137 LEU CB . 25277 1 974 . 1 1 143 143 LEU CG C 13 26.2 0.05 . 1 . . . A 137 LEU CG . 25277 1 975 . 1 1 143 143 LEU CD1 C 13 25.86 0.05 . 1 . . . A 137 LEU CD1 . 25277 1 976 . 1 1 143 143 LEU CD2 C 13 22.40 0.05 . 1 . . . A 137 LEU CD2 . 25277 1 977 . 1 1 143 143 LEU N N 15 116.94 0.05 . 1 . . . A 137 LEU N . 25277 1 978 . 1 1 144 144 CYS H H 1 7.45 0.02 . 1 . . . A 138 CYS H . 25277 1 979 . 1 1 144 144 CYS HA H 1 4.41 0.02 . 1 . . . A 138 CYS HA . 25277 1 980 . 1 1 144 144 CYS HB2 H 1 2.98 0.02 . 1 . . . A 138 CYS HB2 . 25277 1 981 . 1 1 144 144 CYS HB3 H 1 3.35 0.02 . 1 . . . A 138 CYS HB3 . 25277 1 982 . 1 1 144 144 CYS CA C 13 55.48 0.05 . 1 . . . A 138 CYS CA . 25277 1 983 . 1 1 144 144 CYS CB C 13 41.20 0.05 . 1 . . . A 138 CYS CB . 25277 1 984 . 1 1 144 144 CYS N N 15 115.43 0.05 . 1 . . . A 138 CYS N . 25277 1 985 . 1 1 145 145 GLY C C 13 178.80 0.05 . 1 . . . A 139 GLY C . 25277 1 986 . 1 1 145 145 GLY CA C 13 45.50 0.05 . 1 . . . A 139 GLY CA . 25277 1 987 . 1 1 146 146 LYS H H 1 7.76 0.02 . 1 . . . A 140 LYS H . 25277 1 988 . 1 1 146 146 LYS HA H 1 4.32 0.02 . 1 . . . A 140 LYS HA . 25277 1 989 . 1 1 146 146 LYS HB2 H 1 1.67 0.02 . 1 . . . A 140 LYS HB2 . 25277 1 990 . 1 1 146 146 LYS HB3 H 1 1.67 0.02 . 1 . . . A 140 LYS HB3 . 25277 1 991 . 1 1 146 146 LYS C C 13 175.82 0.05 . 1 . . . A 140 LYS C . 25277 1 992 . 1 1 146 146 LYS CA C 13 55.68 0.05 . 1 . . . A 140 LYS CA . 25277 1 993 . 1 1 146 146 LYS CB C 13 32.80 0.05 . 1 . . . A 140 LYS CB . 25277 1 994 . 1 1 146 146 LYS CG C 13 24.96 0.05 . 1 . . . A 140 LYS CG . 25277 1 995 . 1 1 146 146 LYS CD C 13 28.45 0.05 . 1 . . . A 140 LYS CD . 25277 1 996 . 1 1 146 146 LYS CE C 13 41.36 0.05 . 1 . . . A 140 LYS CE . 25277 1 997 . 1 1 146 146 LYS N N 15 119.83 0.05 . 1 . . . A 140 LYS N . 25277 1 998 . 1 1 147 147 GLY H H 1 7.96 0.02 . 1 . . . A 141 GLY H . 25277 1 999 . 1 1 147 147 GLY HA2 H 1 3.72 0.02 . 1 . . . A 141 GLY HA2 . 25277 1 1000 . 1 1 147 147 GLY HA3 H 1 3.72 0.02 . 1 . . . A 141 GLY HA3 . 25277 1 1001 . 1 1 147 147 GLY CA C 13 46.10 0.05 . 1 . . . A 141 GLY CA . 25277 1 1002 . 1 1 147 147 GLY N N 15 114.86 0.05 . 1 . . . A 141 GLY N . 25277 1 stop_ save_