data_19876 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19876 _Entry.Title ; 3D structure of YmoB. A modulator of biofilm formation. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-26 _Entry.Accession_date 2014-03-26 _Entry.Last_release_date 2015-03-30 _Entry.Original_release_date 2015-03-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Oriol Marimon . . . 19876 2 Tiago Cordeiro . N. . 19876 3 Irene Amata . . . 19876 4 Miquel Pons . . . 19876 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' . 19876 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Buried cysteine' . 19876 'four helix bundle' . 19876 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19876 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 19876 '15N chemical shifts' 123 19876 '1H chemical shifts' 866 19876 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-03-30 2014-03-26 original author . 19876 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MN2 'BMRB Entry Tracking System' 19876 stop_ save_ ############### # Citations # ############### save_citacion_1 _Citation.Sf_category citations _Citation.Sf_framecode citacion_1 _Citation.Entry_ID 19876 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'TomB/YmoB proteins: structure and function in biofilm regulation.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Oriol Marimon . . . 19876 1 2 Tiago Cordeiro . N. . 19876 1 3 Irene Amata . . . 19876 1 4 Maxim Mayzel . . . 19876 1 5 Vladislav Orekhov . Y. . 19876 1 6 Thomas Wood . K. . 19876 1 7 Miquel Pons . . . 19876 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19876 _Assembly.ID 1 _Assembly.Name 'YmoB. A modulator of biofilm formation' _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 YmoB-C117S 1 $entity A . yes native no no . . . 19876 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19876 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSHHHHHHSMGMDEYSPKRH DVAQLKFLCESLYDEGIATL GDSHHGWVNDPTSAVNLQLN DLIEHIASFVMSFKIKYPDD GDLSELVEEYLDDTYTLFSS YGINDPELQRWQKTKERLFR LFSGEYISTLMKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C117S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14191.914 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MN2 . "3d Structure Of Ymob, A Modulator Of Biofilm Formation" . . . . . 100.00 133 100.00 100.00 4.88e-93 . . . . 19876 1 2 no EMBL CAL13149 . "conserved hypothetical protein [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 1 3 no EMBL CBX70720 . "uncharacterized protein ybaJ [Yersinia enterocolitica W22703]" . . . . . 91.73 122 99.18 99.18 2.31e-83 . . . . 19876 1 4 no EMBL CBY26149 . "putative cytoplasmic protein [Yersinia enterocolitica subsp. palearctica Y11]" . . . . . 91.73 122 99.18 99.18 2.31e-83 . . . . 19876 1 5 no EMBL CCO69635 . "FIG00948312: hypothetical protein [Yersinia enterocolitica IP 10393]" . . . . . 91.73 122 99.18 99.18 2.31e-83 . . . . 19876 1 6 no EMBL CCQ41626 . "conserved hypothetical protein [Yersinia enterocolitica (type O:5) str. YE53/03]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 1 7 no GB AAQ90016 . "YmoB [Yersinia enterocolitica]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 1 8 no GB ADZ41643 . "hypothetical protein YE105_C1147 [Yersinia enterocolitica subsp. palearctica 105.5R(r)]" . . . . . 91.73 122 99.18 99.18 2.31e-83 . . . . 19876 1 9 no GB AHM72673 . "Toxin overexpression modulator in biofilms [Yersinia enterocolitica LC20]" . . . . . 91.73 122 97.54 99.18 2.05e-82 . . . . 19876 1 10 no GB AJI85062 . "biofilm formation regulator YbaJ family protein [Yersinia enterocolitica]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 1 11 no GB AJJ21754 . "biofilm formation regulator YbaJ family protein [Yersinia enterocolitica]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 1 12 no REF WP_005163463 . "hypothetical protein [Yersinia enterocolitica]" . . . . . 91.73 122 99.18 99.18 2.31e-83 . . . . 19876 1 13 no REF WP_005167670 . "hypothetical protein [Yersinia enterocolitica]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 1 14 no REF WP_050077354 . "Biofilm formation regulator YbaJ [Yersinia intermedia]" . . . . . 91.73 122 97.54 97.54 1.69e-81 . . . . 19876 1 15 no REF YP_001007296 . "hypothetical protein YE3114 [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 91.73 122 98.36 98.36 1.92e-82 . . . . 19876 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 -10 MET . 19876 1 2 -9 SER . 19876 1 3 -8 HIS . 19876 1 4 -7 HIS . 19876 1 5 -6 HIS . 19876 1 6 -5 HIS . 19876 1 7 -4 HIS . 19876 1 8 -3 HIS . 19876 1 9 -2 SER . 19876 1 10 -1 MET . 19876 1 11 0 GLY . 19876 1 12 1 MET . 19876 1 13 2 ASP . 19876 1 14 3 GLU . 19876 1 15 4 TYR . 19876 1 16 5 SER . 19876 1 17 6 PRO . 19876 1 18 7 LYS . 19876 1 19 8 ARG . 19876 1 20 9 HIS . 19876 1 21 10 ASP . 19876 1 22 11 VAL . 19876 1 23 12 ALA . 19876 1 24 13 GLN . 19876 1 25 14 LEU . 19876 1 26 15 LYS . 19876 1 27 16 PHE . 19876 1 28 17 LEU . 19876 1 29 18 CYS . 19876 1 30 19 GLU . 19876 1 31 20 SER . 19876 1 32 21 LEU . 19876 1 33 22 TYR . 19876 1 34 23 ASP . 19876 1 35 24 GLU . 19876 1 36 25 GLY . 19876 1 37 26 ILE . 19876 1 38 27 ALA . 19876 1 39 28 THR . 19876 1 40 29 LEU . 19876 1 41 30 GLY . 19876 1 42 31 ASP . 19876 1 43 32 SER . 19876 1 44 33 HIS . 19876 1 45 34 HIS . 19876 1 46 35 GLY . 19876 1 47 36 TRP . 19876 1 48 37 VAL . 19876 1 49 38 ASN . 19876 1 50 39 ASP . 19876 1 51 40 PRO . 19876 1 52 41 THR . 19876 1 53 42 SER . 19876 1 54 43 ALA . 19876 1 55 44 VAL . 19876 1 56 45 ASN . 19876 1 57 46 LEU . 19876 1 58 47 GLN . 19876 1 59 48 LEU . 19876 1 60 49 ASN . 19876 1 61 50 ASP . 19876 1 62 51 LEU . 19876 1 63 52 ILE . 19876 1 64 53 GLU . 19876 1 65 54 HIS . 19876 1 66 55 ILE . 19876 1 67 56 ALA . 19876 1 68 57 SER . 19876 1 69 58 PHE . 19876 1 70 59 VAL . 19876 1 71 60 MET . 19876 1 72 61 SER . 19876 1 73 62 PHE . 19876 1 74 63 LYS . 19876 1 75 64 ILE . 19876 1 76 65 LYS . 19876 1 77 66 TYR . 19876 1 78 67 PRO . 19876 1 79 68 ASP . 19876 1 80 69 ASP . 19876 1 81 70 GLY . 19876 1 82 71 ASP . 19876 1 83 72 LEU . 19876 1 84 73 SER . 19876 1 85 74 GLU . 19876 1 86 75 LEU . 19876 1 87 76 VAL . 19876 1 88 77 GLU . 19876 1 89 78 GLU . 19876 1 90 79 TYR . 19876 1 91 80 LEU . 19876 1 92 81 ASP . 19876 1 93 82 ASP . 19876 1 94 83 THR . 19876 1 95 84 TYR . 19876 1 96 85 THR . 19876 1 97 86 LEU . 19876 1 98 87 PHE . 19876 1 99 88 SER . 19876 1 100 89 SER . 19876 1 101 90 TYR . 19876 1 102 91 GLY . 19876 1 103 92 ILE . 19876 1 104 93 ASN . 19876 1 105 94 ASP . 19876 1 106 95 PRO . 19876 1 107 96 GLU . 19876 1 108 97 LEU . 19876 1 109 98 GLN . 19876 1 110 99 ARG . 19876 1 111 100 TRP . 19876 1 112 101 GLN . 19876 1 113 102 LYS . 19876 1 114 103 THR . 19876 1 115 104 LYS . 19876 1 116 105 GLU . 19876 1 117 106 ARG . 19876 1 118 107 LEU . 19876 1 119 108 PHE . 19876 1 120 109 ARG . 19876 1 121 110 LEU . 19876 1 122 111 PHE . 19876 1 123 112 SER . 19876 1 124 113 GLY . 19876 1 125 114 GLU . 19876 1 126 115 TYR . 19876 1 127 116 ILE . 19876 1 128 117 SER . 19876 1 129 118 THR . 19876 1 130 119 LEU . 19876 1 131 120 MET . 19876 1 132 121 LYS . 19876 1 133 122 THR . 19876 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 . MET 1 1 19876 1 . SER 2 2 19876 1 . HIS 3 3 19876 1 . HIS 4 4 19876 1 . HIS 5 5 19876 1 . HIS 6 6 19876 1 . HIS 7 7 19876 1 . HIS 8 8 19876 1 . SER 9 9 19876 1 . MET 10 10 19876 1 . GLY 11 11 19876 1 . MET 12 12 19876 1 . ASP 13 13 19876 1 . GLU 14 14 19876 1 . TYR 15 15 19876 1 . SER 16 16 19876 1 . PRO 17 17 19876 1 . LYS 18 18 19876 1 . ARG 19 19 19876 1 . HIS 20 20 19876 1 . ASP 21 21 19876 1 . VAL 22 22 19876 1 . ALA 23 23 19876 1 . GLN 24 24 19876 1 . LEU 25 25 19876 1 . LYS 26 26 19876 1 . PHE 27 27 19876 1 . LEU 28 28 19876 1 . CYS 29 29 19876 1 . GLU 30 30 19876 1 . SER 31 31 19876 1 . LEU 32 32 19876 1 . TYR 33 33 19876 1 . ASP 34 34 19876 1 . GLU 35 35 19876 1 . GLY 36 36 19876 1 . ILE 37 37 19876 1 . ALA 38 38 19876 1 . THR 39 39 19876 1 . LEU 40 40 19876 1 . GLY 41 41 19876 1 . ASP 42 42 19876 1 . SER 43 43 19876 1 . HIS 44 44 19876 1 . HIS 45 45 19876 1 . GLY 46 46 19876 1 . TRP 47 47 19876 1 . VAL 48 48 19876 1 . ASN 49 49 19876 1 . ASP 50 50 19876 1 . PRO 51 51 19876 1 . THR 52 52 19876 1 . SER 53 53 19876 1 . ALA 54 54 19876 1 . VAL 55 55 19876 1 . ASN 56 56 19876 1 . LEU 57 57 19876 1 . GLN 58 58 19876 1 . LEU 59 59 19876 1 . ASN 60 60 19876 1 . ASP 61 61 19876 1 . LEU 62 62 19876 1 . ILE 63 63 19876 1 . GLU 64 64 19876 1 . HIS 65 65 19876 1 . ILE 66 66 19876 1 . ALA 67 67 19876 1 . SER 68 68 19876 1 . PHE 69 69 19876 1 . VAL 70 70 19876 1 . MET 71 71 19876 1 . SER 72 72 19876 1 . PHE 73 73 19876 1 . LYS 74 74 19876 1 . ILE 75 75 19876 1 . LYS 76 76 19876 1 . TYR 77 77 19876 1 . PRO 78 78 19876 1 . ASP 79 79 19876 1 . ASP 80 80 19876 1 . GLY 81 81 19876 1 . ASP 82 82 19876 1 . LEU 83 83 19876 1 . SER 84 84 19876 1 . GLU 85 85 19876 1 . LEU 86 86 19876 1 . VAL 87 87 19876 1 . GLU 88 88 19876 1 . GLU 89 89 19876 1 . TYR 90 90 19876 1 . LEU 91 91 19876 1 . ASP 92 92 19876 1 . ASP 93 93 19876 1 . THR 94 94 19876 1 . TYR 95 95 19876 1 . THR 96 96 19876 1 . LEU 97 97 19876 1 . PHE 98 98 19876 1 . SER 99 99 19876 1 . SER 100 100 19876 1 . TYR 101 101 19876 1 . GLY 102 102 19876 1 . ILE 103 103 19876 1 . ASN 104 104 19876 1 . ASP 105 105 19876 1 . PRO 106 106 19876 1 . GLU 107 107 19876 1 . LEU 108 108 19876 1 . GLN 109 109 19876 1 . ARG 110 110 19876 1 . TRP 111 111 19876 1 . GLN 112 112 19876 1 . LYS 113 113 19876 1 . THR 114 114 19876 1 . LYS 115 115 19876 1 . GLU 116 116 19876 1 . ARG 117 117 19876 1 . LEU 118 118 19876 1 . PHE 119 119 19876 1 . ARG 120 120 19876 1 . LEU 121 121 19876 1 . PHE 122 122 19876 1 . SER 123 123 19876 1 . GLY 124 124 19876 1 . GLU 125 125 19876 1 . TYR 126 126 19876 1 . ILE 127 127 19876 1 . SER 128 128 19876 1 . THR 129 129 19876 1 . LEU 130 130 19876 1 . MET 131 131 19876 1 . LYS 132 132 19876 1 . THR 133 133 19876 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 19876 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 630 organism . 'Yersinia enterocolitica' enterobacteria . . Bacteria . Yersinia enterocolitica W22711 . . . . . . . . . . . . . . . ymoB . . . . 19876 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 19876 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pHAT2 . . . . . . 19876 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19876 _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 YmoB-C117S 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 19876 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19876 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19876 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19876 1 5 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19876 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 19876 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19876 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19876 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19876 _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 YmoB-C117S '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19876 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19876 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19876 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19876 2 5 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19876 2 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 19876 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19876 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19876 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19876 _Sample.ID 3 _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 YmoB-C117S '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19876 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19876 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19876 3 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19876 3 5 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19876 3 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 19876 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19876 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19876 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19876 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 YmoB-C117S '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19876 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19876 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19876 4 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19876 4 5 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19876 4 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 19876 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19876 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19876 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19876 _Sample.ID 5 _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 YmoB-C117S '[U-10% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19876 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19876 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19876 5 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19876 5 5 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19876 5 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 19876 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19876 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19876 5 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 19876 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.00 . pH 19876 1 pressure 1 . atm 19876 1 temperature 298 . K 19876 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19876 _Software.ID 1 _Software.Name TOPSPIN _Software.Version '2.0 and 3.0' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19876 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19876 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19876 _Software.ID 2 _Software.Name VNMRJ _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19876 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19876 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19876 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19876 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19876 3 stop_ save_ save_MddNMR _Software.Sf_category software _Software.Sf_framecode MddNMR _Software.Entry_ID 19876 _Software.ID 4 _Software.Name MddNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk, Swedish NMR Center, University of Gothenburg' . . 19876 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19876 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19876 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19876 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19876 5 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19876 _Software.ID 6 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19876 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19876 6 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19876 _Software.ID 7 _Software.Name CARA _Software.Version '1.9.0 Beta 3' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(c) 2000-2010 by Rochus Keller and others' . . 19876 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19876 7 'peak picking' 19876 7 stop_ save_ save_Unio'10 _Software.Sf_category software _Software.Sf_framecode Unio'10 _Software.Entry_ID 19876 _Software.ID 8 _Software.Name Unio'10 _Software.Version 'Version 2.0.2' _Software.Details 'ATNOS/CANDID protocol for automated sequence-specific NMR signal identification and NOE resonance assignment was used.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '2002-2011 Torsten Herrmann' . . 19876 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19876 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19876 _Software.ID 9 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19876 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19876 9 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19876 _Software.ID 10 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19876 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19876 10 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19876 _Software.ID 11 _Software.Name CNS _Software.Version 1.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19876 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19876 11 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19876 _Software.ID 12 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19876 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19876 12 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19876 _Software.ID 13 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19876 13 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19876 13 stop_ save_ save_PyMol _Software.Sf_category software _Software.Sf_framecode PyMol _Software.Entry_ID 19876 _Software.ID 14 _Software.Name PyMol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schr dinger, LLC.' . . 19876 14 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19876 14 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 19876 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19876 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19876 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19876 _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 DRX . 800 . . . 19876 1 2 spectrometer_2 Varian INOVA . 900 . . . 19876 1 3 spectrometer_3 Varian INOVA . 800 . . . 19876 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 19876 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 2 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 3 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 6 '2D 1H-13C HSQC aliphatic Constant Time' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19876 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19876 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19876 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19876 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19876 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19876 1 14 '3D HccH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19876 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19876 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19876 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19876 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 19876 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19876 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19876 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19876 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 19876 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19876 1 2 '3D HNCO' . . . 19876 1 3 '3D HN(CO)CA' . . . 19876 1 4 '3D CBCA(CO)NH' . . . 19876 1 5 '2D 1H-13C HSQC' . . . 19876 1 6 '2D 1H-13C HSQC aliphatic Constant Time' . . . 19876 1 7 '3D HBHA(CO)NH' . . . 19876 1 8 '3D HNCACB' . . . 19876 1 9 '2D 1H-15N HSQC' . . . 19876 1 10 '2D 1H-13C HSQC aliphatic' . . . 19876 1 11 '2D 1H-13C HSQC aliphatic' . . . 19876 1 12 '2D 1H-13C HSQC aromatic' . . . 19876 1 13 '3D HCCH-TOCSY' . . . 19876 1 14 '3D HccH-TOCSY' . . . 19876 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 12 12 MET H H 1 8.001 0.020 . 1 . . . A 1 MET H . 19876 1 2 . 1 1 12 12 MET HA H 1 4.438 0.020 . 1 . . . A 1 MET HA . 19876 1 3 . 1 1 12 12 MET HB2 H 1 1.918 0.020 . 2 . . . A 1 MET HB2 . 19876 1 4 . 1 1 12 12 MET HB3 H 1 1.789 0.020 . 2 . . . A 1 MET HB3 . 19876 1 5 . 1 1 12 12 MET HG2 H 1 2.273 0.020 . 2 . . . A 1 MET HG2 . 19876 1 6 . 1 1 12 12 MET HG3 H 1 2.110 0.020 . 2 . . . A 1 MET HG3 . 19876 1 7 . 1 1 12 12 MET HE1 H 1 1.538 0.020 . 1 . . . A 1 MET HE1 . 19876 1 8 . 1 1 12 12 MET HE2 H 1 1.538 0.020 . 1 . . . A 1 MET HE2 . 19876 1 9 . 1 1 12 12 MET HE3 H 1 1.538 0.020 . 1 . . . A 1 MET HE3 . 19876 1 10 . 1 1 12 12 MET C C 13 174.077 0.3 . 1 . . . A 1 MET C . 19876 1 11 . 1 1 12 12 MET CA C 13 55.316 0.3 . 1 . . . A 1 MET CA . 19876 1 12 . 1 1 12 12 MET CB C 13 33.920 0.3 . 1 . . . A 1 MET CB . 19876 1 13 . 1 1 12 12 MET CG C 13 31.615 0.3 . 1 . . . A 1 MET CG . 19876 1 14 . 1 1 12 12 MET CE C 13 16.678 0.3 . 1 . . . A 1 MET CE . 19876 1 15 . 1 1 12 12 MET N N 15 119.686 0.3 . 1 . . . A 1 MET N . 19876 1 16 . 1 1 13 13 ASP H H 1 8.386 0.020 . 1 . . . A 2 ASP H . 19876 1 17 . 1 1 13 13 ASP HA H 1 4.444 0.020 . 1 . . . A 2 ASP HA . 19876 1 18 . 1 1 13 13 ASP HB2 H 1 2.718 0.020 . 2 . . . A 2 ASP HB2 . 19876 1 19 . 1 1 13 13 ASP HB3 H 1 2.596 0.020 . 2 . . . A 2 ASP HB3 . 19876 1 20 . 1 1 13 13 ASP C C 13 174.891 0.3 . 1 . . . A 2 ASP C . 19876 1 21 . 1 1 13 13 ASP CA C 13 53.622 0.3 . 1 . . . A 2 ASP CA . 19876 1 22 . 1 1 13 13 ASP CB C 13 41.319 0.3 . 1 . . . A 2 ASP CB . 19876 1 23 . 1 1 13 13 ASP N N 15 122.949 0.3 . 1 . . . A 2 ASP N . 19876 1 24 . 1 1 14 14 GLU H H 1 8.601 0.020 . 1 . . . A 3 GLU H . 19876 1 25 . 1 1 14 14 GLU HA H 1 3.864 0.020 . 1 . . . A 3 GLU HA . 19876 1 26 . 1 1 14 14 GLU HB2 H 1 1.525 0.020 . 1 . . . A 3 GLU HB2 . 19876 1 27 . 1 1 14 14 GLU HB3 H 1 1.525 0.020 . 1 . . . A 3 GLU HB3 . 19876 1 28 . 1 1 14 14 GLU HG2 H 1 1.748 0.020 . 2 . . . A 3 GLU HG2 . 19876 1 29 . 1 1 14 14 GLU HG3 H 1 1.701 0.020 . 2 . . . A 3 GLU HG3 . 19876 1 30 . 1 1 14 14 GLU C C 13 175.006 0.3 . 1 . . . A 3 GLU C . 19876 1 31 . 1 1 14 14 GLU CA C 13 58.073 0.3 . 1 . . . A 3 GLU CA . 19876 1 32 . 1 1 14 14 GLU CB C 13 29.567 0.3 . 1 . . . A 3 GLU CB . 19876 1 33 . 1 1 14 14 GLU CG C 13 35.912 0.3 . 1 . . . A 3 GLU CG . 19876 1 34 . 1 1 14 14 GLU N N 15 119.296 0.3 . 1 . . . A 3 GLU N . 19876 1 35 . 1 1 15 15 TYR H H 1 8.049 0.020 . 1 . . . A 4 TYR H . 19876 1 36 . 1 1 15 15 TYR HA H 1 4.453 0.020 . 1 . . . A 4 TYR HA . 19876 1 37 . 1 1 15 15 TYR HB2 H 1 3.020 0.020 . 2 . . . A 4 TYR HB2 . 19876 1 38 . 1 1 15 15 TYR HB3 H 1 2.720 0.020 . 2 . . . A 4 TYR HB3 . 19876 1 39 . 1 1 15 15 TYR HD1 H 1 6.966 0.020 . 1 . . . A 4 TYR HD1 . 19876 1 40 . 1 1 15 15 TYR HD2 H 1 6.966 0.020 . 1 . . . A 4 TYR HD2 . 19876 1 41 . 1 1 15 15 TYR HE1 H 1 6.539 0.020 . 1 . . . A 4 TYR HE1 . 19876 1 42 . 1 1 15 15 TYR HE2 H 1 6.539 0.020 . 1 . . . A 4 TYR HE2 . 19876 1 43 . 1 1 15 15 TYR C C 13 174.761 0.3 . 1 . . . A 4 TYR C . 19876 1 44 . 1 1 15 15 TYR CA C 13 57.574 0.3 . 1 . . . A 4 TYR CA . 19876 1 45 . 1 1 15 15 TYR CB C 13 38.995 0.3 . 1 . . . A 4 TYR CB . 19876 1 46 . 1 1 15 15 TYR N N 15 118.038 0.3 . 1 . . . A 4 TYR N . 19876 1 47 . 1 1 16 16 SER H H 1 7.759 0.020 . 1 . . . A 5 SER H . 19876 1 48 . 1 1 16 16 SER HA H 1 4.444 0.020 . 1 . . . A 5 SER HA . 19876 1 49 . 1 1 16 16 SER HB2 H 1 3.880 0.020 . 2 . . . A 5 SER HB2 . 19876 1 50 . 1 1 16 16 SER HB3 H 1 3.796 0.020 . 2 . . . A 5 SER HB3 . 19876 1 51 . 1 1 16 16 SER C C 13 171.907 0.3 . 1 . . . A 5 SER C . 19876 1 52 . 1 1 16 16 SER CA C 13 57.173 0.3 . 1 . . . A 5 SER CA . 19876 1 53 . 1 1 16 16 SER CB C 13 62.104 0.3 . 1 . . . A 5 SER CB . 19876 1 54 . 1 1 16 16 SER N N 15 118.519 0.3 . 1 . . . A 5 SER N . 19876 1 55 . 1 1 17 17 PRO HA H 1 4.444 0.020 . 1 . . . A 6 PRO HA . 19876 1 56 . 1 1 17 17 PRO HB2 H 1 2.315 0.020 . 2 . . . A 6 PRO HB2 . 19876 1 57 . 1 1 17 17 PRO HB3 H 1 1.954 0.020 . 2 . . . A 6 PRO HB3 . 19876 1 58 . 1 1 17 17 PRO HG2 H 1 1.958 0.020 . 2 . . . A 6 PRO HG2 . 19876 1 59 . 1 1 17 17 PRO HG3 H 1 1.883 0.020 . 2 . . . A 6 PRO HG3 . 19876 1 60 . 1 1 17 17 PRO HD2 H 1 3.680 0.020 . 2 . . . A 6 PRO HD2 . 19876 1 61 . 1 1 17 17 PRO HD3 H 1 3.561 0.020 . 2 . . . A 6 PRO HD3 . 19876 1 62 . 1 1 17 17 PRO CA C 13 63.597 0.3 . 1 . . . A 6 PRO CA . 19876 1 63 . 1 1 17 17 PRO CB C 13 32.048 0.3 . 1 . . . A 6 PRO CB . 19876 1 64 . 1 1 17 17 PRO CG C 13 27.572 0.3 . 1 . . . A 6 PRO CG . 19876 1 65 . 1 1 18 18 LYS HD2 H 1 1.397 0.020 . 2 . . . A 7 LYS HD2 . 19876 1 66 . 1 1 18 18 LYS HD3 H 1 1.294 0.020 . 2 . . . A 7 LYS HD3 . 19876 1 67 . 1 1 18 18 LYS HE2 H 1 2.339 0.020 . 2 . . . A 7 LYS HE2 . 19876 1 68 . 1 1 18 18 LYS HE3 H 1 2.043 0.020 . 2 . . . A 7 LYS HE3 . 19876 1 69 . 1 1 18 18 LYS CD C 13 29.778 0.3 . 1 . . . A 7 LYS CD . 19876 1 70 . 1 1 18 18 LYS CE C 13 41.376 0.3 . 1 . . . A 7 LYS CE . 19876 1 71 . 1 1 19 19 ARG HA H 1 3.788 0.020 . 1 . . . A 8 ARG HA . 19876 1 72 . 1 1 19 19 ARG HB2 H 1 1.783 0.020 . 2 . . . A 8 ARG HB2 . 19876 1 73 . 1 1 19 19 ARG HB3 H 1 1.657 0.020 . 2 . . . A 8 ARG HB3 . 19876 1 74 . 1 1 19 19 ARG HG2 H 1 1.510 0.020 . 2 . . . A 8 ARG HG2 . 19876 1 75 . 1 1 19 19 ARG HG3 H 1 1.446 0.020 . 2 . . . A 8 ARG HG3 . 19876 1 76 . 1 1 19 19 ARG HD2 H 1 3.042 0.020 . 1 . . . A 8 ARG HD2 . 19876 1 77 . 1 1 19 19 ARG HD3 H 1 3.042 0.020 . 1 . . . A 8 ARG HD3 . 19876 1 78 . 1 1 19 19 ARG CA C 13 59.500 0.3 . 1 . . . A 8 ARG CA . 19876 1 79 . 1 1 19 19 ARG CB C 13 29.581 0.3 . 1 . . . A 8 ARG CB . 19876 1 80 . 1 1 19 19 ARG CG C 13 27.153 0.3 . 1 . . . A 8 ARG CG . 19876 1 81 . 1 1 19 19 ARG CD C 13 43.294 0.3 . 1 . . . A 8 ARG CD . 19876 1 82 . 1 1 20 20 HIS H H 1 7.291 0.020 . 1 . . . A 9 HIS H . 19876 1 83 . 1 1 20 20 HIS HA H 1 4.282 0.020 . 1 . . . A 9 HIS HA . 19876 1 84 . 1 1 20 20 HIS HB2 H 1 3.271 0.020 . 2 . . . A 9 HIS HB2 . 19876 1 85 . 1 1 20 20 HIS HB3 H 1 3.103 0.020 . 2 . . . A 9 HIS HB3 . 19876 1 86 . 1 1 20 20 HIS HD2 H 1 7.002 0.020 . 1 . . . A 9 HIS HD2 . 19876 1 87 . 1 1 20 20 HIS HE1 H 1 7.845 0.020 . 1 . . . A 9 HIS HE1 . 19876 1 88 . 1 1 20 20 HIS C C 13 176.264 0.3 . 1 . . . A 9 HIS C . 19876 1 89 . 1 1 20 20 HIS CA C 13 59.043 0.3 . 1 . . . A 9 HIS CA . 19876 1 90 . 1 1 20 20 HIS CB C 13 30.389 0.3 . 1 . . . A 9 HIS CB . 19876 1 91 . 1 1 20 20 HIS N N 15 118.064 0.3 . 1 . . . A 9 HIS N . 19876 1 92 . 1 1 21 21 ASP H H 1 8.221 0.020 . 1 . . . A 10 ASP H . 19876 1 93 . 1 1 21 21 ASP HA H 1 4.583 0.020 . 1 . . . A 10 ASP HA . 19876 1 94 . 1 1 21 21 ASP HB2 H 1 2.937 0.020 . 1 . . . A 10 ASP HB2 . 19876 1 95 . 1 1 21 21 ASP HB3 H 1 2.937 0.020 . 1 . . . A 10 ASP HB3 . 19876 1 96 . 1 1 21 21 ASP C C 13 177.261 0.3 . 1 . . . A 10 ASP C . 19876 1 97 . 1 1 21 21 ASP CA C 13 57.872 0.3 . 1 . . . A 10 ASP CA . 19876 1 98 . 1 1 21 21 ASP CB C 13 40.569 0.3 . 1 . . . A 10 ASP CB . 19876 1 99 . 1 1 21 21 ASP N N 15 122.089 0.3 . 1 . . . A 10 ASP N . 19876 1 100 . 1 1 22 22 VAL H H 1 8.850 0.020 . 1 . . . A 11 VAL H . 19876 1 101 . 1 1 22 22 VAL HA H 1 3.487 0.020 . 1 . . . A 11 VAL HA . 19876 1 102 . 1 1 22 22 VAL HB H 1 1.919 0.020 . 1 . . . A 11 VAL HB . 19876 1 103 . 1 1 22 22 VAL HG11 H 1 0.837 0.020 . 1 . . . A 11 VAL HG11 . 19876 1 104 . 1 1 22 22 VAL HG12 H 1 0.837 0.020 . 1 . . . A 11 VAL HG12 . 19876 1 105 . 1 1 22 22 VAL HG13 H 1 0.837 0.020 . 1 . . . A 11 VAL HG13 . 19876 1 106 . 1 1 22 22 VAL HG21 H 1 0.912 0.020 . 1 . . . A 11 VAL HG21 . 19876 1 107 . 1 1 22 22 VAL HG22 H 1 0.912 0.020 . 1 . . . A 11 VAL HG22 . 19876 1 108 . 1 1 22 22 VAL HG23 H 1 0.912 0.020 . 1 . . . A 11 VAL HG23 . 19876 1 109 . 1 1 22 22 VAL C C 13 175.661 0.3 . 1 . . . A 11 VAL C . 19876 1 110 . 1 1 22 22 VAL CA C 13 66.879 0.3 . 1 . . . A 11 VAL CA . 19876 1 111 . 1 1 22 22 VAL CB C 13 31.426 0.3 . 1 . . . A 11 VAL CB . 19876 1 112 . 1 1 22 22 VAL CG1 C 13 21.765 0.3 . 1 . . . A 11 VAL CG1 . 19876 1 113 . 1 1 22 22 VAL CG2 C 13 23.820 0.3 . 1 . . . A 11 VAL CG2 . 19876 1 114 . 1 1 22 22 VAL N N 15 119.318 0.3 . 1 . . . A 11 VAL N . 19876 1 115 . 1 1 23 23 ALA H H 1 7.676 0.020 . 1 . . . A 12 ALA H . 19876 1 116 . 1 1 23 23 ALA HA H 1 3.769 0.020 . 1 . . . A 12 ALA HA . 19876 1 117 . 1 1 23 23 ALA HB1 H 1 1.352 0.020 . 1 . . . A 12 ALA HB1 . 19876 1 118 . 1 1 23 23 ALA HB2 H 1 1.352 0.020 . 1 . . . A 12 ALA HB2 . 19876 1 119 . 1 1 23 23 ALA HB3 H 1 1.352 0.020 . 1 . . . A 12 ALA HB3 . 19876 1 120 . 1 1 23 23 ALA C C 13 179.484 0.3 . 1 . . . A 12 ALA C . 19876 1 121 . 1 1 23 23 ALA CA C 13 55.268 0.3 . 1 . . . A 12 ALA CA . 19876 1 122 . 1 1 23 23 ALA CB C 13 17.742 0.3 . 1 . . . A 12 ALA CB . 19876 1 123 . 1 1 23 23 ALA N N 15 121.749 0.3 . 1 . . . A 12 ALA N . 19876 1 124 . 1 1 24 24 GLN H H 1 8.151 0.020 . 1 . . . A 13 GLN H . 19876 1 125 . 1 1 24 24 GLN HA H 1 4.007 0.020 . 1 . . . A 13 GLN HA . 19876 1 126 . 1 1 24 24 GLN HB2 H 1 2.058 0.020 . 2 . . . A 13 GLN HB2 . 19876 1 127 . 1 1 24 24 GLN HB3 H 1 1.969 0.020 . 2 . . . A 13 GLN HB3 . 19876 1 128 . 1 1 24 24 GLN HG2 H 1 2.127 0.020 . 2 . . . A 13 GLN HG2 . 19876 1 129 . 1 1 24 24 GLN HG3 H 1 1.986 0.020 . 2 . . . A 13 GLN HG3 . 19876 1 130 . 1 1 24 24 GLN HE21 H 1 6.811 0.020 . 1 . . . A 13 GLN HE21 . 19876 1 131 . 1 1 24 24 GLN HE22 H 1 6.719 0.020 . 1 . . . A 13 GLN HE22 . 19876 1 132 . 1 1 24 24 GLN C C 13 176.075 0.3 . 1 . . . A 13 GLN C . 19876 1 133 . 1 1 24 24 GLN CA C 13 58.232 0.3 . 1 . . . A 13 GLN CA . 19876 1 134 . 1 1 24 24 GLN CB C 13 27.750 0.3 . 1 . . . A 13 GLN CB . 19876 1 135 . 1 1 24 24 GLN CG C 13 32.891 0.3 . 1 . . . A 13 GLN CG . 19876 1 136 . 1 1 24 24 GLN N N 15 119.544 0.3 . 1 . . . A 13 GLN N . 19876 1 137 . 1 1 24 24 GLN NE2 N 15 109.935 0.3 . 1 . . . A 13 GLN NE2 . 19876 1 138 . 1 1 25 25 LEU H H 1 7.889 0.020 . 1 . . . A 14 LEU H . 19876 1 139 . 1 1 25 25 LEU HA H 1 3.556 0.020 . 1 . . . A 14 LEU HA . 19876 1 140 . 1 1 25 25 LEU HB2 H 1 1.868 0.020 . 2 . . . A 14 LEU HB2 . 19876 1 141 . 1 1 25 25 LEU HB3 H 1 1.526 0.020 . 2 . . . A 14 LEU HB3 . 19876 1 142 . 1 1 25 25 LEU HG H 1 1.445 0.020 . 1 . . . A 14 LEU HG . 19876 1 143 . 1 1 25 25 LEU HD11 H 1 0.583 0.020 . 1 . . . A 14 LEU HD11 . 19876 1 144 . 1 1 25 25 LEU HD12 H 1 0.583 0.020 . 1 . . . A 14 LEU HD12 . 19876 1 145 . 1 1 25 25 LEU HD13 H 1 0.583 0.020 . 1 . . . A 14 LEU HD13 . 19876 1 146 . 1 1 25 25 LEU HD21 H 1 0.274 0.020 . 1 . . . A 14 LEU HD21 . 19876 1 147 . 1 1 25 25 LEU HD22 H 1 0.274 0.020 . 1 . . . A 14 LEU HD22 . 19876 1 148 . 1 1 25 25 LEU HD23 H 1 0.274 0.020 . 1 . . . A 14 LEU HD23 . 19876 1 149 . 1 1 25 25 LEU C C 13 176.935 0.3 . 1 . . . A 14 LEU C . 19876 1 150 . 1 1 25 25 LEU CA C 13 57.724 0.3 . 1 . . . A 14 LEU CA . 19876 1 151 . 1 1 25 25 LEU CB C 13 41.687 0.3 . 1 . . . A 14 LEU CB . 19876 1 152 . 1 1 25 25 LEU CG C 13 26.731 0.3 . 1 . . . A 14 LEU CG . 19876 1 153 . 1 1 25 25 LEU CD1 C 13 22.908 0.3 . 1 . . . A 14 LEU CD1 . 19876 1 154 . 1 1 25 25 LEU CD2 C 13 25.220 0.3 . 1 . . . A 14 LEU CD2 . 19876 1 155 . 1 1 25 25 LEU N N 15 121.127 0.3 . 1 . . . A 14 LEU N . 19876 1 156 . 1 1 26 26 LYS H H 1 8.174 0.020 . 1 . . . A 15 LYS H . 19876 1 157 . 1 1 26 26 LYS HA H 1 2.662 0.020 . 1 . . . A 15 LYS HA . 19876 1 158 . 1 1 26 26 LYS HB2 H 1 1.320 0.020 . 2 . . . A 15 LYS HB2 . 19876 1 159 . 1 1 26 26 LYS HB3 H 1 0.416 0.020 . 2 . . . A 15 LYS HB3 . 19876 1 160 . 1 1 26 26 LYS HG2 H 1 0.013 0.020 . 1 . . . A 15 LYS HG2 . 19876 1 161 . 1 1 26 26 LYS HG3 H 1 0.013 0.020 . 1 . . . A 15 LYS HG3 . 19876 1 162 . 1 1 26 26 LYS HD2 H 1 1.111 0.020 . 2 . . . A 15 LYS HD2 . 19876 1 163 . 1 1 26 26 LYS HD3 H 1 0.919 0.020 . 2 . . . A 15 LYS HD3 . 19876 1 164 . 1 1 26 26 LYS HE2 H 1 2.634 0.020 . 2 . . . A 15 LYS HE2 . 19876 1 165 . 1 1 26 26 LYS HE3 H 1 2.522 0.020 . 2 . . . A 15 LYS HE3 . 19876 1 166 . 1 1 26 26 LYS C C 13 176.022 0.3 . 1 . . . A 15 LYS C . 19876 1 167 . 1 1 26 26 LYS CA C 13 60.038 0.3 . 1 . . . A 15 LYS CA . 19876 1 168 . 1 1 26 26 LYS CB C 13 32.211 0.3 . 1 . . . A 15 LYS CB . 19876 1 169 . 1 1 26 26 LYS CG C 13 24.591 0.3 . 1 . . . A 15 LYS CG . 19876 1 170 . 1 1 26 26 LYS CD C 13 29.862 0.3 . 1 . . . A 15 LYS CD . 19876 1 171 . 1 1 26 26 LYS CE C 13 41.619 0.3 . 1 . . . A 15 LYS CE . 19876 1 172 . 1 1 26 26 LYS N N 15 120.458 0.3 . 1 . . . A 15 LYS N . 19876 1 173 . 1 1 27 27 PHE H H 1 7.855 0.020 . 1 . . . A 16 PHE H . 19876 1 174 . 1 1 27 27 PHE HA H 1 4.187 0.020 . 1 . . . A 16 PHE HA . 19876 1 175 . 1 1 27 27 PHE HB2 H 1 3.026 0.020 . 2 . . . A 16 PHE HB2 . 19876 1 176 . 1 1 27 27 PHE HB3 H 1 2.944 0.020 . 2 . . . A 16 PHE HB3 . 19876 1 177 . 1 1 27 27 PHE HD1 H 1 7.011 0.020 . 1 . . . A 16 PHE HD1 . 19876 1 178 . 1 1 27 27 PHE HD2 H 1 7.011 0.020 . 1 . . . A 16 PHE HD2 . 19876 1 179 . 1 1 27 27 PHE HE1 H 1 6.990 0.020 . 1 . . . A 16 PHE HE1 . 19876 1 180 . 1 1 27 27 PHE HE2 H 1 6.990 0.020 . 1 . . . A 16 PHE HE2 . 19876 1 181 . 1 1 27 27 PHE HZ H 1 6.731 0.020 . 1 . . . A 16 PHE HZ . 19876 1 182 . 1 1 27 27 PHE C C 13 177.917 0.3 . 1 . . . A 16 PHE C . 19876 1 183 . 1 1 27 27 PHE CA C 13 60.330 0.3 . 1 . . . A 16 PHE CA . 19876 1 184 . 1 1 27 27 PHE CB C 13 38.494 0.3 . 1 . . . A 16 PHE CB . 19876 1 185 . 1 1 27 27 PHE N N 15 119.257 0.3 . 1 . . . A 16 PHE N . 19876 1 186 . 1 1 28 28 LEU H H 1 8.560 0.020 . 1 . . . A 17 LEU H . 19876 1 187 . 1 1 28 28 LEU HA H 1 3.598 0.020 . 1 . . . A 17 LEU HA . 19876 1 188 . 1 1 28 28 LEU HB2 H 1 1.816 0.020 . 1 . . . A 17 LEU HB2 . 19876 1 189 . 1 1 28 28 LEU HB3 H 1 1.816 0.020 . 1 . . . A 17 LEU HB3 . 19876 1 190 . 1 1 28 28 LEU HG H 1 1.774 0.020 . 1 . . . A 17 LEU HG . 19876 1 191 . 1 1 28 28 LEU HD11 H 1 0.272 0.020 . 1 . . . A 17 LEU HD11 . 19876 1 192 . 1 1 28 28 LEU HD12 H 1 0.272 0.020 . 1 . . . A 17 LEU HD12 . 19876 1 193 . 1 1 28 28 LEU HD13 H 1 0.272 0.020 . 1 . . . A 17 LEU HD13 . 19876 1 194 . 1 1 28 28 LEU HD21 H 1 0.737 0.020 . 1 . . . A 17 LEU HD21 . 19876 1 195 . 1 1 28 28 LEU HD22 H 1 0.737 0.020 . 1 . . . A 17 LEU HD22 . 19876 1 196 . 1 1 28 28 LEU HD23 H 1 0.737 0.020 . 1 . . . A 17 LEU HD23 . 19876 1 197 . 1 1 28 28 LEU C C 13 177.988 0.3 . 1 . . . A 17 LEU C . 19876 1 198 . 1 1 28 28 LEU CA C 13 57.962 0.3 . 1 . . . A 17 LEU CA . 19876 1 199 . 1 1 28 28 LEU CB C 13 41.698 0.3 . 1 . . . A 17 LEU CB . 19876 1 200 . 1 1 28 28 LEU CD1 C 13 25.202 0.3 . 1 . . . A 17 LEU CD1 . 19876 1 201 . 1 1 28 28 LEU CD2 C 13 21.850 0.3 . 1 . . . A 17 LEU CD2 . 19876 1 202 . 1 1 28 28 LEU N N 15 121.489 0.3 . 1 . . . A 17 LEU N . 19876 1 203 . 1 1 29 29 CYS H H 1 8.194 0.020 . 1 . . . A 18 CYS H . 19876 1 204 . 1 1 29 29 CYS HA H 1 4.235 0.020 . 1 . . . A 18 CYS HA . 19876 1 205 . 1 1 29 29 CYS HB2 H 1 3.073 0.020 . 2 . . . A 18 CYS HB2 . 19876 1 206 . 1 1 29 29 CYS HB3 H 1 2.547 0.020 . 2 . . . A 18 CYS HB3 . 19876 1 207 . 1 1 29 29 CYS C C 13 176.987 0.3 . 1 . . . A 18 CYS C . 19876 1 208 . 1 1 29 29 CYS CA C 13 65.574 0.3 . 1 . . . A 18 CYS CA . 19876 1 209 . 1 1 29 29 CYS CB C 13 27.304 0.3 . 1 . . . A 18 CYS CB . 19876 1 210 . 1 1 29 29 CYS N N 15 116.216 0.3 . 1 . . . A 18 CYS N . 19876 1 211 . 1 1 30 30 GLU H H 1 8.842 0.020 . 1 . . . A 19 GLU H . 19876 1 212 . 1 1 30 30 GLU HA H 1 3.885 0.020 . 1 . . . A 19 GLU HA . 19876 1 213 . 1 1 30 30 GLU HB2 H 1 1.915 0.020 . 1 . . . A 19 GLU HB2 . 19876 1 214 . 1 1 30 30 GLU HB3 H 1 1.915 0.020 . 1 . . . A 19 GLU HB3 . 19876 1 215 . 1 1 30 30 GLU HG2 H 1 2.093 0.020 . 2 . . . A 19 GLU HG2 . 19876 1 216 . 1 1 30 30 GLU HG3 H 1 1.985 0.020 . 2 . . . A 19 GLU HG3 . 19876 1 217 . 1 1 30 30 GLU C C 13 176.436 0.3 . 1 . . . A 19 GLU C . 19876 1 218 . 1 1 30 30 GLU CA C 13 59.886 0.3 . 1 . . . A 19 GLU CA . 19876 1 219 . 1 1 30 30 GLU CB C 13 29.281 0.3 . 1 . . . A 19 GLU CB . 19876 1 220 . 1 1 30 30 GLU CG C 13 37.683 0.3 . 1 . . . A 19 GLU CG . 19876 1 221 . 1 1 30 30 GLU N N 15 123.947 0.3 . 1 . . . A 19 GLU N . 19876 1 222 . 1 1 31 31 SER H H 1 8.198 0.020 . 1 . . . A 20 SER H . 19876 1 223 . 1 1 31 31 SER HA H 1 4.056 0.020 . 1 . . . A 20 SER HA . 19876 1 224 . 1 1 31 31 SER HB2 H 1 3.723 0.020 . 2 . . . A 20 SER HB2 . 19876 1 225 . 1 1 31 31 SER HB3 H 1 3.544 0.020 . 2 . . . A 20 SER HB3 . 19876 1 226 . 1 1 31 31 SER C C 13 174.835 0.3 . 1 . . . A 20 SER C . 19876 1 227 . 1 1 31 31 SER CA C 13 61.729 0.3 . 1 . . . A 20 SER CA . 19876 1 228 . 1 1 31 31 SER CB C 13 62.360 0.3 . 1 . . . A 20 SER CB . 19876 1 229 . 1 1 31 31 SER N N 15 116.500 0.3 . 1 . . . A 20 SER N . 19876 1 230 . 1 1 32 32 LEU H H 1 7.970 0.020 . 1 . . . A 21 LEU H . 19876 1 231 . 1 1 32 32 LEU HA H 1 3.911 0.020 . 1 . . . A 21 LEU HA . 19876 1 232 . 1 1 32 32 LEU HB2 H 1 1.985 0.020 . 1 . . . A 21 LEU HB2 . 19876 1 233 . 1 1 32 32 LEU HB3 H 1 1.985 0.020 . 1 . . . A 21 LEU HB3 . 19876 1 234 . 1 1 32 32 LEU HG H 1 1.381 0.020 . 1 . . . A 21 LEU HG . 19876 1 235 . 1 1 32 32 LEU HD11 H 1 0.767 0.020 . 1 . . . A 21 LEU HD11 . 19876 1 236 . 1 1 32 32 LEU HD12 H 1 0.767 0.020 . 1 . . . A 21 LEU HD12 . 19876 1 237 . 1 1 32 32 LEU HD13 H 1 0.767 0.020 . 1 . . . A 21 LEU HD13 . 19876 1 238 . 1 1 32 32 LEU HD21 H 1 0.705 0.020 . 1 . . . A 21 LEU HD21 . 19876 1 239 . 1 1 32 32 LEU HD22 H 1 0.705 0.020 . 1 . . . A 21 LEU HD22 . 19876 1 240 . 1 1 32 32 LEU HD23 H 1 0.705 0.020 . 1 . . . A 21 LEU HD23 . 19876 1 241 . 1 1 32 32 LEU C C 13 175.905 0.3 . 1 . . . A 21 LEU C . 19876 1 242 . 1 1 32 32 LEU CA C 13 57.953 0.3 . 1 . . . A 21 LEU CA . 19876 1 243 . 1 1 32 32 LEU CB C 13 41.609 0.3 . 1 . . . A 21 LEU CB . 19876 1 244 . 1 1 32 32 LEU CG C 13 29.657 0.3 . 1 . . . A 21 LEU CG . 19876 1 245 . 1 1 32 32 LEU CD1 C 13 23.768 0.3 . 1 . . . A 21 LEU CD1 . 19876 1 246 . 1 1 32 32 LEU CD2 C 13 27.238 0.3 . 1 . . . A 21 LEU CD2 . 19876 1 247 . 1 1 32 32 LEU N N 15 121.186 0.3 . 1 . . . A 21 LEU N . 19876 1 248 . 1 1 33 33 TYR H H 1 7.473 0.020 . 1 . . . A 22 TYR H . 19876 1 249 . 1 1 33 33 TYR HA H 1 4.318 0.020 . 1 . . . A 22 TYR HA . 19876 1 250 . 1 1 33 33 TYR HB2 H 1 3.263 0.020 . 2 . . . A 22 TYR HB2 . 19876 1 251 . 1 1 33 33 TYR HB3 H 1 2.959 0.020 . 2 . . . A 22 TYR HB3 . 19876 1 252 . 1 1 33 33 TYR HD1 H 1 6.950 0.020 . 1 . . . A 22 TYR HD1 . 19876 1 253 . 1 1 33 33 TYR HD2 H 1 6.950 0.020 . 1 . . . A 22 TYR HD2 . 19876 1 254 . 1 1 33 33 TYR HE1 H 1 6.658 0.020 . 1 . . . A 22 TYR HE1 . 19876 1 255 . 1 1 33 33 TYR HE2 H 1 6.658 0.020 . 1 . . . A 22 TYR HE2 . 19876 1 256 . 1 1 33 33 TYR C C 13 175.453 0.3 . 1 . . . A 22 TYR C . 19876 1 257 . 1 1 33 33 TYR CA C 13 62.240 0.3 . 1 . . . A 22 TYR CA . 19876 1 258 . 1 1 33 33 TYR CB C 13 37.143 0.3 . 1 . . . A 22 TYR CB . 19876 1 259 . 1 1 33 33 TYR N N 15 119.690 0.3 . 1 . . . A 22 TYR N . 19876 1 260 . 1 1 34 34 ASP H H 1 8.249 0.020 . 1 . . . A 23 ASP H . 19876 1 261 . 1 1 34 34 ASP HA H 1 4.047 0.020 . 1 . . . A 23 ASP HA . 19876 1 262 . 1 1 34 34 ASP HB2 H 1 2.628 0.020 . 2 . . . A 23 ASP HB2 . 19876 1 263 . 1 1 34 34 ASP HB3 H 1 2.459 0.020 . 2 . . . A 23 ASP HB3 . 19876 1 264 . 1 1 34 34 ASP C C 13 178.796 0.3 . 1 . . . A 23 ASP C . 19876 1 265 . 1 1 34 34 ASP CA C 13 57.284 0.3 . 1 . . . A 23 ASP CA . 19876 1 266 . 1 1 34 34 ASP CB C 13 39.883 0.3 . 1 . . . A 23 ASP CB . 19876 1 267 . 1 1 34 34 ASP N N 15 118.291 0.3 . 1 . . . A 23 ASP N . 19876 1 268 . 1 1 35 35 GLU H H 1 8.347 0.020 . 1 . . . A 24 GLU H . 19876 1 269 . 1 1 35 35 GLU HA H 1 3.931 0.020 . 1 . . . A 24 GLU HA . 19876 1 270 . 1 1 35 35 GLU HB2 H 1 1.758 0.020 . 1 . . . A 24 GLU HB2 . 19876 1 271 . 1 1 35 35 GLU HB3 H 1 1.758 0.020 . 1 . . . A 24 GLU HB3 . 19876 1 272 . 1 1 35 35 GLU HG2 H 1 2.100 0.020 . 2 . . . A 24 GLU HG2 . 19876 1 273 . 1 1 35 35 GLU HG3 H 1 2.009 0.020 . 2 . . . A 24 GLU HG3 . 19876 1 274 . 1 1 35 35 GLU C C 13 178.457 0.3 . 1 . . . A 24 GLU C . 19876 1 275 . 1 1 35 35 GLU CA C 13 58.561 0.3 . 1 . . . A 24 GLU CA . 19876 1 276 . 1 1 35 35 GLU CB C 13 28.922 0.3 . 1 . . . A 24 GLU CB . 19876 1 277 . 1 1 35 35 GLU CG C 13 35.621 0.3 . 1 . . . A 24 GLU CG . 19876 1 278 . 1 1 35 35 GLU N N 15 120.605 0.3 . 1 . . . A 24 GLU N . 19876 1 279 . 1 1 36 36 GLY H H 1 8.701 0.020 . 1 . . . A 25 GLY H . 19876 1 280 . 1 1 36 36 GLY HA2 H 1 3.421 0.020 . 2 . . . A 25 GLY HA2 . 19876 1 281 . 1 1 36 36 GLY HA3 H 1 3.032 0.020 . 2 . . . A 25 GLY HA3 . 19876 1 282 . 1 1 36 36 GLY C C 13 173.906 0.3 . 1 . . . A 25 GLY C . 19876 1 283 . 1 1 36 36 GLY CA C 13 47.468 0.3 . 1 . . . A 25 GLY CA . 19876 1 284 . 1 1 36 36 GLY N N 15 111.777 0.3 . 1 . . . A 25 GLY N . 19876 1 285 . 1 1 37 37 ILE H H 1 8.717 0.020 . 1 . . . A 26 ILE H . 19876 1 286 . 1 1 37 37 ILE HA H 1 3.757 0.020 . 1 . . . A 26 ILE HA . 19876 1 287 . 1 1 37 37 ILE HB H 1 1.829 0.020 . 1 . . . A 26 ILE HB . 19876 1 288 . 1 1 37 37 ILE HG12 H 1 1.116 0.020 . 2 . . . A 26 ILE HG12 . 19876 1 289 . 1 1 37 37 ILE HG13 H 1 0.869 0.020 . 2 . . . A 26 ILE HG13 . 19876 1 290 . 1 1 37 37 ILE HG21 H 1 0.699 0.020 . 1 . . . A 26 ILE HG21 . 19876 1 291 . 1 1 37 37 ILE HG22 H 1 0.699 0.020 . 1 . . . A 26 ILE HG22 . 19876 1 292 . 1 1 37 37 ILE HG23 H 1 0.699 0.020 . 1 . . . A 26 ILE HG23 . 19876 1 293 . 1 1 37 37 ILE HD11 H 1 0.652 0.020 . 1 . . . A 26 ILE HD11 . 19876 1 294 . 1 1 37 37 ILE HD12 H 1 0.652 0.020 . 1 . . . A 26 ILE HD12 . 19876 1 295 . 1 1 37 37 ILE HD13 H 1 0.652 0.020 . 1 . . . A 26 ILE HD13 . 19876 1 296 . 1 1 37 37 ILE C C 13 178.116 0.3 . 1 . . . A 26 ILE C . 19876 1 297 . 1 1 37 37 ILE CA C 13 62.231 0.3 . 1 . . . A 26 ILE CA . 19876 1 298 . 1 1 37 37 ILE CB C 13 35.688 0.3 . 1 . . . A 26 ILE CB . 19876 1 299 . 1 1 37 37 ILE CG1 C 13 26.774 0.3 . 1 . . . A 26 ILE CG1 . 19876 1 300 . 1 1 37 37 ILE CG2 C 13 17.398 0.3 . 1 . . . A 26 ILE CG2 . 19876 1 301 . 1 1 37 37 ILE CD1 C 13 9.875 0.3 . 1 . . . A 26 ILE CD1 . 19876 1 302 . 1 1 37 37 ILE N N 15 122.263 0.3 . 1 . . . A 26 ILE N . 19876 1 303 . 1 1 38 38 ALA H H 1 7.672 0.020 . 1 . . . A 27 ALA H . 19876 1 304 . 1 1 38 38 ALA HA H 1 3.960 0.020 . 1 . . . A 27 ALA HA . 19876 1 305 . 1 1 38 38 ALA HB1 H 1 1.287 0.020 . 1 . . . A 27 ALA HB1 . 19876 1 306 . 1 1 38 38 ALA HB2 H 1 1.287 0.020 . 1 . . . A 27 ALA HB2 . 19876 1 307 . 1 1 38 38 ALA HB3 H 1 1.287 0.020 . 1 . . . A 27 ALA HB3 . 19876 1 308 . 1 1 38 38 ALA C C 13 178.428 0.3 . 1 . . . A 27 ALA C . 19876 1 309 . 1 1 38 38 ALA CA C 13 54.493 0.3 . 1 . . . A 27 ALA CA . 19876 1 310 . 1 1 38 38 ALA CB C 13 18.050 0.3 . 1 . . . A 27 ALA CB . 19876 1 311 . 1 1 38 38 ALA N N 15 122.092 0.3 . 1 . . . A 27 ALA N . 19876 1 312 . 1 1 39 39 THR H H 1 7.554 0.020 . 1 . . . A 28 THR H . 19876 1 313 . 1 1 39 39 THR HA H 1 3.734 0.020 . 1 . . . A 28 THR HA . 19876 1 314 . 1 1 39 39 THR HB H 1 3.991 0.020 . 1 . . . A 28 THR HB . 19876 1 315 . 1 1 39 39 THR HG21 H 1 0.931 0.020 . 1 . . . A 28 THR HG21 . 19876 1 316 . 1 1 39 39 THR HG22 H 1 0.931 0.020 . 1 . . . A 28 THR HG22 . 19876 1 317 . 1 1 39 39 THR HG23 H 1 0.931 0.020 . 1 . . . A 28 THR HG23 . 19876 1 318 . 1 1 39 39 THR C C 13 174.403 0.3 . 1 . . . A 28 THR C . 19876 1 319 . 1 1 39 39 THR CA C 13 65.750 0.3 . 1 . . . A 28 THR CA . 19876 1 320 . 1 1 39 39 THR CB C 13 68.530 0.3 . 1 . . . A 28 THR CB . 19876 1 321 . 1 1 39 39 THR CG2 C 13 21.224 0.3 . 1 . . . A 28 THR CG2 . 19876 1 322 . 1 1 39 39 THR N N 15 115.031 0.3 . 1 . . . A 28 THR N . 19876 1 323 . 1 1 40 40 LEU H H 1 7.580 0.020 . 1 . . . A 29 LEU H . 19876 1 324 . 1 1 40 40 LEU HA H 1 3.810 0.020 . 1 . . . A 29 LEU HA . 19876 1 325 . 1 1 40 40 LEU HB2 H 1 1.686 0.020 . 2 . . . A 29 LEU HB2 . 19876 1 326 . 1 1 40 40 LEU HB3 H 1 1.261 0.020 . 2 . . . A 29 LEU HB3 . 19876 1 327 . 1 1 40 40 LEU HG H 1 1.713 0.020 . 1 . . . A 29 LEU HG . 19876 1 328 . 1 1 40 40 LEU HD11 H 1 0.591 0.020 . 1 . . . A 29 LEU HD11 . 19876 1 329 . 1 1 40 40 LEU HD12 H 1 0.591 0.020 . 1 . . . A 29 LEU HD12 . 19876 1 330 . 1 1 40 40 LEU HD13 H 1 0.591 0.020 . 1 . . . A 29 LEU HD13 . 19876 1 331 . 1 1 40 40 LEU HD21 H 1 0.465 0.020 . 1 . . . A 29 LEU HD21 . 19876 1 332 . 1 1 40 40 LEU HD22 H 1 0.465 0.020 . 1 . . . A 29 LEU HD22 . 19876 1 333 . 1 1 40 40 LEU HD23 H 1 0.465 0.020 . 1 . . . A 29 LEU HD23 . 19876 1 334 . 1 1 40 40 LEU C C 13 176.694 0.3 . 1 . . . A 29 LEU C . 19876 1 335 . 1 1 40 40 LEU CA C 13 56.494 0.3 . 1 . . . A 29 LEU CA . 19876 1 336 . 1 1 40 40 LEU CB C 13 42.179 0.3 . 1 . . . A 29 LEU CB . 19876 1 337 . 1 1 40 40 LEU CG C 13 26.373 0.3 . 1 . . . A 29 LEU CG . 19876 1 338 . 1 1 40 40 LEU CD1 C 13 25.995 0.3 . 1 . . . A 29 LEU CD1 . 19876 1 339 . 1 1 40 40 LEU CD2 C 13 23.357 0.3 . 1 . . . A 29 LEU CD2 . 19876 1 340 . 1 1 40 40 LEU N N 15 121.356 0.3 . 1 . . . A 29 LEU N . 19876 1 341 . 1 1 41 41 GLY HA2 H 1 3.756 0.020 . 2 . . . A 30 GLY HA2 . 19876 1 342 . 1 1 41 41 GLY HA3 H 1 3.323 0.020 . 2 . . . A 30 GLY HA3 . 19876 1 343 . 1 1 41 41 GLY CA C 13 44.903 0.3 . 1 . . . A 30 GLY CA . 19876 1 344 . 1 1 42 42 ASP H H 1 8.017 0.020 . 1 . . . A 31 ASP H . 19876 1 345 . 1 1 42 42 ASP HA H 1 4.563 0.020 . 1 . . . A 31 ASP HA . 19876 1 346 . 1 1 42 42 ASP HB2 H 1 2.607 0.020 . 2 . . . A 31 ASP HB2 . 19876 1 347 . 1 1 42 42 ASP HB3 H 1 2.491 0.020 . 2 . . . A 31 ASP HB3 . 19876 1 348 . 1 1 42 42 ASP C C 13 175.609 0.3 . 1 . . . A 31 ASP C . 19876 1 349 . 1 1 42 42 ASP CA C 13 53.883 0.3 . 1 . . . A 31 ASP CA . 19876 1 350 . 1 1 42 42 ASP CB C 13 41.558 0.3 . 1 . . . A 31 ASP CB . 19876 1 351 . 1 1 42 42 ASP N N 15 119.983 0.3 . 1 . . . A 31 ASP N . 19876 1 352 . 1 1 43 43 SER H H 1 8.284 0.020 . 1 . . . A 32 SER H . 19876 1 353 . 1 1 43 43 SER HA H 1 4.191 0.020 . 1 . . . A 32 SER HA . 19876 1 354 . 1 1 43 43 SER HB2 H 1 3.661 0.020 . 2 . . . A 32 SER HB2 . 19876 1 355 . 1 1 43 43 SER HB3 H 1 3.593 0.020 . 2 . . . A 32 SER HB3 . 19876 1 356 . 1 1 43 43 SER C C 13 178.747 0.3 . 1 . . . A 32 SER C . 19876 1 357 . 1 1 43 43 SER CA C 13 59.247 0.3 . 1 . . . A 32 SER CA . 19876 1 358 . 1 1 43 43 SER CB C 13 63.224 0.3 . 1 . . . A 32 SER CB . 19876 1 359 . 1 1 43 43 SER N N 15 118.027 0.3 . 1 . . . A 32 SER N . 19876 1 360 . 1 1 44 44 HIS HA H 1 4.345 0.020 . 1 . . . A 33 HIS HA . 19876 1 361 . 1 1 44 44 HIS HB2 H 1 2.920 0.020 . 1 . . . A 33 HIS HB2 . 19876 1 362 . 1 1 44 44 HIS HB3 H 1 2.920 0.020 . 1 . . . A 33 HIS HB3 . 19876 1 363 . 1 1 44 44 HIS HD2 H 1 6.824 0.020 . 1 . . . A 33 HIS HD2 . 19876 1 364 . 1 1 44 44 HIS CA C 13 57.029 0.3 . 1 . . . A 33 HIS CA . 19876 1 365 . 1 1 44 44 HIS CB C 13 29.559 0.3 . 1 . . . A 33 HIS CB . 19876 1 366 . 1 1 44 44 HIS CD2 C 13 119.356 0.3 . 1 . . . A 33 HIS CD2 . 19876 1 367 . 1 1 45 45 HIS H H 1 7.896 0.020 . 1 . . . A 34 HIS H . 19876 1 368 . 1 1 45 45 HIS HA H 1 4.484 0.020 . 1 . . . A 34 HIS HA . 19876 1 369 . 1 1 45 45 HIS HB2 H 1 3.128 0.020 . 2 . . . A 34 HIS HB2 . 19876 1 370 . 1 1 45 45 HIS HB3 H 1 2.836 0.020 . 2 . . . A 34 HIS HB3 . 19876 1 371 . 1 1 45 45 HIS HD2 H 1 6.659 0.020 . 1 . . . A 34 HIS HD2 . 19876 1 372 . 1 1 45 45 HIS CA C 13 55.947 0.3 . 1 . . . A 34 HIS CA . 19876 1 373 . 1 1 45 45 HIS CB C 13 29.767 0.3 . 1 . . . A 34 HIS CB . 19876 1 374 . 1 1 45 45 HIS CD2 C 13 118.034 0.3 . 1 . . . A 34 HIS CD2 . 19876 1 375 . 1 1 45 45 HIS N N 15 117.885 0.3 . 1 . . . A 34 HIS N . 19876 1 376 . 1 1 46 46 GLY H H 1 7.864 0.020 . 1 . . . A 35 GLY H . 19876 1 377 . 1 1 46 46 GLY HA2 H 1 3.965 0.020 . 2 . . . A 35 GLY HA2 . 19876 1 378 . 1 1 46 46 GLY HA3 H 1 3.597 0.020 . 2 . . . A 35 GLY HA3 . 19876 1 379 . 1 1 46 46 GLY C C 13 172.466 0.3 . 1 . . . A 35 GLY C . 19876 1 380 . 1 1 46 46 GLY CA C 13 45.299 0.3 . 1 . . . A 35 GLY CA . 19876 1 381 . 1 1 46 46 GLY N N 15 108.681 0.3 . 1 . . . A 35 GLY N . 19876 1 382 . 1 1 47 47 TRP H H 1 7.809 0.020 . 1 . . . A 36 TRP H . 19876 1 383 . 1 1 47 47 TRP HA H 1 4.494 0.020 . 1 . . . A 36 TRP HA . 19876 1 384 . 1 1 47 47 TRP HB2 H 1 3.040 0.020 . 2 . . . A 36 TRP HB2 . 19876 1 385 . 1 1 47 47 TRP HB3 H 1 2.961 0.020 . 2 . . . A 36 TRP HB3 . 19876 1 386 . 1 1 47 47 TRP HD1 H 1 7.076 0.020 . 1 . . . A 36 TRP HD1 . 19876 1 387 . 1 1 47 47 TRP HE1 H 1 10.030 0.020 . 1 . . . A 36 TRP HE1 . 19876 1 388 . 1 1 47 47 TRP HE3 H 1 7.313 0.020 . 1 . . . A 36 TRP HE3 . 19876 1 389 . 1 1 47 47 TRP HZ2 H 1 7.329 0.020 . 1 . . . A 36 TRP HZ2 . 19876 1 390 . 1 1 47 47 TRP HZ3 H 1 6.897 0.020 . 1 . . . A 36 TRP HZ3 . 19876 1 391 . 1 1 47 47 TRP HH2 H 1 6.974 0.020 . 1 . . . A 36 TRP HH2 . 19876 1 392 . 1 1 47 47 TRP C C 13 174.594 0.3 . 1 . . . A 36 TRP C . 19876 1 393 . 1 1 47 47 TRP CA C 13 57.866 0.3 . 1 . . . A 36 TRP CA . 19876 1 394 . 1 1 47 47 TRP CB C 13 29.587 0.3 . 1 . . . A 36 TRP CB . 19876 1 395 . 1 1 47 47 TRP N N 15 120.973 0.3 . 1 . . . A 36 TRP N . 19876 1 396 . 1 1 47 47 TRP NE1 N 15 129.886 0.3 . 1 . . . A 36 TRP NE1 . 19876 1 397 . 1 1 48 48 VAL H H 1 7.712 0.020 . 1 . . . A 37 VAL H . 19876 1 398 . 1 1 48 48 VAL HA H 1 3.787 0.020 . 1 . . . A 37 VAL HA . 19876 1 399 . 1 1 48 48 VAL HB H 1 1.722 0.020 . 1 . . . A 37 VAL HB . 19876 1 400 . 1 1 48 48 VAL HG11 H 1 0.651 0.020 . 1 . . . A 37 VAL HG11 . 19876 1 401 . 1 1 48 48 VAL HG12 H 1 0.651 0.020 . 1 . . . A 37 VAL HG12 . 19876 1 402 . 1 1 48 48 VAL HG13 H 1 0.651 0.020 . 1 . . . A 37 VAL HG13 . 19876 1 403 . 1 1 48 48 VAL HG21 H 1 0.669 0.020 . 1 . . . A 37 VAL HG21 . 19876 1 404 . 1 1 48 48 VAL HG22 H 1 0.669 0.020 . 1 . . . A 37 VAL HG22 . 19876 1 405 . 1 1 48 48 VAL HG23 H 1 0.669 0.020 . 1 . . . A 37 VAL HG23 . 19876 1 406 . 1 1 48 48 VAL C C 13 173.396 0.3 . 1 . . . A 37 VAL C . 19876 1 407 . 1 1 48 48 VAL CA C 13 61.284 0.3 . 1 . . . A 37 VAL CA . 19876 1 408 . 1 1 48 48 VAL CB C 13 33.534 0.3 . 1 . . . A 37 VAL CB . 19876 1 409 . 1 1 48 48 VAL CG1 C 13 21.018 0.3 . 1 . . . A 37 VAL CG1 . 19876 1 410 . 1 1 48 48 VAL CG2 C 13 20.333 0.3 . 1 . . . A 37 VAL CG2 . 19876 1 411 . 1 1 48 48 VAL N N 15 122.778 0.3 . 1 . . . A 37 VAL N . 19876 1 412 . 1 1 49 49 ASN H H 1 7.768 0.020 . 1 . . . A 38 ASN H . 19876 1 413 . 1 1 49 49 ASN HA H 1 4.235 0.020 . 1 . . . A 38 ASN HA . 19876 1 414 . 1 1 49 49 ASN HB2 H 1 2.257 0.020 . 1 . . . A 38 ASN HB2 . 19876 1 415 . 1 1 49 49 ASN HB3 H 1 2.257 0.020 . 1 . . . A 38 ASN HB3 . 19876 1 416 . 1 1 49 49 ASN C C 13 172.186 0.3 . 1 . . . A 38 ASN C . 19876 1 417 . 1 1 49 49 ASN CA C 13 54.070 0.3 . 1 . . . A 38 ASN CA . 19876 1 418 . 1 1 49 49 ASN CB C 13 40.629 0.3 . 1 . . . A 38 ASN CB . 19876 1 419 . 1 1 49 49 ASN N N 15 121.869 0.3 . 1 . . . A 38 ASN N . 19876 1 420 . 1 1 50 50 ASP H H 1 8.300 0.020 . 1 . . . A 39 ASP H . 19876 1 421 . 1 1 50 50 ASP HA H 1 4.859 0.020 . 1 . . . A 39 ASP HA . 19876 1 422 . 1 1 50 50 ASP HB2 H 1 2.728 0.020 . 2 . . . A 39 ASP HB2 . 19876 1 423 . 1 1 50 50 ASP HB3 H 1 2.392 0.020 . 2 . . . A 39 ASP HB3 . 19876 1 424 . 1 1 50 50 ASP C C 13 173.301 0.3 . 1 . . . A 39 ASP C . 19876 1 425 . 1 1 50 50 ASP CA C 13 49.860 0.3 . 1 . . . A 39 ASP CA . 19876 1 426 . 1 1 50 50 ASP CB C 13 41.708 0.3 . 1 . . . A 39 ASP CB . 19876 1 427 . 1 1 50 50 ASP N N 15 123.332 0.3 . 1 . . . A 39 ASP N . 19876 1 428 . 1 1 51 51 PRO HA H 1 4.156 0.020 . 1 . . . A 40 PRO HA . 19876 1 429 . 1 1 51 51 PRO HB2 H 1 2.058 0.020 . 2 . . . A 40 PRO HB2 . 19876 1 430 . 1 1 51 51 PRO HB3 H 1 1.717 0.020 . 2 . . . A 40 PRO HB3 . 19876 1 431 . 1 1 51 51 PRO HG2 H 1 1.312 0.020 . 2 . . . A 40 PRO HG2 . 19876 1 432 . 1 1 51 51 PRO HG3 H 1 1.238 0.020 . 2 . . . A 40 PRO HG3 . 19876 1 433 . 1 1 51 51 PRO HD2 H 1 3.328 0.020 . 2 . . . A 40 PRO HD2 . 19876 1 434 . 1 1 51 51 PRO HD3 H 1 3.289 0.020 . 2 . . . A 40 PRO HD3 . 19876 1 435 . 1 1 51 51 PRO CA C 13 63.934 0.3 . 1 . . . A 40 PRO CA . 19876 1 436 . 1 1 51 51 PRO CB C 13 32.892 0.3 . 1 . . . A 40 PRO CB . 19876 1 437 . 1 1 51 51 PRO CG C 13 26.648 0.3 . 1 . . . A 40 PRO CG . 19876 1 438 . 1 1 51 51 PRO CD C 13 50.912 0.3 . 1 . . . A 40 PRO CD . 19876 1 439 . 1 1 52 52 THR H H 1 7.923 0.020 . 1 . . . A 41 THR H . 19876 1 440 . 1 1 52 52 THR HA H 1 4.191 0.020 . 1 . . . A 41 THR HA . 19876 1 441 . 1 1 52 52 THR HB H 1 4.244 0.020 . 1 . . . A 41 THR HB . 19876 1 442 . 1 1 52 52 THR HG21 H 1 1.053 0.020 . 1 . . . A 41 THR HG21 . 19876 1 443 . 1 1 52 52 THR HG22 H 1 1.053 0.020 . 1 . . . A 41 THR HG22 . 19876 1 444 . 1 1 52 52 THR HG23 H 1 1.053 0.020 . 1 . . . A 41 THR HG23 . 19876 1 445 . 1 1 52 52 THR C C 13 173.405 0.3 . 1 . . . A 41 THR C . 19876 1 446 . 1 1 52 52 THR CA C 13 61.283 0.3 . 1 . . . A 41 THR CA . 19876 1 447 . 1 1 52 52 THR CB C 13 69.351 0.3 . 1 . . . A 41 THR CB . 19876 1 448 . 1 1 52 52 THR CG2 C 13 21.633 0.3 . 1 . . . A 41 THR CG2 . 19876 1 449 . 1 1 52 52 THR N N 15 107.824 0.3 . 1 . . . A 41 THR N . 19876 1 450 . 1 1 53 53 SER H H 1 7.705 0.020 . 1 . . . A 42 SER H . 19876 1 451 . 1 1 53 53 SER HA H 1 4.187 0.020 . 1 . . . A 42 SER HA . 19876 1 452 . 1 1 53 53 SER HB2 H 1 4.097 0.020 . 2 . . . A 42 SER HB2 . 19876 1 453 . 1 1 53 53 SER HB3 H 1 3.931 0.020 . 2 . . . A 42 SER HB3 . 19876 1 454 . 1 1 53 53 SER C C 13 172.750 0.3 . 1 . . . A 42 SER C . 19876 1 455 . 1 1 53 53 SER CA C 13 58.320 0.3 . 1 . . . A 42 SER CA . 19876 1 456 . 1 1 53 53 SER CB C 13 64.569 0.3 . 1 . . . A 42 SER CB . 19876 1 457 . 1 1 53 53 SER N N 15 118.745 0.3 . 1 . . . A 42 SER N . 19876 1 458 . 1 1 54 54 ALA H H 1 8.540 0.020 . 1 . . . A 43 ALA H . 19876 1 459 . 1 1 54 54 ALA HA H 1 3.960 0.020 . 1 . . . A 43 ALA HA . 19876 1 460 . 1 1 54 54 ALA HB1 H 1 1.318 0.020 . 1 . . . A 43 ALA HB1 . 19876 1 461 . 1 1 54 54 ALA HB2 H 1 1.318 0.020 . 1 . . . A 43 ALA HB2 . 19876 1 462 . 1 1 54 54 ALA HB3 H 1 1.318 0.020 . 1 . . . A 43 ALA HB3 . 19876 1 463 . 1 1 54 54 ALA C C 13 178.795 0.3 . 1 . . . A 43 ALA C . 19876 1 464 . 1 1 54 54 ALA CA C 13 55.136 0.3 . 1 . . . A 43 ALA CA . 19876 1 465 . 1 1 54 54 ALA CB C 13 18.144 0.3 . 1 . . . A 43 ALA CB . 19876 1 466 . 1 1 54 54 ALA N N 15 124.591 0.3 . 1 . . . A 43 ALA N . 19876 1 467 . 1 1 55 55 VAL H H 1 7.836 0.020 . 1 . . . A 44 VAL H . 19876 1 468 . 1 1 55 55 VAL HA H 1 3.719 0.020 . 1 . . . A 44 VAL HA . 19876 1 469 . 1 1 55 55 VAL HB H 1 1.910 0.020 . 1 . . . A 44 VAL HB . 19876 1 470 . 1 1 55 55 VAL HG11 H 1 0.793 0.020 . 1 . . . A 44 VAL HG11 . 19876 1 471 . 1 1 55 55 VAL HG12 H 1 0.793 0.020 . 1 . . . A 44 VAL HG12 . 19876 1 472 . 1 1 55 55 VAL HG13 H 1 0.793 0.020 . 1 . . . A 44 VAL HG13 . 19876 1 473 . 1 1 55 55 VAL HG21 H 1 0.859 0.020 . 1 . . . A 44 VAL HG21 . 19876 1 474 . 1 1 55 55 VAL HG22 H 1 0.859 0.020 . 1 . . . A 44 VAL HG22 . 19876 1 475 . 1 1 55 55 VAL HG23 H 1 0.859 0.020 . 1 . . . A 44 VAL HG23 . 19876 1 476 . 1 1 55 55 VAL C C 13 176.057 0.3 . 1 . . . A 44 VAL C . 19876 1 477 . 1 1 55 55 VAL CA C 13 64.702 0.3 . 1 . . . A 44 VAL CA . 19876 1 478 . 1 1 55 55 VAL CB C 13 31.735 0.3 . 1 . . . A 44 VAL CB . 19876 1 479 . 1 1 55 55 VAL CG1 C 13 21.429 0.3 . 1 . . . A 44 VAL CG1 . 19876 1 480 . 1 1 55 55 VAL CG2 C 13 21.224 0.3 . 1 . . . A 44 VAL CG2 . 19876 1 481 . 1 1 55 55 VAL N N 15 115.734 0.3 . 1 . . . A 44 VAL N . 19876 1 482 . 1 1 56 56 ASN H H 1 7.709 0.020 . 1 . . . A 45 ASN H . 19876 1 483 . 1 1 56 56 ASN HA H 1 4.044 0.020 . 1 . . . A 45 ASN HA . 19876 1 484 . 1 1 56 56 ASN HB2 H 1 2.602 0.020 . 2 . . . A 45 ASN HB2 . 19876 1 485 . 1 1 56 56 ASN HB3 H 1 2.499 0.020 . 2 . . . A 45 ASN HB3 . 19876 1 486 . 1 1 56 56 ASN HD21 H 1 7.694 0.020 . 1 . . . A 45 ASN HD21 . 19876 1 487 . 1 1 56 56 ASN HD22 H 1 6.531 0.020 . 1 . . . A 45 ASN HD22 . 19876 1 488 . 1 1 56 56 ASN C C 13 176.022 0.3 . 1 . . . A 45 ASN C . 19876 1 489 . 1 1 56 56 ASN CA C 13 56.835 0.3 . 1 . . . A 45 ASN CA . 19876 1 490 . 1 1 56 56 ASN CB C 13 37.721 0.3 . 1 . . . A 45 ASN CB . 19876 1 491 . 1 1 56 56 ASN N N 15 123.038 0.3 . 1 . . . A 45 ASN N . 19876 1 492 . 1 1 56 56 ASN ND2 N 15 113.500 0.3 . 1 . . . A 45 ASN ND2 . 19876 1 493 . 1 1 57 57 LEU H H 1 8.239 0.020 . 1 . . . A 46 LEU H . 19876 1 494 . 1 1 57 57 LEU HA H 1 3.926 0.020 . 1 . . . A 46 LEU HA . 19876 1 495 . 1 1 57 57 LEU HB2 H 1 1.630 0.020 . 2 . . . A 46 LEU HB2 . 19876 1 496 . 1 1 57 57 LEU HB3 H 1 1.421 0.020 . 2 . . . A 46 LEU HB3 . 19876 1 497 . 1 1 57 57 LEU HG H 1 1.586 0.020 . 1 . . . A 46 LEU HG . 19876 1 498 . 1 1 57 57 LEU HD11 H 1 0.701 0.020 . 1 . . . A 46 LEU HD11 . 19876 1 499 . 1 1 57 57 LEU HD12 H 1 0.701 0.020 . 1 . . . A 46 LEU HD12 . 19876 1 500 . 1 1 57 57 LEU HD13 H 1 0.701 0.020 . 1 . . . A 46 LEU HD13 . 19876 1 501 . 1 1 57 57 LEU HD21 H 1 0.707 0.020 . 1 . . . A 46 LEU HD21 . 19876 1 502 . 1 1 57 57 LEU HD22 H 1 0.707 0.020 . 1 . . . A 46 LEU HD22 . 19876 1 503 . 1 1 57 57 LEU HD23 H 1 0.707 0.020 . 1 . . . A 46 LEU HD23 . 19876 1 504 . 1 1 57 57 LEU C C 13 178.192 0.3 . 1 . . . A 46 LEU C . 19876 1 505 . 1 1 57 57 LEU CA C 13 58.043 0.3 . 1 . . . A 46 LEU CA . 19876 1 506 . 1 1 57 57 LEU CB C 13 40.830 0.3 . 1 . . . A 46 LEU CB . 19876 1 507 . 1 1 57 57 LEU CG C 13 26.805 0.3 . 1 . . . A 46 LEU CG . 19876 1 508 . 1 1 57 57 LEU CD1 C 13 25.072 0.3 . 1 . . . A 46 LEU CD1 . 19876 1 509 . 1 1 57 57 LEU CD2 C 13 22.861 0.3 . 1 . . . A 46 LEU CD2 . 19876 1 510 . 1 1 57 57 LEU N N 15 122.005 0.3 . 1 . . . A 46 LEU N . 19876 1 511 . 1 1 58 58 GLN H H 1 7.825 0.020 . 1 . . . A 47 GLN H . 19876 1 512 . 1 1 58 58 GLN HA H 1 3.971 0.020 . 1 . . . A 47 GLN HA . 19876 1 513 . 1 1 58 58 GLN HB2 H 1 2.014 0.020 . 2 . . . A 47 GLN HB2 . 19876 1 514 . 1 1 58 58 GLN HB3 H 1 1.939 0.020 . 2 . . . A 47 GLN HB3 . 19876 1 515 . 1 1 58 58 GLN HG2 H 1 2.273 0.020 . 1 . . . A 47 GLN HG2 . 19876 1 516 . 1 1 58 58 GLN HG3 H 1 2.273 0.020 . 1 . . . A 47 GLN HG3 . 19876 1 517 . 1 1 58 58 GLN HE21 H 1 7.446 0.020 . 1 . . . A 47 GLN HE21 . 19876 1 518 . 1 1 58 58 GLN HE22 H 1 6.638 0.020 . 1 . . . A 47 GLN HE22 . 19876 1 519 . 1 1 58 58 GLN C C 13 177.762 0.3 . 1 . . . A 47 GLN C . 19876 1 520 . 1 1 58 58 GLN CA C 13 58.691 0.3 . 1 . . . A 47 GLN CA . 19876 1 521 . 1 1 58 58 GLN CB C 13 28.127 0.3 . 1 . . . A 47 GLN CB . 19876 1 522 . 1 1 58 58 GLN CG C 13 34.051 0.3 . 1 . . . A 47 GLN CG . 19876 1 523 . 1 1 58 58 GLN N N 15 119.394 0.3 . 1 . . . A 47 GLN N . 19876 1 524 . 1 1 58 58 GLN NE2 N 15 111.781 0.3 . 1 . . . A 47 GLN NE2 . 19876 1 525 . 1 1 59 59 LEU H H 1 7.625 0.020 . 1 . . . A 48 LEU H . 19876 1 526 . 1 1 59 59 LEU HA H 1 3.743 0.020 . 1 . . . A 48 LEU HA . 19876 1 527 . 1 1 59 59 LEU HB2 H 1 1.375 0.020 . 1 . . . A 48 LEU HB2 . 19876 1 528 . 1 1 59 59 LEU HB3 H 1 1.375 0.020 . 1 . . . A 48 LEU HB3 . 19876 1 529 . 1 1 59 59 LEU HG H 1 1.213 0.020 . 1 . . . A 48 LEU HG . 19876 1 530 . 1 1 59 59 LEU HD11 H 1 0.130 0.020 . 1 . . . A 48 LEU HD11 . 19876 1 531 . 1 1 59 59 LEU HD12 H 1 0.130 0.020 . 1 . . . A 48 LEU HD12 . 19876 1 532 . 1 1 59 59 LEU HD13 H 1 0.130 0.020 . 1 . . . A 48 LEU HD13 . 19876 1 533 . 1 1 59 59 LEU HD21 H 1 0.111 0.020 . 1 . . . A 48 LEU HD21 . 19876 1 534 . 1 1 59 59 LEU HD22 H 1 0.111 0.020 . 1 . . . A 48 LEU HD22 . 19876 1 535 . 1 1 59 59 LEU HD23 H 1 0.111 0.020 . 1 . . . A 48 LEU HD23 . 19876 1 536 . 1 1 59 59 LEU C C 13 177.366 0.3 . 1 . . . A 48 LEU C . 19876 1 537 . 1 1 59 59 LEU CA C 13 58.274 0.3 . 1 . . . A 48 LEU CA . 19876 1 538 . 1 1 59 59 LEU CB C 13 41.459 0.3 . 1 . . . A 48 LEU CB . 19876 1 539 . 1 1 59 59 LEU CG C 13 26.554 0.3 . 1 . . . A 48 LEU CG . 19876 1 540 . 1 1 59 59 LEU CD1 C 13 24.704 0.3 . 1 . . . A 48 LEU CD1 . 19876 1 541 . 1 1 59 59 LEU CD2 C 13 24.863 0.3 . 1 . . . A 48 LEU CD2 . 19876 1 542 . 1 1 59 59 LEU N N 15 122.808 0.3 . 1 . . . A 48 LEU N . 19876 1 543 . 1 1 60 60 ASN H H 1 7.797 0.020 . 1 . . . A 49 ASN H . 19876 1 544 . 1 1 60 60 ASN HA H 1 4.286 0.020 . 1 . . . A 49 ASN HA . 19876 1 545 . 1 1 60 60 ASN HB2 H 1 2.815 0.020 . 1 . . . A 49 ASN HB2 . 19876 1 546 . 1 1 60 60 ASN HB3 H 1 2.815 0.020 . 1 . . . A 49 ASN HB3 . 19876 1 547 . 1 1 60 60 ASN HD21 H 1 7.250 0.020 . 1 . . . A 49 ASN HD21 . 19876 1 548 . 1 1 60 60 ASN HD22 H 1 6.578 0.020 . 1 . . . A 49 ASN HD22 . 19876 1 549 . 1 1 60 60 ASN C C 13 176.893 0.3 . 1 . . . A 49 ASN C . 19876 1 550 . 1 1 60 60 ASN CA C 13 56.136 0.3 . 1 . . . A 49 ASN CA . 19876 1 551 . 1 1 60 60 ASN CB C 13 37.610 0.3 . 1 . . . A 49 ASN CB . 19876 1 552 . 1 1 60 60 ASN N N 15 117.784 0.3 . 1 . . . A 49 ASN N . 19876 1 553 . 1 1 60 60 ASN ND2 N 15 108.257 0.3 . 1 . . . A 49 ASN ND2 . 19876 1 554 . 1 1 61 61 ASP H H 1 7.868 0.020 . 1 . . . A 50 ASP H . 19876 1 555 . 1 1 61 61 ASP HA H 1 4.304 0.020 . 1 . . . A 50 ASP HA . 19876 1 556 . 1 1 61 61 ASP HB2 H 1 2.716 0.020 . 2 . . . A 50 ASP HB2 . 19876 1 557 . 1 1 61 61 ASP HB3 H 1 2.553 0.020 . 2 . . . A 50 ASP HB3 . 19876 1 558 . 1 1 61 61 ASP C C 13 177.452 0.3 . 1 . . . A 50 ASP C . 19876 1 559 . 1 1 61 61 ASP CA C 13 57.387 0.3 . 1 . . . A 50 ASP CA . 19876 1 560 . 1 1 61 61 ASP CB C 13 40.590 0.3 . 1 . . . A 50 ASP CB . 19876 1 561 . 1 1 61 61 ASP N N 15 120.887 0.3 . 1 . . . A 50 ASP N . 19876 1 562 . 1 1 62 62 LEU H H 1 7.627 0.020 . 1 . . . A 51 LEU H . 19876 1 563 . 1 1 62 62 LEU HA H 1 4.158 0.020 . 1 . . . A 51 LEU HA . 19876 1 564 . 1 1 62 62 LEU HB2 H 1 1.886 0.020 . 1 . . . A 51 LEU HB2 . 19876 1 565 . 1 1 62 62 LEU HB3 H 1 1.886 0.020 . 1 . . . A 51 LEU HB3 . 19876 1 566 . 1 1 62 62 LEU HG H 1 1.506 0.020 . 1 . . . A 51 LEU HG . 19876 1 567 . 1 1 62 62 LEU HD11 H 1 0.785 0.020 . 1 . . . A 51 LEU HD11 . 19876 1 568 . 1 1 62 62 LEU HD12 H 1 0.785 0.020 . 1 . . . A 51 LEU HD12 . 19876 1 569 . 1 1 62 62 LEU HD13 H 1 0.785 0.020 . 1 . . . A 51 LEU HD13 . 19876 1 570 . 1 1 62 62 LEU HD21 H 1 0.673 0.020 . 1 . . . A 51 LEU HD21 . 19876 1 571 . 1 1 62 62 LEU HD22 H 1 0.673 0.020 . 1 . . . A 51 LEU HD22 . 19876 1 572 . 1 1 62 62 LEU HD23 H 1 0.673 0.020 . 1 . . . A 51 LEU HD23 . 19876 1 573 . 1 1 62 62 LEU C C 13 177.345 0.3 . 1 . . . A 51 LEU C . 19876 1 574 . 1 1 62 62 LEU CA C 13 57.964 0.3 . 1 . . . A 51 LEU CA . 19876 1 575 . 1 1 62 62 LEU CB C 13 41.001 0.3 . 1 . . . A 51 LEU CB . 19876 1 576 . 1 1 62 62 LEU CG C 13 26.821 0.3 . 1 . . . A 51 LEU CG . 19876 1 577 . 1 1 62 62 LEU CD1 C 13 22.563 0.3 . 1 . . . A 51 LEU CD1 . 19876 1 578 . 1 1 62 62 LEU CD2 C 13 25.107 0.3 . 1 . . . A 51 LEU CD2 . 19876 1 579 . 1 1 62 62 LEU N N 15 123.117 0.3 . 1 . . . A 51 LEU N . 19876 1 580 . 1 1 63 63 ILE H H 1 8.309 0.020 . 1 . . . A 52 ILE H . 19876 1 581 . 1 1 63 63 ILE HA H 1 3.367 0.020 . 1 . . . A 52 ILE HA . 19876 1 582 . 1 1 63 63 ILE HB H 1 1.983 0.020 . 1 . . . A 52 ILE HB . 19876 1 583 . 1 1 63 63 ILE HG12 H 1 1.892 0.020 . 1 . . . A 52 ILE HG12 . 19876 1 584 . 1 1 63 63 ILE HG13 H 1 1.892 0.020 . 1 . . . A 52 ILE HG13 . 19876 1 585 . 1 1 63 63 ILE HG21 H 1 0.814 0.020 . 1 . . . A 52 ILE HG21 . 19876 1 586 . 1 1 63 63 ILE HG22 H 1 0.814 0.020 . 1 . . . A 52 ILE HG22 . 19876 1 587 . 1 1 63 63 ILE HG23 H 1 0.814 0.020 . 1 . . . A 52 ILE HG23 . 19876 1 588 . 1 1 63 63 ILE HD11 H 1 0.780 0.020 . 1 . . . A 52 ILE HD11 . 19876 1 589 . 1 1 63 63 ILE HD12 H 1 0.780 0.020 . 1 . . . A 52 ILE HD12 . 19876 1 590 . 1 1 63 63 ILE HD13 H 1 0.780 0.020 . 1 . . . A 52 ILE HD13 . 19876 1 591 . 1 1 63 63 ILE C C 13 176.246 0.3 . 1 . . . A 52 ILE C . 19876 1 592 . 1 1 63 63 ILE CA C 13 67.020 0.3 . 1 . . . A 52 ILE CA . 19876 1 593 . 1 1 63 63 ILE CB C 13 38.182 0.3 . 1 . . . A 52 ILE CB . 19876 1 594 . 1 1 63 63 ILE CG2 C 13 17.531 0.3 . 1 . . . A 52 ILE CG2 . 19876 1 595 . 1 1 63 63 ILE CD1 C 13 13.698 0.3 . 1 . . . A 52 ILE CD1 . 19876 1 596 . 1 1 63 63 ILE N N 15 120.007 0.3 . 1 . . . A 52 ILE N . 19876 1 597 . 1 1 64 64 GLU H H 1 7.965 0.020 . 1 . . . A 53 GLU H . 19876 1 598 . 1 1 64 64 GLU HA H 1 3.931 0.020 . 1 . . . A 53 GLU HA . 19876 1 599 . 1 1 64 64 GLU HB2 H 1 2.010 0.020 . 1 . . . A 53 GLU HB2 . 19876 1 600 . 1 1 64 64 GLU HB3 H 1 2.010 0.020 . 1 . . . A 53 GLU HB3 . 19876 1 601 . 1 1 64 64 GLU HG2 H 1 2.353 0.020 . 2 . . . A 53 GLU HG2 . 19876 1 602 . 1 1 64 64 GLU HG3 H 1 2.141 0.020 . 2 . . . A 53 GLU HG3 . 19876 1 603 . 1 1 64 64 GLU C C 13 178.193 0.3 . 1 . . . A 53 GLU C . 19876 1 604 . 1 1 64 64 GLU CA C 13 59.453 0.3 . 1 . . . A 53 GLU CA . 19876 1 605 . 1 1 64 64 GLU CB C 13 29.348 0.3 . 1 . . . A 53 GLU CB . 19876 1 606 . 1 1 64 64 GLU CG C 13 36.534 0.3 . 1 . . . A 53 GLU CG . 19876 1 607 . 1 1 64 64 GLU N N 15 117.619 0.3 . 1 . . . A 53 GLU N . 19876 1 608 . 1 1 65 65 HIS H H 1 8.117 0.020 . 1 . . . A 54 HIS H . 19876 1 609 . 1 1 65 65 HIS HA H 1 4.312 0.020 . 1 . . . A 54 HIS HA . 19876 1 610 . 1 1 65 65 HIS HB2 H 1 3.360 0.020 . 2 . . . A 54 HIS HB2 . 19876 1 611 . 1 1 65 65 HIS HB3 H 1 3.156 0.020 . 2 . . . A 54 HIS HB3 . 19876 1 612 . 1 1 65 65 HIS HD2 H 1 6.741 0.020 . 1 . . . A 54 HIS HD2 . 19876 1 613 . 1 1 65 65 HIS HE1 H 1 7.858 0.020 . 1 . . . A 54 HIS HE1 . 19876 1 614 . 1 1 65 65 HIS C C 13 177.331 0.3 . 1 . . . A 54 HIS C . 19876 1 615 . 1 1 65 65 HIS CA C 13 59.562 0.3 . 1 . . . A 54 HIS CA . 19876 1 616 . 1 1 65 65 HIS CB C 13 30.197 0.3 . 1 . . . A 54 HIS CB . 19876 1 617 . 1 1 65 65 HIS CD2 C 13 119.895 0.3 . 1 . . . A 54 HIS CD2 . 19876 1 618 . 1 1 65 65 HIS CE1 C 13 137.468 0.3 . 1 . . . A 54 HIS CE1 . 19876 1 619 . 1 1 65 65 HIS N N 15 120.335 0.3 . 1 . . . A 54 HIS N . 19876 1 620 . 1 1 66 66 ILE H H 1 8.655 0.020 . 1 . . . A 55 ILE H . 19876 1 621 . 1 1 66 66 ILE HA H 1 3.439 0.020 . 1 . . . A 55 ILE HA . 19876 1 622 . 1 1 66 66 ILE HB H 1 1.861 0.020 . 1 . . . A 55 ILE HB . 19876 1 623 . 1 1 66 66 ILE HG12 H 1 2.180 0.020 . 1 . . . A 55 ILE HG12 . 19876 1 624 . 1 1 66 66 ILE HG13 H 1 2.180 0.020 . 1 . . . A 55 ILE HG13 . 19876 1 625 . 1 1 66 66 ILE HG21 H 1 0.788 0.020 . 1 . . . A 55 ILE HG21 . 19876 1 626 . 1 1 66 66 ILE HG22 H 1 0.788 0.020 . 1 . . . A 55 ILE HG22 . 19876 1 627 . 1 1 66 66 ILE HG23 H 1 0.788 0.020 . 1 . . . A 55 ILE HG23 . 19876 1 628 . 1 1 66 66 ILE HD11 H 1 0.740 0.020 . 1 . . . A 55 ILE HD11 . 19876 1 629 . 1 1 66 66 ILE HD12 H 1 0.740 0.020 . 1 . . . A 55 ILE HD12 . 19876 1 630 . 1 1 66 66 ILE HD13 H 1 0.740 0.020 . 1 . . . A 55 ILE HD13 . 19876 1 631 . 1 1 66 66 ILE C C 13 176.281 0.3 . 1 . . . A 55 ILE C . 19876 1 632 . 1 1 66 66 ILE CA C 13 65.951 0.3 . 1 . . . A 55 ILE CA . 19876 1 633 . 1 1 66 66 ILE CB C 13 37.029 0.3 . 1 . . . A 55 ILE CB . 19876 1 634 . 1 1 66 66 ILE CG2 C 13 18.756 0.3 . 1 . . . A 55 ILE CG2 . 19876 1 635 . 1 1 66 66 ILE CD1 C 13 15.617 0.3 . 1 . . . A 55 ILE CD1 . 19876 1 636 . 1 1 66 66 ILE N N 15 120.694 0.3 . 1 . . . A 55 ILE N . 19876 1 637 . 1 1 67 67 ALA H H 1 9.063 0.020 . 1 . . . A 56 ALA H . 19876 1 638 . 1 1 67 67 ALA HA H 1 3.761 0.020 . 1 . . . A 56 ALA HA . 19876 1 639 . 1 1 67 67 ALA HB1 H 1 1.399 0.020 . 1 . . . A 56 ALA HB1 . 19876 1 640 . 1 1 67 67 ALA HB2 H 1 1.399 0.020 . 1 . . . A 56 ALA HB2 . 19876 1 641 . 1 1 67 67 ALA HB3 H 1 1.399 0.020 . 1 . . . A 56 ALA HB3 . 19876 1 642 . 1 1 67 67 ALA C C 13 179.581 0.3 . 1 . . . A 56 ALA C . 19876 1 643 . 1 1 67 67 ALA CA C 13 55.612 0.3 . 1 . . . A 56 ALA CA . 19876 1 644 . 1 1 67 67 ALA CB C 13 17.649 0.3 . 1 . . . A 56 ALA CB . 19876 1 645 . 1 1 67 67 ALA N N 15 123.896 0.3 . 1 . . . A 56 ALA N . 19876 1 646 . 1 1 68 68 SER H H 1 7.918 0.020 . 1 . . . A 57 SER H . 19876 1 647 . 1 1 68 68 SER HA H 1 4.165 0.020 . 1 . . . A 57 SER HA . 19876 1 648 . 1 1 68 68 SER HB2 H 1 3.924 0.020 . 1 . . . A 57 SER HB2 . 19876 1 649 . 1 1 68 68 SER HB3 H 1 3.924 0.020 . 1 . . . A 57 SER HB3 . 19876 1 650 . 1 1 68 68 SER C C 13 175.540 0.3 . 1 . . . A 57 SER C . 19876 1 651 . 1 1 68 68 SER CA C 13 61.491 0.3 . 1 . . . A 57 SER CA . 19876 1 652 . 1 1 68 68 SER CB C 13 62.640 0.3 . 1 . . . A 57 SER CB . 19876 1 653 . 1 1 68 68 SER N N 15 114.014 0.3 . 1 . . . A 57 SER N . 19876 1 654 . 1 1 69 69 PHE H H 1 8.024 0.020 . 1 . . . A 58 PHE H . 19876 1 655 . 1 1 69 69 PHE HA H 1 4.018 0.020 . 1 . . . A 58 PHE HA . 19876 1 656 . 1 1 69 69 PHE HB2 H 1 3.227 0.020 . 2 . . . A 58 PHE HB2 . 19876 1 657 . 1 1 69 69 PHE HB3 H 1 2.863 0.020 . 2 . . . A 58 PHE HB3 . 19876 1 658 . 1 1 69 69 PHE HD1 H 1 7.093 0.020 . 1 . . . A 58 PHE HD1 . 19876 1 659 . 1 1 69 69 PHE HD2 H 1 7.093 0.020 . 1 . . . A 58 PHE HD2 . 19876 1 660 . 1 1 69 69 PHE HE1 H 1 7.275 0.020 . 1 . . . A 58 PHE HE1 . 19876 1 661 . 1 1 69 69 PHE HE2 H 1 7.275 0.020 . 1 . . . A 58 PHE HE2 . 19876 1 662 . 1 1 69 69 PHE HZ H 1 7.514 0.020 . 1 . . . A 58 PHE HZ . 19876 1 663 . 1 1 69 69 PHE C C 13 177.343 0.3 . 1 . . . A 58 PHE C . 19876 1 664 . 1 1 69 69 PHE CA C 13 61.676 0.3 . 1 . . . A 58 PHE CA . 19876 1 665 . 1 1 69 69 PHE CB C 13 39.184 0.3 . 1 . . . A 58 PHE CB . 19876 1 666 . 1 1 69 69 PHE N N 15 125.013 0.3 . 1 . . . A 58 PHE N . 19876 1 667 . 1 1 70 70 VAL H H 1 9.263 0.020 . 1 . . . A 59 VAL H . 19876 1 668 . 1 1 70 70 VAL HA H 1 3.657 0.020 . 1 . . . A 59 VAL HA . 19876 1 669 . 1 1 70 70 VAL HB H 1 2.119 0.020 . 1 . . . A 59 VAL HB . 19876 1 670 . 1 1 70 70 VAL HG11 H 1 0.969 0.020 . 1 . . . A 59 VAL HG11 . 19876 1 671 . 1 1 70 70 VAL HG12 H 1 0.969 0.020 . 1 . . . A 59 VAL HG12 . 19876 1 672 . 1 1 70 70 VAL HG13 H 1 0.969 0.020 . 1 . . . A 59 VAL HG13 . 19876 1 673 . 1 1 70 70 VAL HG21 H 1 1.000 0.020 . 1 . . . A 59 VAL HG21 . 19876 1 674 . 1 1 70 70 VAL HG22 H 1 1.000 0.020 . 1 . . . A 59 VAL HG22 . 19876 1 675 . 1 1 70 70 VAL HG23 H 1 1.000 0.020 . 1 . . . A 59 VAL HG23 . 19876 1 676 . 1 1 70 70 VAL C C 13 175.403 0.3 . 1 . . . A 59 VAL C . 19876 1 677 . 1 1 70 70 VAL CA C 13 66.102 0.3 . 1 . . . A 59 VAL CA . 19876 1 678 . 1 1 70 70 VAL CB C 13 31.438 0.3 . 1 . . . A 59 VAL CB . 19876 1 679 . 1 1 70 70 VAL CG1 C 13 21.769 0.3 . 1 . . . A 59 VAL CG1 . 19876 1 680 . 1 1 70 70 VAL CG2 C 13 25.041 0.3 . 1 . . . A 59 VAL CG2 . 19876 1 681 . 1 1 70 70 VAL N N 15 120.373 0.3 . 1 . . . A 59 VAL N . 19876 1 682 . 1 1 71 71 MET H H 1 7.826 0.020 . 1 . . . A 60 MET H . 19876 1 683 . 1 1 71 71 MET HA H 1 4.002 0.020 . 1 . . . A 60 MET HA . 19876 1 684 . 1 1 71 71 MET HB2 H 1 2.159 0.020 . 2 . . . A 60 MET HB2 . 19876 1 685 . 1 1 71 71 MET HB3 H 1 2.096 0.020 . 2 . . . A 60 MET HB3 . 19876 1 686 . 1 1 71 71 MET HG2 H 1 2.598 0.020 . 2 . . . A 60 MET HG2 . 19876 1 687 . 1 1 71 71 MET HG3 H 1 2.500 0.020 . 2 . . . A 60 MET HG3 . 19876 1 688 . 1 1 71 71 MET HE1 H 1 1.967 0.020 . 1 . . . A 60 MET HE1 . 19876 1 689 . 1 1 71 71 MET HE2 H 1 1.967 0.020 . 1 . . . A 60 MET HE2 . 19876 1 690 . 1 1 71 71 MET HE3 H 1 1.967 0.020 . 1 . . . A 60 MET HE3 . 19876 1 691 . 1 1 71 71 MET C C 13 177.417 0.3 . 1 . . . A 60 MET C . 19876 1 692 . 1 1 71 71 MET CA C 13 59.396 0.3 . 1 . . . A 60 MET CA . 19876 1 693 . 1 1 71 71 MET CB C 13 31.986 0.3 . 1 . . . A 60 MET CB . 19876 1 694 . 1 1 71 71 MET CG C 13 32.035 0.3 . 1 . . . A 60 MET CG . 19876 1 695 . 1 1 71 71 MET CE C 13 16.993 0.3 . 1 . . . A 60 MET CE . 19876 1 696 . 1 1 71 71 MET N N 15 120.360 0.3 . 1 . . . A 60 MET N . 19876 1 697 . 1 1 72 72 SER H H 1 7.230 0.020 . 1 . . . A 61 SER H . 19876 1 698 . 1 1 72 72 SER HA H 1 4.035 0.020 . 1 . . . A 61 SER HA . 19876 1 699 . 1 1 72 72 SER HB2 H 1 3.719 0.020 . 2 . . . A 61 SER HB2 . 19876 1 700 . 1 1 72 72 SER HB3 H 1 3.646 0.020 . 2 . . . A 61 SER HB3 . 19876 1 701 . 1 1 72 72 SER CA C 13 61.619 0.3 . 1 . . . A 61 SER CA . 19876 1 702 . 1 1 72 72 SER CB C 13 62.600 0.3 . 1 . . . A 61 SER CB . 19876 1 703 . 1 1 72 72 SER N N 15 113.289 0.3 . 1 . . . A 61 SER N . 19876 1 704 . 1 1 73 73 PHE H H 1 8.681 0.020 . 1 . . . A 62 PHE H . 19876 1 705 . 1 1 73 73 PHE HA H 1 3.641 0.020 . 1 . . . A 62 PHE HA . 19876 1 706 . 1 1 73 73 PHE HB2 H 1 2.769 0.020 . 1 . . . A 62 PHE HB2 . 19876 1 707 . 1 1 73 73 PHE HB3 H 1 2.769 0.020 . 1 . . . A 62 PHE HB3 . 19876 1 708 . 1 1 73 73 PHE HD1 H 1 7.029 0.020 . 1 . . . A 62 PHE HD1 . 19876 1 709 . 1 1 73 73 PHE HD2 H 1 7.029 0.020 . 1 . . . A 62 PHE HD2 . 19876 1 710 . 1 1 73 73 PHE HE1 H 1 7.127 0.020 . 3 . . . A 62 PHE HE1 . 19876 1 711 . 1 1 73 73 PHE HE2 H 1 7.004 0.020 . 3 . . . A 62 PHE HE2 . 19876 1 712 . 1 1 73 73 PHE HZ H 1 7.088 0.020 . 1 . . . A 62 PHE HZ . 19876 1 713 . 1 1 73 73 PHE CA C 13 61.944 0.3 . 1 . . . A 62 PHE CA . 19876 1 714 . 1 1 73 73 PHE CB C 13 40.462 0.3 . 1 . . . A 62 PHE CB . 19876 1 715 . 1 1 73 73 PHE CD2 C 13 131.981 0.3 . 1 . . . A 62 PHE CD2 . 19876 1 716 . 1 1 73 73 PHE CE1 C 13 131.010 0.3 . 1 . . . A 62 PHE CE1 . 19876 1 717 . 1 1 73 73 PHE CE2 C 13 131.448 0.3 . 1 . . . A 62 PHE CE2 . 19876 1 718 . 1 1 73 73 PHE CZ C 13 129.582 0.3 . 1 . . . A 62 PHE CZ . 19876 1 719 . 1 1 73 73 PHE N N 15 126.395 0.3 . 1 . . . A 62 PHE N . 19876 1 720 . 1 1 74 74 LYS H H 1 8.585 0.020 . 1 . . . A 63 LYS H . 19876 1 721 . 1 1 74 74 LYS HA H 1 4.032 0.020 . 1 . . . A 63 LYS HA . 19876 1 722 . 1 1 74 74 LYS HB2 H 1 1.750 0.020 . 1 . . . A 63 LYS HB2 . 19876 1 723 . 1 1 74 74 LYS HB3 H 1 1.750 0.020 . 1 . . . A 63 LYS HB3 . 19876 1 724 . 1 1 74 74 LYS HG2 H 1 1.681 0.020 . 2 . . . A 63 LYS HG2 . 19876 1 725 . 1 1 74 74 LYS HG3 H 1 1.564 0.020 . 2 . . . A 63 LYS HG3 . 19876 1 726 . 1 1 74 74 LYS HD2 H 1 1.643 0.020 . 2 . . . A 63 LYS HD2 . 19876 1 727 . 1 1 74 74 LYS HD3 H 1 1.518 0.020 . 2 . . . A 63 LYS HD3 . 19876 1 728 . 1 1 74 74 LYS HE2 H 1 2.761 0.020 . 1 . . . A 63 LYS HE2 . 19876 1 729 . 1 1 74 74 LYS HE3 H 1 2.761 0.020 . 1 . . . A 63 LYS HE3 . 19876 1 730 . 1 1 74 74 LYS C C 13 177.262 0.3 . 1 . . . A 63 LYS C . 19876 1 731 . 1 1 74 74 LYS CA C 13 58.688 0.3 . 1 . . . A 63 LYS CA . 19876 1 732 . 1 1 74 74 LYS CB C 13 32.849 0.3 . 1 . . . A 63 LYS CB . 19876 1 733 . 1 1 74 74 LYS CG C 13 25.091 0.3 . 1 . . . A 63 LYS CG . 19876 1 734 . 1 1 74 74 LYS CD C 13 30.054 0.3 . 1 . . . A 63 LYS CD . 19876 1 735 . 1 1 74 74 LYS CE C 13 41.327 0.3 . 1 . . . A 63 LYS CE . 19876 1 736 . 1 1 74 74 LYS N N 15 116.676 0.3 . 1 . . . A 63 LYS N . 19876 1 737 . 1 1 75 75 ILE H H 1 6.751 0.020 . 1 . . . A 64 ILE H . 19876 1 738 . 1 1 75 75 ILE HA H 1 3.523 0.020 . 1 . . . A 64 ILE HA . 19876 1 739 . 1 1 75 75 ILE HB H 1 1.663 0.020 . 1 . . . A 64 ILE HB . 19876 1 740 . 1 1 75 75 ILE HG12 H 1 1.540 0.020 . 2 . . . A 64 ILE HG12 . 19876 1 741 . 1 1 75 75 ILE HG13 H 1 1.015 0.020 . 2 . . . A 64 ILE HG13 . 19876 1 742 . 1 1 75 75 ILE HG21 H 1 0.669 0.020 . 1 . . . A 64 ILE HG21 . 19876 1 743 . 1 1 75 75 ILE HG22 H 1 0.669 0.020 . 1 . . . A 64 ILE HG22 . 19876 1 744 . 1 1 75 75 ILE HG23 H 1 0.669 0.020 . 1 . . . A 64 ILE HG23 . 19876 1 745 . 1 1 75 75 ILE HD11 H 1 0.687 0.020 . 1 . . . A 64 ILE HD11 . 19876 1 746 . 1 1 75 75 ILE HD12 H 1 0.687 0.020 . 1 . . . A 64 ILE HD12 . 19876 1 747 . 1 1 75 75 ILE HD13 H 1 0.687 0.020 . 1 . . . A 64 ILE HD13 . 19876 1 748 . 1 1 75 75 ILE C C 13 176.151 0.3 . 1 . . . A 64 ILE C . 19876 1 749 . 1 1 75 75 ILE CA C 13 62.993 0.3 . 1 . . . A 64 ILE CA . 19876 1 750 . 1 1 75 75 ILE CB C 13 38.177 0.3 . 1 . . . A 64 ILE CB . 19876 1 751 . 1 1 75 75 ILE CG1 C 13 28.590 0.3 . 1 . . . A 64 ILE CG1 . 19876 1 752 . 1 1 75 75 ILE CG2 C 13 16.987 0.3 . 1 . . . A 64 ILE CG2 . 19876 1 753 . 1 1 75 75 ILE CD1 C 13 12.663 0.3 . 1 . . . A 64 ILE CD1 . 19876 1 754 . 1 1 75 75 ILE N N 15 117.020 0.3 . 1 . . . A 64 ILE N . 19876 1 755 . 1 1 76 76 LYS H H 1 7.058 0.020 . 1 . . . A 65 LYS H . 19876 1 756 . 1 1 76 76 LYS HA H 1 3.439 0.020 . 1 . . . A 65 LYS HA . 19876 1 757 . 1 1 76 76 LYS HB2 H 1 0.938 0.020 . 2 . . . A 65 LYS HB2 . 19876 1 758 . 1 1 76 76 LYS HB3 H 1 0.655 0.020 . 2 . . . A 65 LYS HB3 . 19876 1 759 . 1 1 76 76 LYS HG2 H 1 0.883 0.020 . 1 . . . A 65 LYS HG2 . 19876 1 760 . 1 1 76 76 LYS HG3 H 1 0.883 0.020 . 1 . . . A 65 LYS HG3 . 19876 1 761 . 1 1 76 76 LYS HD2 H 1 1.141 0.020 . 1 . . . A 65 LYS HD2 . 19876 1 762 . 1 1 76 76 LYS HD3 H 1 1.141 0.020 . 1 . . . A 65 LYS HD3 . 19876 1 763 . 1 1 76 76 LYS HE2 H 1 2.536 0.020 . 1 . . . A 65 LYS HE2 . 19876 1 764 . 1 1 76 76 LYS HE3 H 1 2.536 0.020 . 1 . . . A 65 LYS HE3 . 19876 1 765 . 1 1 76 76 LYS C C 13 175.133 0.3 . 1 . . . A 65 LYS C . 19876 1 766 . 1 1 76 76 LYS CA C 13 58.955 0.3 . 1 . . . A 65 LYS CA . 19876 1 767 . 1 1 76 76 LYS CB C 13 32.957 0.3 . 1 . . . A 65 LYS CB . 19876 1 768 . 1 1 76 76 LYS N N 15 120.165 0.3 . 1 . . . A 65 LYS N . 19876 1 769 . 1 1 77 77 TYR H H 1 7.784 0.020 . 1 . . . A 66 TYR H . 19876 1 770 . 1 1 77 77 TYR HA H 1 4.888 0.020 . 1 . . . A 66 TYR HA . 19876 1 771 . 1 1 77 77 TYR HB2 H 1 2.945 0.020 . 1 . . . A 66 TYR HB2 . 19876 1 772 . 1 1 77 77 TYR HB3 H 1 2.945 0.020 . 1 . . . A 66 TYR HB3 . 19876 1 773 . 1 1 77 77 TYR HD1 H 1 7.051 0.020 . 1 . . . A 66 TYR HD1 . 19876 1 774 . 1 1 77 77 TYR HD2 H 1 7.051 0.020 . 1 . . . A 66 TYR HD2 . 19876 1 775 . 1 1 77 77 TYR HE1 H 1 6.748 0.020 . 1 . . . A 66 TYR HE1 . 19876 1 776 . 1 1 77 77 TYR HE2 H 1 6.748 0.020 . 1 . . . A 66 TYR HE2 . 19876 1 777 . 1 1 77 77 TYR C C 13 173.061 0.3 . 1 . . . A 66 TYR C . 19876 1 778 . 1 1 77 77 TYR CA C 13 54.529 0.3 . 1 . . . A 66 TYR CA . 19876 1 779 . 1 1 77 77 TYR CB C 13 36.669 0.3 . 1 . . . A 66 TYR CB . 19876 1 780 . 1 1 77 77 TYR N N 15 115.421 0.3 . 1 . . . A 66 TYR N . 19876 1 781 . 1 1 78 78 PRO HA H 1 4.357 0.020 . 1 . . . A 67 PRO HA . 19876 1 782 . 1 1 78 78 PRO HB2 H 1 2.185 0.020 . 2 . . . A 67 PRO HB2 . 19876 1 783 . 1 1 78 78 PRO HB3 H 1 1.877 0.020 . 2 . . . A 67 PRO HB3 . 19876 1 784 . 1 1 78 78 PRO HG2 H 1 1.840 0.020 . 2 . . . A 67 PRO HG2 . 19876 1 785 . 1 1 78 78 PRO HG3 H 1 1.728 0.020 . 2 . . . A 67 PRO HG3 . 19876 1 786 . 1 1 78 78 PRO HD2 H 1 3.453 0.020 . 2 . . . A 67 PRO HD2 . 19876 1 787 . 1 1 78 78 PRO HD3 H 1 3.157 0.020 . 2 . . . A 67 PRO HD3 . 19876 1 788 . 1 1 78 78 PRO CA C 13 64.510 0.3 . 1 . . . A 67 PRO CA . 19876 1 789 . 1 1 78 78 PRO CB C 13 31.905 0.3 . 1 . . . A 67 PRO CB . 19876 1 790 . 1 1 78 78 PRO CG C 13 64.510 0.3 . 1 . . . A 67 PRO CG . 19876 1 791 . 1 1 78 78 PRO CD C 13 50.215 0.3 . 1 . . . A 67 PRO CD . 19876 1 792 . 1 1 79 79 ASP H H 1 8.548 0.020 . 1 . . . A 68 ASP H . 19876 1 793 . 1 1 79 79 ASP HA H 1 4.727 0.020 . 1 . . . A 68 ASP HA . 19876 1 794 . 1 1 79 79 ASP HB2 H 1 2.756 0.020 . 2 . . . A 68 ASP HB2 . 19876 1 795 . 1 1 79 79 ASP HB3 H 1 2.501 0.020 . 2 . . . A 68 ASP HB3 . 19876 1 796 . 1 1 79 79 ASP C C 13 175.024 0.3 . 1 . . . A 68 ASP C . 19876 1 797 . 1 1 79 79 ASP CA C 13 54.743 0.3 . 1 . . . A 68 ASP CA . 19876 1 798 . 1 1 79 79 ASP CB C 13 40.494 0.3 . 1 . . . A 68 ASP CB . 19876 1 799 . 1 1 79 79 ASP N N 15 117.110 0.3 . 1 . . . A 68 ASP N . 19876 1 800 . 1 1 80 80 ASP H H 1 7.545 0.020 . 1 . . . A 69 ASP H . 19876 1 801 . 1 1 80 80 ASP HA H 1 4.991 0.020 . 1 . . . A 69 ASP HA . 19876 1 802 . 1 1 80 80 ASP HB2 H 1 3.076 0.020 . 2 . . . A 69 ASP HB2 . 19876 1 803 . 1 1 80 80 ASP HB3 H 1 2.485 0.020 . 2 . . . A 69 ASP HB3 . 19876 1 804 . 1 1 80 80 ASP C C 13 174.782 0.3 . 1 . . . A 69 ASP C . 19876 1 805 . 1 1 80 80 ASP CA C 13 54.315 0.3 . 1 . . . A 69 ASP CA . 19876 1 806 . 1 1 80 80 ASP CB C 13 40.163 0.3 . 1 . . . A 69 ASP CB . 19876 1 807 . 1 1 80 80 ASP N N 15 122.994 0.3 . 1 . . . A 69 ASP N . 19876 1 808 . 1 1 81 81 GLY H H 1 7.879 0.020 . 1 . . . A 70 GLY H . 19876 1 809 . 1 1 81 81 GLY HA2 H 1 3.837 0.020 . 1 . . . A 70 GLY HA2 . 19876 1 810 . 1 1 81 81 GLY HA3 H 1 3.837 0.020 . 1 . . . A 70 GLY HA3 . 19876 1 811 . 1 1 81 81 GLY C C 13 173.987 0.3 . 1 . . . A 70 GLY C . 19876 1 812 . 1 1 81 81 GLY CA C 13 47.332 0.3 . 1 . . . A 70 GLY CA . 19876 1 813 . 1 1 81 81 GLY N N 15 107.712 0.3 . 1 . . . A 70 GLY N . 19876 1 814 . 1 1 82 82 ASP H H 1 8.447 0.020 . 1 . . . A 71 ASP H . 19876 1 815 . 1 1 82 82 ASP HA H 1 4.195 0.020 . 1 . . . A 71 ASP HA . 19876 1 816 . 1 1 82 82 ASP HB2 H 1 2.469 0.020 . 1 . . . A 71 ASP HB2 . 19876 1 817 . 1 1 82 82 ASP HB3 H 1 2.469 0.020 . 1 . . . A 71 ASP HB3 . 19876 1 818 . 1 1 82 82 ASP C C 13 177.114 0.3 . 1 . . . A 71 ASP C . 19876 1 819 . 1 1 82 82 ASP CA C 13 57.052 0.3 . 1 . . . A 71 ASP CA . 19876 1 820 . 1 1 82 82 ASP CB C 13 39.345 0.3 . 1 . . . A 71 ASP CB . 19876 1 821 . 1 1 82 82 ASP N N 15 119.785 0.3 . 1 . . . A 71 ASP N . 19876 1 822 . 1 1 83 83 LEU H H 1 7.562 0.020 . 1 . . . A 72 LEU H . 19876 1 823 . 1 1 83 83 LEU HA H 1 3.867 0.020 . 1 . . . A 72 LEU HA . 19876 1 824 . 1 1 83 83 LEU HB2 H 1 1.782 0.020 . 2 . . . A 72 LEU HB2 . 19876 1 825 . 1 1 83 83 LEU HB3 H 1 1.299 0.020 . 2 . . . A 72 LEU HB3 . 19876 1 826 . 1 1 83 83 LEU HG H 1 0.954 0.020 . 1 . . . A 72 LEU HG . 19876 1 827 . 1 1 83 83 LEU HD11 H 1 0.179 0.020 . 1 . . . A 72 LEU HD11 . 19876 1 828 . 1 1 83 83 LEU HD12 H 1 0.179 0.020 . 1 . . . A 72 LEU HD12 . 19876 1 829 . 1 1 83 83 LEU HD13 H 1 0.179 0.020 . 1 . . . A 72 LEU HD13 . 19876 1 830 . 1 1 83 83 LEU HD21 H 1 0.432 0.020 . 1 . . . A 72 LEU HD21 . 19876 1 831 . 1 1 83 83 LEU HD22 H 1 0.432 0.020 . 1 . . . A 72 LEU HD22 . 19876 1 832 . 1 1 83 83 LEU HD23 H 1 0.432 0.020 . 1 . . . A 72 LEU HD23 . 19876 1 833 . 1 1 83 83 LEU C C 13 176.531 0.3 . 1 . . . A 72 LEU C . 19876 1 834 . 1 1 83 83 LEU CA C 13 57.452 0.3 . 1 . . . A 72 LEU CA . 19876 1 835 . 1 1 83 83 LEU CB C 13 41.735 0.3 . 1 . . . A 72 LEU CB . 19876 1 836 . 1 1 83 83 LEU CG C 13 27.101 0.3 . 1 . . . A 72 LEU CG . 19876 1 837 . 1 1 83 83 LEU CD1 C 13 23.005 0.3 . 1 . . . A 72 LEU CD1 . 19876 1 838 . 1 1 83 83 LEU CD2 C 13 25.609 0.3 . 1 . . . A 72 LEU CD2 . 19876 1 839 . 1 1 83 83 LEU N N 15 119.776 0.3 . 1 . . . A 72 LEU N . 19876 1 840 . 1 1 84 84 SER H H 1 8.050 0.020 . 1 . . . A 73 SER H . 19876 1 841 . 1 1 84 84 SER HA H 1 3.605 0.020 . 1 . . . A 73 SER HA . 19876 1 842 . 1 1 84 84 SER HB2 H 1 3.783 0.020 . 1 . . . A 73 SER HB2 . 19876 1 843 . 1 1 84 84 SER HB3 H 1 3.783 0.020 . 1 . . . A 73 SER HB3 . 19876 1 844 . 1 1 84 84 SER C C 13 174.610 0.3 . 1 . . . A 73 SER C . 19876 1 845 . 1 1 84 84 SER CA C 13 62.161 0.3 . 1 . . . A 73 SER CA . 19876 1 846 . 1 1 84 84 SER CB C 13 62.158 0.3 . 1 . . . A 73 SER CB . 19876 1 847 . 1 1 84 84 SER N N 15 113.964 0.3 . 1 . . . A 73 SER N . 19876 1 848 . 1 1 85 85 GLU H H 1 8.623 0.020 . 1 . . . A 74 GLU H . 19876 1 849 . 1 1 85 85 GLU HA H 1 4.071 0.020 . 1 . . . A 74 GLU HA . 19876 1 850 . 1 1 85 85 GLU HB2 H 1 1.994 0.020 . 2 . . . A 74 GLU HB2 . 19876 1 851 . 1 1 85 85 GLU HB3 H 1 1.908 0.020 . 2 . . . A 74 GLU HB3 . 19876 1 852 . 1 1 85 85 GLU HG2 H 1 2.306 0.020 . 2 . . . A 74 GLU HG2 . 19876 1 853 . 1 1 85 85 GLU HG3 H 1 2.187 0.020 . 2 . . . A 74 GLU HG3 . 19876 1 854 . 1 1 85 85 GLU C C 13 178.089 0.3 . 1 . . . A 74 GLU C . 19876 1 855 . 1 1 85 85 GLU CA C 13 59.102 0.3 . 1 . . . A 74 GLU CA . 19876 1 856 . 1 1 85 85 GLU CB C 13 29.213 0.3 . 1 . . . A 74 GLU CB . 19876 1 857 . 1 1 85 85 GLU CG C 13 36.818 0.3 . 1 . . . A 74 GLU CG . 19876 1 858 . 1 1 85 85 GLU N N 15 119.742 0.3 . 1 . . . A 74 GLU N . 19876 1 859 . 1 1 86 86 LEU H H 1 7.255 0.020 . 1 . . . A 75 LEU H . 19876 1 860 . 1 1 86 86 LEU HA H 1 4.243 0.020 . 1 . . . A 75 LEU HA . 19876 1 861 . 1 1 86 86 LEU HB2 H 1 1.620 0.020 . 2 . . . A 75 LEU HB2 . 19876 1 862 . 1 1 86 86 LEU HB3 H 1 1.549 0.020 . 2 . . . A 75 LEU HB3 . 19876 1 863 . 1 1 86 86 LEU HG H 1 1.501 0.020 . 1 . . . A 75 LEU HG . 19876 1 864 . 1 1 86 86 LEU HD11 H 1 0.795 0.020 . 1 . . . A 75 LEU HD11 . 19876 1 865 . 1 1 86 86 LEU HD12 H 1 0.795 0.020 . 1 . . . A 75 LEU HD12 . 19876 1 866 . 1 1 86 86 LEU HD13 H 1 0.795 0.020 . 1 . . . A 75 LEU HD13 . 19876 1 867 . 1 1 86 86 LEU HD21 H 1 0.676 0.020 . 1 . . . A 75 LEU HD21 . 19876 1 868 . 1 1 86 86 LEU HD22 H 1 0.676 0.020 . 1 . . . A 75 LEU HD22 . 19876 1 869 . 1 1 86 86 LEU HD23 H 1 0.676 0.020 . 1 . . . A 75 LEU HD23 . 19876 1 870 . 1 1 86 86 LEU C C 13 177.962 0.3 . 1 . . . A 75 LEU C . 19876 1 871 . 1 1 86 86 LEU CA C 13 57.380 0.3 . 1 . . . A 75 LEU CA . 19876 1 872 . 1 1 86 86 LEU CB C 13 41.404 0.3 . 1 . . . A 75 LEU CB . 19876 1 873 . 1 1 86 86 LEU CG C 13 28.376 0.3 . 1 . . . A 75 LEU CG . 19876 1 874 . 1 1 86 86 LEU CD1 C 13 24.389 0.3 . 1 . . . A 75 LEU CD1 . 19876 1 875 . 1 1 86 86 LEU CD2 C 13 25.595 0.3 . 1 . . . A 75 LEU CD2 . 19876 1 876 . 1 1 86 86 LEU N N 15 122.325 0.3 . 1 . . . A 75 LEU N . 19876 1 877 . 1 1 87 87 VAL H H 1 8.235 0.020 . 1 . . . A 76 VAL H . 19876 1 878 . 1 1 87 87 VAL HA H 1 3.587 0.020 . 1 . . . A 76 VAL HA . 19876 1 879 . 1 1 87 87 VAL HB H 1 2.126 0.020 . 1 . . . A 76 VAL HB . 19876 1 880 . 1 1 87 87 VAL HG11 H 1 0.828 0.020 . 1 . . . A 76 VAL HG11 . 19876 1 881 . 1 1 87 87 VAL HG12 H 1 0.828 0.020 . 1 . . . A 76 VAL HG12 . 19876 1 882 . 1 1 87 87 VAL HG13 H 1 0.828 0.020 . 1 . . . A 76 VAL HG13 . 19876 1 883 . 1 1 87 87 VAL HG21 H 1 0.863 0.020 . 1 . . . A 76 VAL HG21 . 19876 1 884 . 1 1 87 87 VAL HG22 H 1 0.863 0.020 . 1 . . . A 76 VAL HG22 . 19876 1 885 . 1 1 87 87 VAL HG23 H 1 0.863 0.020 . 1 . . . A 76 VAL HG23 . 19876 1 886 . 1 1 87 87 VAL C C 13 176.909 0.3 . 1 . . . A 76 VAL C . 19876 1 887 . 1 1 87 87 VAL CA C 13 67.260 0.3 . 1 . . . A 76 VAL CA . 19876 1 888 . 1 1 87 87 VAL CB C 13 30.943 0.3 . 1 . . . A 76 VAL CB . 19876 1 889 . 1 1 87 87 VAL CG1 C 13 23.192 0.3 . 1 . . . A 76 VAL CG1 . 19876 1 890 . 1 1 87 87 VAL CG2 C 13 23.715 0.3 . 1 . . . A 76 VAL CG2 . 19876 1 891 . 1 1 87 87 VAL N N 15 119.514 0.3 . 1 . . . A 76 VAL N . 19876 1 892 . 1 1 88 88 GLU H H 1 8.204 0.020 . 1 . . . A 77 GLU H . 19876 1 893 . 1 1 88 88 GLU HA H 1 3.739 0.020 . 1 . . . A 77 GLU HA . 19876 1 894 . 1 1 88 88 GLU HB2 H 1 2.158 0.020 . 2 . . . A 77 GLU HB2 . 19876 1 895 . 1 1 88 88 GLU HB3 H 1 1.927 0.020 . 2 . . . A 77 GLU HB3 . 19876 1 896 . 1 1 88 88 GLU HG2 H 1 2.562 0.020 . 2 . . . A 77 GLU HG2 . 19876 1 897 . 1 1 88 88 GLU HG3 H 1 1.971 0.020 . 2 . . . A 77 GLU HG3 . 19876 1 898 . 1 1 88 88 GLU C C 13 177.692 0.3 . 1 . . . A 77 GLU C . 19876 1 899 . 1 1 88 88 GLU CA C 13 61.007 0.3 . 1 . . . A 77 GLU CA . 19876 1 900 . 1 1 88 88 GLU CB C 13 29.157 0.3 . 1 . . . A 77 GLU CB . 19876 1 901 . 1 1 88 88 GLU CG C 13 38.002 0.3 . 1 . . . A 77 GLU CG . 19876 1 902 . 1 1 88 88 GLU N N 15 118.692 0.3 . 1 . . . A 77 GLU N . 19876 1 903 . 1 1 89 89 GLU H H 1 8.058 0.020 . 1 . . . A 78 GLU H . 19876 1 904 . 1 1 89 89 GLU HA H 1 4.028 0.020 . 1 . . . A 78 GLU HA . 19876 1 905 . 1 1 89 89 GLU HB2 H 1 2.148 0.020 . 1 . . . A 78 GLU HB2 . 19876 1 906 . 1 1 89 89 GLU HB3 H 1 2.148 0.020 . 1 . . . A 78 GLU HB3 . 19876 1 907 . 1 1 89 89 GLU HG2 H 1 2.407 0.020 . 1 . . . A 78 GLU HG2 . 19876 1 908 . 1 1 89 89 GLU HG3 H 1 2.407 0.020 . 1 . . . A 78 GLU HG3 . 19876 1 909 . 1 1 89 89 GLU C C 13 176.559 0.3 . 1 . . . A 78 GLU C . 19876 1 910 . 1 1 89 89 GLU CA C 13 59.574 0.3 . 1 . . . A 78 GLU CA . 19876 1 911 . 1 1 89 89 GLU CB C 13 29.885 0.3 . 1 . . . A 78 GLU CB . 19876 1 912 . 1 1 89 89 GLU CG C 13 35.893 0.3 . 1 . . . A 78 GLU CG . 19876 1 913 . 1 1 89 89 GLU N N 15 121.945 0.3 . 1 . . . A 78 GLU N . 19876 1 914 . 1 1 90 90 TYR H H 1 8.347 0.020 . 1 . . . A 79 TYR H . 19876 1 915 . 1 1 90 90 TYR HA H 1 4.400 0.020 . 1 . . . A 79 TYR HA . 19876 1 916 . 1 1 90 90 TYR HB2 H 1 2.900 0.020 . 1 . . . A 79 TYR HB2 . 19876 1 917 . 1 1 90 90 TYR HB3 H 1 2.900 0.020 . 1 . . . A 79 TYR HB3 . 19876 1 918 . 1 1 90 90 TYR HD1 H 1 6.909 0.020 . 3 . . . A 79 TYR HD1 . 19876 1 919 . 1 1 90 90 TYR HD2 H 1 6.755 0.020 . 3 . . . A 79 TYR HD2 . 19876 1 920 . 1 1 90 90 TYR HE1 H 1 6.455 0.020 . 1 . . . A 79 TYR HE1 . 19876 1 921 . 1 1 90 90 TYR HE2 H 1 6.455 0.020 . 1 . . . A 79 TYR HE2 . 19876 1 922 . 1 1 90 90 TYR C C 13 178.365 0.3 . 1 . . . A 79 TYR C . 19876 1 923 . 1 1 90 90 TYR CA C 13 60.101 0.3 . 1 . . . A 79 TYR CA . 19876 1 924 . 1 1 90 90 TYR CB C 13 38.638 0.3 . 1 . . . A 79 TYR CB . 19876 1 925 . 1 1 90 90 TYR CD1 C 13 132.205 0.3 . 1 . . . A 79 TYR CD1 . 19876 1 926 . 1 1 90 90 TYR CE1 C 13 117.404 0.3 . 1 . . . A 79 TYR CE1 . 19876 1 927 . 1 1 90 90 TYR N N 15 119.945 0.3 . 1 . . . A 79 TYR N . 19876 1 928 . 1 1 91 91 LEU H H 1 9.113 0.020 . 1 . . . A 80 LEU H . 19876 1 929 . 1 1 91 91 LEU HA H 1 3.649 0.020 . 1 . . . A 80 LEU HA . 19876 1 930 . 1 1 91 91 LEU HB2 H 1 2.034 0.020 . 2 . . . A 80 LEU HB2 . 19876 1 931 . 1 1 91 91 LEU HB3 H 1 1.353 0.020 . 2 . . . A 80 LEU HB3 . 19876 1 932 . 1 1 91 91 LEU HG H 1 2.074 0.020 . 1 . . . A 80 LEU HG . 19876 1 933 . 1 1 91 91 LEU HD11 H 1 0.790 0.020 . 1 . . . A 80 LEU HD11 . 19876 1 934 . 1 1 91 91 LEU HD12 H 1 0.790 0.020 . 1 . . . A 80 LEU HD12 . 19876 1 935 . 1 1 91 91 LEU HD13 H 1 0.790 0.020 . 1 . . . A 80 LEU HD13 . 19876 1 936 . 1 1 91 91 LEU HD21 H 1 0.720 0.020 . 1 . . . A 80 LEU HD21 . 19876 1 937 . 1 1 91 91 LEU HD22 H 1 0.720 0.020 . 1 . . . A 80 LEU HD22 . 19876 1 938 . 1 1 91 91 LEU HD23 H 1 0.720 0.020 . 1 . . . A 80 LEU HD23 . 19876 1 939 . 1 1 91 91 LEU C C 13 177.594 0.3 . 1 . . . A 80 LEU C . 19876 1 940 . 1 1 91 91 LEU CA C 13 58.679 0.3 . 1 . . . A 80 LEU CA . 19876 1 941 . 1 1 91 91 LEU CB C 13 40.642 0.3 . 1 . . . A 80 LEU CB . 19876 1 942 . 1 1 91 91 LEU CG C 13 29.585 0.3 . 1 . . . A 80 LEU CG . 19876 1 943 . 1 1 91 91 LEU CD1 C 13 24.776 0.3 . 1 . . . A 80 LEU CD1 . 19876 1 944 . 1 1 91 91 LEU CD2 C 13 21.942 0.3 . 1 . . . A 80 LEU CD2 . 19876 1 945 . 1 1 91 91 LEU N N 15 123.586 0.3 . 1 . . . A 80 LEU N . 19876 1 946 . 1 1 92 92 ASP H H 1 8.228 0.020 . 1 . . . A 81 ASP H . 19876 1 947 . 1 1 92 92 ASP HA H 1 4.406 0.020 . 1 . . . A 81 ASP HA . 19876 1 948 . 1 1 92 92 ASP HB2 H 1 2.955 0.020 . 2 . . . A 81 ASP HB2 . 19876 1 949 . 1 1 92 92 ASP HB3 H 1 2.732 0.020 . 2 . . . A 81 ASP HB3 . 19876 1 950 . 1 1 92 92 ASP C C 13 178.021 0.3 . 1 . . . A 81 ASP C . 19876 1 951 . 1 1 92 92 ASP CA C 13 57.689 0.3 . 1 . . . A 81 ASP CA . 19876 1 952 . 1 1 92 92 ASP CB C 13 40.642 0.3 . 1 . . . A 81 ASP CB . 19876 1 953 . 1 1 92 92 ASP N N 15 121.522 0.3 . 1 . . . A 81 ASP N . 19876 1 954 . 1 1 93 93 ASP H H 1 9.139 0.020 . 1 . . . A 82 ASP H . 19876 1 955 . 1 1 93 93 ASP HA H 1 4.422 0.020 . 1 . . . A 82 ASP HA . 19876 1 956 . 1 1 93 93 ASP HB2 H 1 2.758 0.020 . 1 . . . A 82 ASP HB2 . 19876 1 957 . 1 1 93 93 ASP HB3 H 1 2.758 0.020 . 1 . . . A 82 ASP HB3 . 19876 1 958 . 1 1 93 93 ASP C C 13 178.342 0.3 . 1 . . . A 82 ASP C . 19876 1 959 . 1 1 93 93 ASP CA C 13 57.907 0.3 . 1 . . . A 82 ASP CA . 19876 1 960 . 1 1 93 93 ASP CB C 13 40.833 0.3 . 1 . . . A 82 ASP CB . 19876 1 961 . 1 1 93 93 ASP N N 15 120.931 0.3 . 1 . . . A 82 ASP N . 19876 1 962 . 1 1 94 94 THR H H 1 8.394 0.020 . 1 . . . A 83 THR H . 19876 1 963 . 1 1 94 94 THR HA H 1 3.415 0.020 . 1 . . . A 83 THR HA . 19876 1 964 . 1 1 94 94 THR HB H 1 4.205 0.020 . 1 . . . A 83 THR HB . 19876 1 965 . 1 1 94 94 THR HG21 H 1 1.090 0.020 . 1 . . . A 83 THR HG21 . 19876 1 966 . 1 1 94 94 THR HG22 H 1 1.090 0.020 . 1 . . . A 83 THR HG22 . 19876 1 967 . 1 1 94 94 THR HG23 H 1 1.090 0.020 . 1 . . . A 83 THR HG23 . 19876 1 968 . 1 1 94 94 THR C C 13 173.663 0.3 . 1 . . . A 83 THR C . 19876 1 969 . 1 1 94 94 THR CA C 13 67.258 0.3 . 1 . . . A 83 THR CA . 19876 1 970 . 1 1 94 94 THR CB C 13 68.017 0.3 . 1 . . . A 83 THR CB . 19876 1 971 . 1 1 94 94 THR CG2 C 13 21.625 0.3 . 1 . . . A 83 THR CG2 . 19876 1 972 . 1 1 94 94 THR N N 15 118.686 0.3 . 1 . . . A 83 THR N . 19876 1 973 . 1 1 95 95 TYR H H 1 8.561 0.020 . 1 . . . A 84 TYR H . 19876 1 974 . 1 1 95 95 TYR HA H 1 3.743 0.020 . 1 . . . A 84 TYR HA . 19876 1 975 . 1 1 95 95 TYR HB2 H 1 3.092 0.020 . 2 . . . A 84 TYR HB2 . 19876 1 976 . 1 1 95 95 TYR HB3 H 1 3.011 0.020 . 2 . . . A 84 TYR HB3 . 19876 1 977 . 1 1 95 95 TYR HD1 H 1 6.902 0.020 . 1 . . . A 84 TYR HD1 . 19876 1 978 . 1 1 95 95 TYR HD2 H 1 6.902 0.020 . 1 . . . A 84 TYR HD2 . 19876 1 979 . 1 1 95 95 TYR HE1 H 1 6.659 0.020 . 1 . . . A 84 TYR HE1 . 19876 1 980 . 1 1 95 95 TYR HE2 H 1 6.659 0.020 . 1 . . . A 84 TYR HE2 . 19876 1 981 . 1 1 95 95 TYR C C 13 177.983 0.3 . 1 . . . A 84 TYR C . 19876 1 982 . 1 1 95 95 TYR CA C 13 62.107 0.3 . 1 . . . A 84 TYR CA . 19876 1 983 . 1 1 95 95 TYR CB C 13 38.451 0.3 . 1 . . . A 84 TYR CB . 19876 1 984 . 1 1 95 95 TYR CD2 C 13 132.799 0.3 . 1 . . . A 84 TYR CD2 . 19876 1 985 . 1 1 95 95 TYR CE2 C 13 118.131 0.3 . 1 . . . A 84 TYR CE2 . 19876 1 986 . 1 1 95 95 TYR N N 15 122.004 0.3 . 1 . . . A 84 TYR N . 19876 1 987 . 1 1 96 96 THR H H 1 8.749 0.020 . 1 . . . A 85 THR H . 19876 1 988 . 1 1 96 96 THR HA H 1 3.409 0.020 . 1 . . . A 85 THR HA . 19876 1 989 . 1 1 96 96 THR HB H 1 4.040 0.020 . 1 . . . A 85 THR HB . 19876 1 990 . 1 1 96 96 THR HG21 H 1 1.072 0.020 . 1 . . . A 85 THR HG21 . 19876 1 991 . 1 1 96 96 THR HG22 H 1 1.072 0.020 . 1 . . . A 85 THR HG22 . 19876 1 992 . 1 1 96 96 THR HG23 H 1 1.072 0.020 . 1 . . . A 85 THR HG23 . 19876 1 993 . 1 1 96 96 THR C C 13 174.628 0.3 . 1 . . . A 85 THR C . 19876 1 994 . 1 1 96 96 THR CA C 13 66.483 0.3 . 1 . . . A 85 THR CA . 19876 1 995 . 1 1 96 96 THR CB C 13 68.604 0.3 . 1 . . . A 85 THR CB . 19876 1 996 . 1 1 96 96 THR CG2 C 13 21.906 0.3 . 1 . . . A 85 THR CG2 . 19876 1 997 . 1 1 96 96 THR N N 15 116.249 0.3 . 1 . . . A 85 THR N . 19876 1 998 . 1 1 97 97 LEU H H 1 7.257 0.020 . 1 . . . A 86 LEU H . 19876 1 999 . 1 1 97 97 LEU HA H 1 3.555 0.020 . 1 . . . A 86 LEU HA . 19876 1 1000 . 1 1 97 97 LEU HB2 H 1 1.144 0.020 . 2 . . . A 86 LEU HB2 . 19876 1 1001 . 1 1 97 97 LEU HB3 H 1 0.824 0.020 . 2 . . . A 86 LEU HB3 . 19876 1 1002 . 1 1 97 97 LEU HG H 1 -0.255 0.020 . 1 . . . A 86 LEU HG . 19876 1 1003 . 1 1 97 97 LEU HD11 H 1 0.301 0.020 . 1 . . . A 86 LEU HD11 . 19876 1 1004 . 1 1 97 97 LEU HD12 H 1 0.301 0.020 . 1 . . . A 86 LEU HD12 . 19876 1 1005 . 1 1 97 97 LEU HD13 H 1 0.301 0.020 . 1 . . . A 86 LEU HD13 . 19876 1 1006 . 1 1 97 97 LEU HD21 H 1 -0.413 0.020 . 1 . . . A 86 LEU HD21 . 19876 1 1007 . 1 1 97 97 LEU HD22 H 1 -0.413 0.020 . 1 . . . A 86 LEU HD22 . 19876 1 1008 . 1 1 97 97 LEU HD23 H 1 -0.413 0.020 . 1 . . . A 86 LEU HD23 . 19876 1 1009 . 1 1 97 97 LEU C C 13 176.057 0.3 . 1 . . . A 86 LEU C . 19876 1 1010 . 1 1 97 97 LEU CA C 13 58.006 0.3 . 1 . . . A 86 LEU CA . 19876 1 1011 . 1 1 97 97 LEU CB C 13 41.773 0.3 . 1 . . . A 86 LEU CB . 19876 1 1012 . 1 1 97 97 LEU CG C 13 25.613 0.3 . 1 . . . A 86 LEU CG . 19876 1 1013 . 1 1 97 97 LEU CD1 C 13 23.823 0.3 . 1 . . . A 86 LEU CD1 . 19876 1 1014 . 1 1 97 97 LEU CD2 C 13 27.330 0.3 . 1 . . . A 86 LEU CD2 . 19876 1 1015 . 1 1 97 97 LEU N N 15 121.835 0.3 . 1 . . . A 86 LEU N . 19876 1 1016 . 1 1 98 98 PHE H H 1 7.168 0.020 . 1 . . . A 87 PHE H . 19876 1 1017 . 1 1 98 98 PHE HA H 1 3.977 0.020 . 1 . . . A 87 PHE HA . 19876 1 1018 . 1 1 98 98 PHE HB2 H 1 3.064 0.020 . 2 . . . A 87 PHE HB2 . 19876 1 1019 . 1 1 98 98 PHE HB3 H 1 2.363 0.020 . 2 . . . A 87 PHE HB3 . 19876 1 1020 . 1 1 98 98 PHE HD1 H 1 7.056 0.020 . 1 . . . A 87 PHE HD1 . 19876 1 1021 . 1 1 98 98 PHE HD2 H 1 7.056 0.020 . 1 . . . A 87 PHE HD2 . 19876 1 1022 . 1 1 98 98 PHE HE1 H 1 6.228 0.020 . 1 . . . A 87 PHE HE1 . 19876 1 1023 . 1 1 98 98 PHE HE2 H 1 6.228 0.020 . 1 . . . A 87 PHE HE2 . 19876 1 1024 . 1 1 98 98 PHE HZ H 1 6.258 0.020 . 1 . . . A 87 PHE HZ . 19876 1 1025 . 1 1 98 98 PHE C C 13 174.687 0.3 . 1 . . . A 87 PHE C . 19876 1 1026 . 1 1 98 98 PHE CA C 13 60.740 0.3 . 1 . . . A 87 PHE CA . 19876 1 1027 . 1 1 98 98 PHE CB C 13 38.431 0.3 . 1 . . . A 87 PHE CB . 19876 1 1028 . 1 1 98 98 PHE CD2 C 13 131.282 0.3 . 1 . . . A 87 PHE CD2 . 19876 1 1029 . 1 1 98 98 PHE CE2 C 13 130.068 0.3 . 1 . . . A 87 PHE CE2 . 19876 1 1030 . 1 1 98 98 PHE CZ C 13 128.708 0.3 . 1 . . . A 87 PHE CZ . 19876 1 1031 . 1 1 98 98 PHE N N 15 111.264 0.3 . 1 . . . A 87 PHE N . 19876 1 1032 . 1 1 99 99 SER H H 1 7.290 0.020 . 1 . . . A 88 SER H . 19876 1 1033 . 1 1 99 99 SER HA H 1 4.207 0.020 . 1 . . . A 88 SER HA . 19876 1 1034 . 1 1 99 99 SER HB2 H 1 3.649 0.020 . 2 . . . A 88 SER HB2 . 19876 1 1035 . 1 1 99 99 SER HB3 H 1 3.256 0.020 . 2 . . . A 88 SER HB3 . 19876 1 1036 . 1 1 99 99 SER C C 13 172.760 0.3 . 1 . . . A 88 SER C . 19876 1 1037 . 1 1 99 99 SER CA C 13 58.725 0.3 . 1 . . . A 88 SER CA . 19876 1 1038 . 1 1 99 99 SER CB C 13 63.342 0.3 . 1 . . . A 88 SER CB . 19876 1 1039 . 1 1 99 99 SER N N 15 112.848 0.3 . 1 . . . A 88 SER N . 19876 1 1040 . 1 1 100 100 SER H H 1 7.064 0.020 . 1 . . . A 89 SER H . 19876 1 1041 . 1 1 100 100 SER HA H 1 4.347 0.020 . 1 . . . A 89 SER HA . 19876 1 1042 . 1 1 100 100 SER HB2 H 1 3.696 0.020 . 1 . . . A 89 SER HB2 . 19876 1 1043 . 1 1 100 100 SER HB3 H 1 3.696 0.020 . 1 . . . A 89 SER HB3 . 19876 1 1044 . 1 1 100 100 SER C C 13 172.251 0.3 . 1 . . . A 89 SER C . 19876 1 1045 . 1 1 100 100 SER CA C 13 57.597 0.3 . 1 . . . A 89 SER CA . 19876 1 1046 . 1 1 100 100 SER CB C 13 64.426 0.3 . 1 . . . A 89 SER CB . 19876 1 1047 . 1 1 100 100 SER N N 15 116.554 0.3 . 1 . . . A 89 SER N . 19876 1 1048 . 1 1 101 101 TYR H H 1 8.446 0.020 . 1 . . . A 90 TYR H . 19876 1 1049 . 1 1 101 101 TYR HA H 1 4.343 0.020 . 1 . . . A 90 TYR HA . 19876 1 1050 . 1 1 101 101 TYR HB2 H 1 2.900 0.020 . 2 . . . A 90 TYR HB2 . 19876 1 1051 . 1 1 101 101 TYR HB3 H 1 2.736 0.020 . 2 . . . A 90 TYR HB3 . 19876 1 1052 . 1 1 101 101 TYR HD1 H 1 7.060 0.020 . 1 . . . A 90 TYR HD1 . 19876 1 1053 . 1 1 101 101 TYR HD2 H 1 7.060 0.020 . 1 . . . A 90 TYR HD2 . 19876 1 1054 . 1 1 101 101 TYR HE1 H 1 6.695 0.020 . 1 . . . A 90 TYR HE1 . 19876 1 1055 . 1 1 101 101 TYR HE2 H 1 6.695 0.020 . 1 . . . A 90 TYR HE2 . 19876 1 1056 . 1 1 101 101 TYR C C 13 175.043 0.3 . 1 . . . A 90 TYR C . 19876 1 1057 . 1 1 101 101 TYR CA C 13 58.972 0.3 . 1 . . . A 90 TYR CA . 19876 1 1058 . 1 1 101 101 TYR CB C 13 37.626 0.3 . 1 . . . A 90 TYR CB . 19876 1 1059 . 1 1 101 101 TYR CD2 C 13 133.034 0.3 . 1 . . . A 90 TYR CD2 . 19876 1 1060 . 1 1 101 101 TYR CE2 C 13 117.814 0.3 . 1 . . . A 90 TYR CE2 . 19876 1 1061 . 1 1 101 101 TYR N N 15 122.348 0.3 . 1 . . . A 90 TYR N . 19876 1 1062 . 1 1 102 102 GLY H H 1 7.820 0.020 . 1 . . . A 91 GLY H . 19876 1 1063 . 1 1 102 102 GLY HA2 H 1 3.873 0.020 . 2 . . . A 91 GLY HA2 . 19876 1 1064 . 1 1 102 102 GLY HA3 H 1 3.649 0.020 . 2 . . . A 91 GLY HA3 . 19876 1 1065 . 1 1 102 102 GLY C C 13 170.874 0.3 . 1 . . . A 91 GLY C . 19876 1 1066 . 1 1 102 102 GLY CA C 13 44.734 0.3 . 1 . . . A 91 GLY CA . 19876 1 1067 . 1 1 102 102 GLY N N 15 111.349 0.3 . 1 . . . A 91 GLY N . 19876 1 1068 . 1 1 103 103 ILE H H 1 8.032 0.020 . 1 . . . A 92 ILE H . 19876 1 1069 . 1 1 103 103 ILE HA H 1 3.878 0.020 . 1 . . . A 92 ILE HA . 19876 1 1070 . 1 1 103 103 ILE HB H 1 1.586 0.020 . 1 . . . A 92 ILE HB . 19876 1 1071 . 1 1 103 103 ILE HG12 H 1 1.117 0.020 . 2 . . . A 92 ILE HG12 . 19876 1 1072 . 1 1 103 103 ILE HG13 H 1 0.905 0.020 . 2 . . . A 92 ILE HG13 . 19876 1 1073 . 1 1 103 103 ILE HG21 H 1 0.509 0.020 . 1 . . . A 92 ILE HG21 . 19876 1 1074 . 1 1 103 103 ILE HG22 H 1 0.509 0.020 . 1 . . . A 92 ILE HG22 . 19876 1 1075 . 1 1 103 103 ILE HG23 H 1 0.509 0.020 . 1 . . . A 92 ILE HG23 . 19876 1 1076 . 1 1 103 103 ILE HD11 H 1 0.311 0.020 . 1 . . . A 92 ILE HD11 . 19876 1 1077 . 1 1 103 103 ILE HD12 H 1 0.311 0.020 . 1 . . . A 92 ILE HD12 . 19876 1 1078 . 1 1 103 103 ILE HD13 H 1 0.311 0.020 . 1 . . . A 92 ILE HD13 . 19876 1 1079 . 1 1 103 103 ILE C C 13 173.956 0.3 . 1 . . . A 92 ILE C . 19876 1 1080 . 1 1 103 103 ILE CA C 13 60.127 0.3 . 1 . . . A 92 ILE CA . 19876 1 1081 . 1 1 103 103 ILE CB C 13 38.442 0.3 . 1 . . . A 92 ILE CB . 19876 1 1082 . 1 1 103 103 ILE CG1 C 13 27.208 0.3 . 1 . . . A 92 ILE CG1 . 19876 1 1083 . 1 1 103 103 ILE CG2 C 13 17.695 0.3 . 1 . . . A 92 ILE CG2 . 19876 1 1084 . 1 1 103 103 ILE CD1 C 13 12.196 0.3 . 1 . . . A 92 ILE CD1 . 19876 1 1085 . 1 1 103 103 ILE N N 15 121.703 0.3 . 1 . . . A 92 ILE N . 19876 1 1086 . 1 1 104 104 ASN H H 1 8.423 0.020 . 1 . . . A 93 ASN H . 19876 1 1087 . 1 1 104 104 ASN HA H 1 4.914 0.020 . 1 . . . A 93 ASN HA . 19876 1 1088 . 1 1 104 104 ASN HB2 H 1 2.711 0.020 . 1 . . . A 93 ASN HB2 . 19876 1 1089 . 1 1 104 104 ASN HB3 H 1 2.711 0.020 . 1 . . . A 93 ASN HB3 . 19876 1 1090 . 1 1 104 104 ASN HD21 H 1 7.526 0.020 . 1 . . . A 93 ASN HD21 . 19876 1 1091 . 1 1 104 104 ASN HD22 H 1 6.678 0.020 . 1 . . . A 93 ASN HD22 . 19876 1 1092 . 1 1 104 104 ASN C C 13 173.468 0.3 . 1 . . . A 93 ASN C . 19876 1 1093 . 1 1 104 104 ASN CA C 13 51.442 0.3 . 1 . . . A 93 ASN CA . 19876 1 1094 . 1 1 104 104 ASN CB C 13 40.147 0.3 . 1 . . . A 93 ASN CB . 19876 1 1095 . 1 1 104 104 ASN N N 15 125.791 0.3 . 1 . . . A 93 ASN N . 19876 1 1096 . 1 1 104 104 ASN ND2 N 15 114.059 0.3 . 1 . . . A 93 ASN ND2 . 19876 1 1097 . 1 1 105 105 ASP H H 1 8.710 0.020 . 1 . . . A 94 ASP H . 19876 1 1098 . 1 1 105 105 ASP HA H 1 4.491 0.020 . 1 . . . A 94 ASP HA . 19876 1 1099 . 1 1 105 105 ASP HB2 H 1 2.571 0.020 . 1 . . . A 94 ASP HB2 . 19876 1 1100 . 1 1 105 105 ASP HB3 H 1 2.571 0.020 . 1 . . . A 94 ASP HB3 . 19876 1 1101 . 1 1 105 105 ASP CA C 13 59.118 0.3 . 1 . . . A 94 ASP CA . 19876 1 1102 . 1 1 105 105 ASP CB C 13 39.288 0.3 . 1 . . . A 94 ASP CB . 19876 1 1103 . 1 1 105 105 ASP N N 15 122.019 0.3 . 1 . . . A 94 ASP N . 19876 1 1104 . 1 1 106 106 PRO HA H 1 4.154 0.020 . 1 . . . A 95 PRO HA . 19876 1 1105 . 1 1 106 106 PRO HB2 H 1 2.206 0.020 . 2 . . . A 95 PRO HB2 . 19876 1 1106 . 1 1 106 106 PRO HB3 H 1 1.715 0.020 . 2 . . . A 95 PRO HB3 . 19876 1 1107 . 1 1 106 106 PRO HG2 H 1 2.038 0.020 . 2 . . . A 95 PRO HG2 . 19876 1 1108 . 1 1 106 106 PRO HG3 H 1 1.873 0.020 . 2 . . . A 95 PRO HG3 . 19876 1 1109 . 1 1 106 106 PRO HD2 H 1 3.694 0.020 . 2 . . . A 95 PRO HD2 . 19876 1 1110 . 1 1 106 106 PRO HD3 H 1 3.538 0.020 . 2 . . . A 95 PRO HD3 . 19876 1 1111 . 1 1 106 106 PRO CA C 13 66.554 0.3 . 1 . . . A 95 PRO CA . 19876 1 1112 . 1 1 106 106 PRO CB C 13 30.749 0.3 . 1 . . . A 95 PRO CB . 19876 1 1113 . 1 1 106 106 PRO CG C 13 28.451 0.3 . 1 . . . A 95 PRO CG . 19876 1 1114 . 1 1 106 106 PRO CD C 13 50.336 0.3 . 1 . . . A 95 PRO CD . 19876 1 1115 . 1 1 107 107 GLU H H 1 7.954 0.020 . 1 . . . A 96 GLU H . 19876 1 1116 . 1 1 107 107 GLU HA H 1 3.861 0.020 . 1 . . . A 96 GLU HA . 19876 1 1117 . 1 1 107 107 GLU HB2 H 1 2.061 0.020 . 2 . . . A 96 GLU HB2 . 19876 1 1118 . 1 1 107 107 GLU HB3 H 1 1.705 0.020 . 2 . . . A 96 GLU HB3 . 19876 1 1119 . 1 1 107 107 GLU HG2 H 1 2.239 0.020 . 2 . . . A 96 GLU HG2 . 19876 1 1120 . 1 1 107 107 GLU HG3 H 1 2.110 0.020 . 2 . . . A 96 GLU HG3 . 19876 1 1121 . 1 1 107 107 GLU C C 13 177.730 0.3 . 1 . . . A 96 GLU C . 19876 1 1122 . 1 1 107 107 GLU CA C 13 59.882 0.3 . 1 . . . A 96 GLU CA . 19876 1 1123 . 1 1 107 107 GLU CB C 13 28.838 0.3 . 1 . . . A 96 GLU CB . 19876 1 1124 . 1 1 107 107 GLU CG C 13 37.729 0.3 . 1 . . . A 96 GLU CG . 19876 1 1125 . 1 1 107 107 GLU N N 15 117.965 0.3 . 1 . . . A 96 GLU N . 19876 1 1126 . 1 1 108 108 LEU H H 1 7.825 0.020 . 1 . . . A 97 LEU H . 19876 1 1127 . 1 1 108 108 LEU HA H 1 4.109 0.020 . 1 . . . A 97 LEU HA . 19876 1 1128 . 1 1 108 108 LEU HB2 H 1 1.953 0.020 . 1 . . . A 97 LEU HB2 . 19876 1 1129 . 1 1 108 108 LEU HB3 H 1 1.953 0.020 . 1 . . . A 97 LEU HB3 . 19876 1 1130 . 1 1 108 108 LEU HG H 1 1.455 0.020 . 1 . . . A 97 LEU HG . 19876 1 1131 . 1 1 108 108 LEU HD11 H 1 0.837 0.020 . 1 . . . A 97 LEU HD11 . 19876 1 1132 . 1 1 108 108 LEU HD12 H 1 0.837 0.020 . 1 . . . A 97 LEU HD12 . 19876 1 1133 . 1 1 108 108 LEU HD13 H 1 0.837 0.020 . 1 . . . A 97 LEU HD13 . 19876 1 1134 . 1 1 108 108 LEU HD21 H 1 0.727 0.020 . 1 . . . A 97 LEU HD21 . 19876 1 1135 . 1 1 108 108 LEU HD22 H 1 0.727 0.020 . 1 . . . A 97 LEU HD22 . 19876 1 1136 . 1 1 108 108 LEU HD23 H 1 0.727 0.020 . 1 . . . A 97 LEU HD23 . 19876 1 1137 . 1 1 108 108 LEU C C 13 177.211 0.3 . 1 . . . A 97 LEU C . 19876 1 1138 . 1 1 108 108 LEU CA C 13 58.051 0.3 . 1 . . . A 97 LEU CA . 19876 1 1139 . 1 1 108 108 LEU CB C 13 41.771 0.3 . 1 . . . A 97 LEU CB . 19876 1 1140 . 1 1 108 108 LEU CG C 13 27.305 0.3 . 1 . . . A 97 LEU CG . 19876 1 1141 . 1 1 108 108 LEU CD1 C 13 24.436 0.3 . 1 . . . A 97 LEU CD1 . 19876 1 1142 . 1 1 108 108 LEU CD2 C 13 25.658 0.3 . 1 . . . A 97 LEU CD2 . 19876 1 1143 . 1 1 108 108 LEU N N 15 124.427 0.3 . 1 . . . A 97 LEU N . 19876 1 1144 . 1 1 109 109 GLN H H 1 8.481 0.020 . 1 . . . A 98 GLN H . 19876 1 1145 . 1 1 109 109 GLN HA H 1 3.990 0.020 . 1 . . . A 98 GLN HA . 19876 1 1146 . 1 1 109 109 GLN HB2 H 1 1.961 0.020 . 1 . . . A 98 GLN HB2 . 19876 1 1147 . 1 1 109 109 GLN HB3 H 1 1.961 0.020 . 1 . . . A 98 GLN HB3 . 19876 1 1148 . 1 1 109 109 GLN HG2 H 1 2.420 0.020 . 2 . . . A 98 GLN HG2 . 19876 1 1149 . 1 1 109 109 GLN HG3 H 1 2.340 0.020 . 2 . . . A 98 GLN HG3 . 19876 1 1150 . 1 1 109 109 GLN HE21 H 1 7.608 0.020 . 1 . . . A 98 GLN HE21 . 19876 1 1151 . 1 1 109 109 GLN HE22 H 1 6.696 0.020 . 1 . . . A 98 GLN HE22 . 19876 1 1152 . 1 1 109 109 GLN C C 13 177.762 0.3 . 1 . . . A 98 GLN C . 19876 1 1153 . 1 1 109 109 GLN CA C 13 58.623 0.3 . 1 . . . A 98 GLN CA . 19876 1 1154 . 1 1 109 109 GLN CB C 13 28.001 0.3 . 1 . . . A 98 GLN CB . 19876 1 1155 . 1 1 109 109 GLN CG C 13 33.885 0.3 . 1 . . . A 98 GLN CG . 19876 1 1156 . 1 1 109 109 GLN N N 15 117.195 0.3 . 1 . . . A 98 GLN N . 19876 1 1157 . 1 1 109 109 GLN NE2 N 15 112.465 0.3 . 1 . . . A 98 GLN NE2 . 19876 1 1158 . 1 1 110 110 ARG H H 1 7.836 0.020 . 1 . . . A 99 ARG H . 19876 1 1159 . 1 1 110 110 ARG HA H 1 3.922 0.020 . 1 . . . A 99 ARG HA . 19876 1 1160 . 1 1 110 110 ARG HB2 H 1 1.813 0.020 . 1 . . . A 99 ARG HB2 . 19876 1 1161 . 1 1 110 110 ARG HB3 H 1 1.813 0.020 . 1 . . . A 99 ARG HB3 . 19876 1 1162 . 1 1 110 110 ARG HG2 H 1 1.630 0.020 . 2 . . . A 99 ARG HG2 . 19876 1 1163 . 1 1 110 110 ARG HG3 H 1 1.517 0.020 . 2 . . . A 99 ARG HG3 . 19876 1 1164 . 1 1 110 110 ARG HD2 H 1 3.149 0.020 . 1 . . . A 99 ARG HD2 . 19876 1 1165 . 1 1 110 110 ARG HD3 H 1 3.149 0.020 . 1 . . . A 99 ARG HD3 . 19876 1 1166 . 1 1 110 110 ARG C C 13 176.055 0.3 . 1 . . . A 99 ARG C . 19876 1 1167 . 1 1 110 110 ARG CA C 13 59.613 0.3 . 1 . . . A 99 ARG CA . 19876 1 1168 . 1 1 110 110 ARG CB C 13 30.322 0.3 . 1 . . . A 99 ARG CB . 19876 1 1169 . 1 1 110 110 ARG CG C 13 27.608 0.3 . 1 . . . A 99 ARG CG . 19876 1 1170 . 1 1 110 110 ARG CD C 13 43.592 0.3 . 1 . . . A 99 ARG CD . 19876 1 1171 . 1 1 110 110 ARG N N 15 119.687 0.3 . 1 . . . A 99 ARG N . 19876 1 1172 . 1 1 111 111 TRP H H 1 7.731 0.020 . 1 . . . A 100 TRP H . 19876 1 1173 . 1 1 111 111 TRP HA H 1 4.229 0.020 . 1 . . . A 100 TRP HA . 19876 1 1174 . 1 1 111 111 TRP HB2 H 1 3.596 0.020 . 2 . . . A 100 TRP HB2 . 19876 1 1175 . 1 1 111 111 TRP HB3 H 1 3.079 0.020 . 2 . . . A 100 TRP HB3 . 19876 1 1176 . 1 1 111 111 TRP HD1 H 1 6.854 0.020 . 1 . . . A 100 TRP HD1 . 19876 1 1177 . 1 1 111 111 TRP HE1 H 1 10.138 0.020 . 1 . . . A 100 TRP HE1 . 19876 1 1178 . 1 1 111 111 TRP HE3 H 1 7.500 0.020 . 1 . . . A 100 TRP HE3 . 19876 1 1179 . 1 1 111 111 TRP HZ2 H 1 7.277 0.020 . 1 . . . A 100 TRP HZ2 . 19876 1 1180 . 1 1 111 111 TRP HZ3 H 1 6.765 0.020 . 1 . . . A 100 TRP HZ3 . 19876 1 1181 . 1 1 111 111 TRP HH2 H 1 6.950 0.020 . 1 . . . A 100 TRP HH2 . 19876 1 1182 . 1 1 111 111 TRP C C 13 176.004 0.3 . 1 . . . A 100 TRP C . 19876 1 1183 . 1 1 111 111 TRP CA C 13 62.005 0.3 . 1 . . . A 100 TRP CA . 19876 1 1184 . 1 1 111 111 TRP CB C 13 28.948 0.3 . 1 . . . A 100 TRP CB . 19876 1 1185 . 1 1 111 111 TRP CD1 C 13 125.182 0.3 . 1 . . . A 100 TRP CD1 . 19876 1 1186 . 1 1 111 111 TRP CE3 C 13 121.412 0.3 . 1 . . . A 100 TRP CE3 . 19876 1 1187 . 1 1 111 111 TRP CZ2 C 13 114.521 0.3 . 1 . . . A 100 TRP CZ2 . 19876 1 1188 . 1 1 111 111 TRP CZ3 C 13 123.962 0.3 . 1 . . . A 100 TRP CZ3 . 19876 1 1189 . 1 1 111 111 TRP CH2 C 13 120.712 0.3 . 1 . . . A 100 TRP CH2 . 19876 1 1190 . 1 1 111 111 TRP N N 15 119.762 0.3 . 1 . . . A 100 TRP N . 19876 1 1191 . 1 1 111 111 TRP NE1 N 15 132.753 0.3 . 1 . . . A 100 TRP NE1 . 19876 1 1192 . 1 1 112 112 GLN H H 1 8.277 0.020 . 1 . . . A 101 GLN H . 19876 1 1193 . 1 1 112 112 GLN HA H 1 3.485 0.020 . 1 . . . A 101 GLN HA . 19876 1 1194 . 1 1 112 112 GLN HB2 H 1 2.149 0.020 . 2 . . . A 101 GLN HB2 . 19876 1 1195 . 1 1 112 112 GLN HB3 H 1 1.915 0.020 . 2 . . . A 101 GLN HB3 . 19876 1 1196 . 1 1 112 112 GLN HG2 H 1 2.557 0.020 . 2 . . . A 101 GLN HG2 . 19876 1 1197 . 1 1 112 112 GLN HG3 H 1 2.359 0.020 . 2 . . . A 101 GLN HG3 . 19876 1 1198 . 1 1 112 112 GLN HE21 H 1 7.097 0.020 . 1 . . . A 101 GLN HE21 . 19876 1 1199 . 1 1 112 112 GLN HE22 H 1 6.681 0.020 . 1 . . . A 101 GLN HE22 . 19876 1 1200 . 1 1 112 112 GLN C C 13 177.498 0.3 . 1 . . . A 101 GLN C . 19876 1 1201 . 1 1 112 112 GLN CA C 13 59.164 0.3 . 1 . . . A 101 GLN CA . 19876 1 1202 . 1 1 112 112 GLN CB C 13 28.082 0.3 . 1 . . . A 101 GLN CB . 19876 1 1203 . 1 1 112 112 GLN CG C 13 33.813 0.3 . 1 . . . A 101 GLN CG . 19876 1 1204 . 1 1 112 112 GLN N N 15 115.464 0.3 . 1 . . . A 101 GLN N . 19876 1 1205 . 1 1 112 112 GLN NE2 N 15 109.631 0.3 . 1 . . . A 101 GLN NE2 . 19876 1 1206 . 1 1 113 113 LYS H H 1 8.047 0.020 . 1 . . . A 102 LYS H . 19876 1 1207 . 1 1 113 113 LYS HA H 1 3.912 0.020 . 1 . . . A 102 LYS HA . 19876 1 1208 . 1 1 113 113 LYS HB2 H 1 1.908 0.020 . 2 . . . A 102 LYS HB2 . 19876 1 1209 . 1 1 113 113 LYS HB3 H 1 1.815 0.020 . 2 . . . A 102 LYS HB3 . 19876 1 1210 . 1 1 113 113 LYS HG2 H 1 1.470 0.020 . 2 . . . A 102 LYS HG2 . 19876 1 1211 . 1 1 113 113 LYS HG3 H 1 1.347 0.020 . 2 . . . A 102 LYS HG3 . 19876 1 1212 . 1 1 113 113 LYS HD2 H 1 1.529 0.020 . 1 . . . A 102 LYS HD2 . 19876 1 1213 . 1 1 113 113 LYS HD3 H 1 1.529 0.020 . 1 . . . A 102 LYS HD3 . 19876 1 1214 . 1 1 113 113 LYS HE2 H 1 2.811 0.020 . 1 . . . A 102 LYS HE2 . 19876 1 1215 . 1 1 113 113 LYS HE3 H 1 2.811 0.020 . 1 . . . A 102 LYS HE3 . 19876 1 1216 . 1 1 113 113 LYS C C 13 178.364 0.3 . 1 . . . A 102 LYS C . 19876 1 1217 . 1 1 113 113 LYS CA C 13 59.179 0.3 . 1 . . . A 102 LYS CA . 19876 1 1218 . 1 1 113 113 LYS CB C 13 31.825 0.3 . 1 . . . A 102 LYS CB . 19876 1 1219 . 1 1 113 113 LYS CG C 13 25.335 0.3 . 1 . . . A 102 LYS CG . 19876 1 1220 . 1 1 113 113 LYS CD C 13 28.723 0.3 . 1 . . . A 102 LYS CD . 19876 1 1221 . 1 1 113 113 LYS CE C 13 41.894 0.3 . 1 . . . A 102 LYS CE . 19876 1 1222 . 1 1 113 113 LYS N N 15 119.856 0.3 . 1 . . . A 102 LYS N . 19876 1 1223 . 1 1 114 114 THR H H 1 8.816 0.020 . 1 . . . A 103 THR H . 19876 1 1224 . 1 1 114 114 THR HA H 1 3.658 0.020 . 1 . . . A 103 THR HA . 19876 1 1225 . 1 1 114 114 THR HB H 1 4.316 0.020 . 1 . . . A 103 THR HB . 19876 1 1226 . 1 1 114 114 THR HG21 H 1 1.125 0.020 . 1 . . . A 103 THR HG21 . 19876 1 1227 . 1 1 114 114 THR HG22 H 1 1.125 0.020 . 1 . . . A 103 THR HG22 . 19876 1 1228 . 1 1 114 114 THR HG23 H 1 1.125 0.020 . 1 . . . A 103 THR HG23 . 19876 1 1229 . 1 1 114 114 THR C C 13 174.266 0.3 . 1 . . . A 103 THR C . 19876 1 1230 . 1 1 114 114 THR CA C 13 66.206 0.3 . 1 . . . A 103 THR CA . 19876 1 1231 . 1 1 114 114 THR CB C 13 67.515 0.3 . 1 . . . A 103 THR CB . 19876 1 1232 . 1 1 114 114 THR CG2 C 13 22.719 0.3 . 1 . . . A 103 THR CG2 . 19876 1 1233 . 1 1 114 114 THR N N 15 121.217 0.3 . 1 . . . A 103 THR N . 19876 1 1234 . 1 1 115 115 LYS H H 1 8.258 0.020 . 1 . . . A 104 LYS H . 19876 1 1235 . 1 1 115 115 LYS HA H 1 3.051 0.020 . 1 . . . A 104 LYS HA . 19876 1 1236 . 1 1 115 115 LYS HB2 H 1 1.280 0.020 . 1 . . . A 104 LYS HB2 . 19876 1 1237 . 1 1 115 115 LYS HB3 H 1 1.280 0.020 . 1 . . . A 104 LYS HB3 . 19876 1 1238 . 1 1 115 115 LYS HG2 H 1 0.257 0.020 . 2 . . . A 104 LYS HG2 . 19876 1 1239 . 1 1 115 115 LYS HG3 H 1 0.150 0.020 . 2 . . . A 104 LYS HG3 . 19876 1 1240 . 1 1 115 115 LYS HD2 H 1 0.391 0.020 . 2 . . . A 104 LYS HD2 . 19876 1 1241 . 1 1 115 115 LYS HD3 H 1 0.312 0.020 . 2 . . . A 104 LYS HD3 . 19876 1 1242 . 1 1 115 115 LYS HE2 H 1 0.500 0.020 . 1 . . . A 104 LYS HE2 . 19876 1 1243 . 1 1 115 115 LYS HE3 H 1 0.500 0.020 . 1 . . . A 104 LYS HE3 . 19876 1 1244 . 1 1 115 115 LYS C C 13 176.952 0.3 . 1 . . . A 104 LYS C . 19876 1 1245 . 1 1 115 115 LYS CA C 13 60.520 0.3 . 1 . . . A 104 LYS CA . 19876 1 1246 . 1 1 115 115 LYS CB C 13 30.340 0.3 . 1 . . . A 104 LYS CB . 19876 1 1247 . 1 1 115 115 LYS CG C 13 23.056 0.3 . 1 . . . A 104 LYS CG . 19876 1 1248 . 1 1 115 115 LYS CD C 13 29.569 0.3 . 1 . . . A 104 LYS CD . 19876 1 1249 . 1 1 115 115 LYS CE C 13 39.962 0.3 . 1 . . . A 104 LYS CE . 19876 1 1250 . 1 1 115 115 LYS N N 15 122.265 0.3 . 1 . . . A 104 LYS N . 19876 1 1251 . 1 1 116 116 GLU H H 1 7.963 0.020 . 1 . . . A 105 GLU H . 19876 1 1252 . 1 1 116 116 GLU HA H 1 3.598 0.020 . 1 . . . A 105 GLU HA . 19876 1 1253 . 1 1 116 116 GLU HB2 H 1 1.922 0.020 . 1 . . . A 105 GLU HB2 . 19876 1 1254 . 1 1 116 116 GLU HB3 H 1 1.922 0.020 . 1 . . . A 105 GLU HB3 . 19876 1 1255 . 1 1 116 116 GLU HG2 H 1 2.216 0.020 . 2 . . . A 105 GLU HG2 . 19876 1 1256 . 1 1 116 116 GLU HG3 H 1 1.955 0.020 . 2 . . . A 105 GLU HG3 . 19876 1 1257 . 1 1 116 116 GLU C C 13 178.038 0.3 . 1 . . . A 105 GLU C . 19876 1 1258 . 1 1 116 116 GLU CA C 13 59.518 0.3 . 1 . . . A 105 GLU CA . 19876 1 1259 . 1 1 116 116 GLU CB C 13 29.032 0.3 . 1 . . . A 105 GLU CB . 19876 1 1260 . 1 1 116 116 GLU CG C 13 36.235 0.3 . 1 . . . A 105 GLU CG . 19876 1 1261 . 1 1 116 116 GLU N N 15 118.912 0.3 . 1 . . . A 105 GLU N . 19876 1 1262 . 1 1 117 117 ARG H H 1 7.940 0.020 . 1 . . . A 106 ARG H . 19876 1 1263 . 1 1 117 117 ARG HA H 1 3.696 0.020 . 1 . . . A 106 ARG HA . 19876 1 1264 . 1 1 117 117 ARG HB2 H 1 1.844 0.020 . 2 . . . A 106 ARG HB2 . 19876 1 1265 . 1 1 117 117 ARG HB3 H 1 1.746 0.020 . 2 . . . A 106 ARG HB3 . 19876 1 1266 . 1 1 117 117 ARG HG2 H 1 1.741 0.020 . 2 . . . A 106 ARG HG2 . 19876 1 1267 . 1 1 117 117 ARG HG3 H 1 1.439 0.020 . 2 . . . A 106 ARG HG3 . 19876 1 1268 . 1 1 117 117 ARG HD2 H 1 3.134 0.020 . 2 . . . A 106 ARG HD2 . 19876 1 1269 . 1 1 117 117 ARG HD3 H 1 3.053 0.020 . 2 . . . A 106 ARG HD3 . 19876 1 1270 . 1 1 117 117 ARG C C 13 177.744 0.3 . 1 . . . A 106 ARG C . 19876 1 1271 . 1 1 117 117 ARG CA C 13 59.994 0.3 . 1 . . . A 106 ARG CA . 19876 1 1272 . 1 1 117 117 ARG CB C 13 30.788 0.3 . 1 . . . A 106 ARG CB . 19876 1 1273 . 1 1 117 117 ARG CG C 13 28.113 0.3 . 1 . . . A 106 ARG CG . 19876 1 1274 . 1 1 117 117 ARG CD C 13 43.793 0.3 . 1 . . . A 106 ARG CD . 19876 1 1275 . 1 1 117 117 ARG N N 15 120.201 0.3 . 1 . . . A 106 ARG N . 19876 1 1276 . 1 1 118 118 LEU H H 1 8.242 0.020 . 1 . . . A 107 LEU H . 19876 1 1277 . 1 1 118 118 LEU HA H 1 3.745 0.020 . 1 . . . A 107 LEU HA . 19876 1 1278 . 1 1 118 118 LEU HB2 H 1 1.724 0.020 . 2 . . . A 107 LEU HB2 . 19876 1 1279 . 1 1 118 118 LEU HB3 H 1 1.462 0.020 . 2 . . . A 107 LEU HB3 . 19876 1 1280 . 1 1 118 118 LEU HG H 1 0.788 0.020 . 1 . . . A 107 LEU HG . 19876 1 1281 . 1 1 118 118 LEU HD11 H 1 0.228 0.020 . 1 . . . A 107 LEU HD11 . 19876 1 1282 . 1 1 118 118 LEU HD12 H 1 0.228 0.020 . 1 . . . A 107 LEU HD12 . 19876 1 1283 . 1 1 118 118 LEU HD13 H 1 0.228 0.020 . 1 . . . A 107 LEU HD13 . 19876 1 1284 . 1 1 118 118 LEU HD21 H 1 0.342 0.020 . 1 . . . A 107 LEU HD21 . 19876 1 1285 . 1 1 118 118 LEU HD22 H 1 0.342 0.020 . 1 . . . A 107 LEU HD22 . 19876 1 1286 . 1 1 118 118 LEU HD23 H 1 0.342 0.020 . 1 . . . A 107 LEU HD23 . 19876 1 1287 . 1 1 118 118 LEU C C 13 176.173 0.3 . 1 . . . A 107 LEU C . 19876 1 1288 . 1 1 118 118 LEU CA C 13 57.437 0.3 . 1 . . . A 107 LEU CA . 19876 1 1289 . 1 1 118 118 LEU CB C 13 40.869 0.3 . 1 . . . A 107 LEU CB . 19876 1 1290 . 1 1 118 118 LEU CD1 C 13 22.827 0.3 . 1 . . . A 107 LEU CD1 . 19876 1 1291 . 1 1 118 118 LEU CD2 C 13 26.633 0.3 . 1 . . . A 107 LEU CD2 . 19876 1 1292 . 1 1 118 118 LEU N N 15 120.982 0.3 . 1 . . . A 107 LEU N . 19876 1 1293 . 1 1 119 119 PHE H H 1 8.772 0.020 . 1 . . . A 108 PHE H . 19876 1 1294 . 1 1 119 119 PHE HA H 1 4.002 0.020 . 1 . . . A 108 PHE HA . 19876 1 1295 . 1 1 119 119 PHE HB2 H 1 2.945 0.020 . 2 . . . A 108 PHE HB2 . 19876 1 1296 . 1 1 119 119 PHE HB3 H 1 2.899 0.020 . 2 . . . A 108 PHE HB3 . 19876 1 1297 . 1 1 119 119 PHE HD1 H 1 7.241 0.020 . 1 . . . A 108 PHE HD1 . 19876 1 1298 . 1 1 119 119 PHE HD2 H 1 7.241 0.020 . 1 . . . A 108 PHE HD2 . 19876 1 1299 . 1 1 119 119 PHE HE1 H 1 6.825 0.020 . 1 . . . A 108 PHE HE1 . 19876 1 1300 . 1 1 119 119 PHE HE2 H 1 6.825 0.020 . 1 . . . A 108 PHE HE2 . 19876 1 1301 . 1 1 119 119 PHE HZ H 1 6.797 0.020 . 1 . . . A 108 PHE HZ . 19876 1 1302 . 1 1 119 119 PHE C C 13 177.654 0.3 . 1 . . . A 108 PHE C . 19876 1 1303 . 1 1 119 119 PHE CA C 13 61.189 0.3 . 1 . . . A 108 PHE CA . 19876 1 1304 . 1 1 119 119 PHE CB C 13 36.785 0.3 . 1 . . . A 108 PHE CB . 19876 1 1305 . 1 1 119 119 PHE CD2 C 13 131.174 0.3 . 1 . . . A 108 PHE CD2 . 19876 1 1306 . 1 1 119 119 PHE CE2 C 13 130.895 0.3 . 1 . . . A 108 PHE CE2 . 19876 1 1307 . 1 1 119 119 PHE CZ C 13 128.707 0.3 . 1 . . . A 108 PHE CZ . 19876 1 1308 . 1 1 119 119 PHE N N 15 117.793 0.3 . 1 . . . A 108 PHE N . 19876 1 1309 . 1 1 120 120 ARG H H 1 7.865 0.020 . 1 . . . A 109 ARG H . 19876 1 1310 . 1 1 120 120 ARG HA H 1 4.006 0.020 . 1 . . . A 109 ARG HA . 19876 1 1311 . 1 1 120 120 ARG HB2 H 1 1.796 0.020 . 2 . . . A 109 ARG HB2 . 19876 1 1312 . 1 1 120 120 ARG HB3 H 1 1.680 0.020 . 2 . . . A 109 ARG HB3 . 19876 1 1313 . 1 1 120 120 ARG HG2 H 1 1.693 0.020 . 2 . . . A 109 ARG HG2 . 19876 1 1314 . 1 1 120 120 ARG HG3 H 1 1.467 0.020 . 2 . . . A 109 ARG HG3 . 19876 1 1315 . 1 1 120 120 ARG HD2 H 1 3.073 0.020 . 2 . . . A 109 ARG HD2 . 19876 1 1316 . 1 1 120 120 ARG HD3 H 1 3.033 0.020 . 2 . . . A 109 ARG HD3 . 19876 1 1317 . 1 1 120 120 ARG C C 13 177.785 0.3 . 1 . . . A 109 ARG C . 19876 1 1318 . 1 1 120 120 ARG CA C 13 59.342 0.3 . 1 . . . A 109 ARG CA . 19876 1 1319 . 1 1 120 120 ARG CB C 13 29.798 0.3 . 1 . . . A 109 ARG CB . 19876 1 1320 . 1 1 120 120 ARG CG C 13 27.953 0.3 . 1 . . . A 109 ARG CG . 19876 1 1321 . 1 1 120 120 ARG CD C 13 43.328 0.3 . 1 . . . A 109 ARG CD . 19876 1 1322 . 1 1 120 120 ARG CZ C 13 128.096 0.3 . 1 . . . A 109 ARG CZ . 19876 1 1323 . 1 1 120 120 ARG N N 15 121.726 0.3 . 1 . . . A 109 ARG N . 19876 1 1324 . 1 1 121 121 LEU H H 1 7.338 0.020 . 1 . . . A 110 LEU H . 19876 1 1325 . 1 1 121 121 LEU HA H 1 4.094 0.020 . 1 . . . A 110 LEU HA . 19876 1 1326 . 1 1 121 121 LEU HB2 H 1 1.484 0.020 . 2 . . . A 110 LEU HB2 . 19876 1 1327 . 1 1 121 121 LEU HB3 H 1 1.374 0.020 . 2 . . . A 110 LEU HB3 . 19876 1 1328 . 1 1 121 121 LEU HG H 1 1.407 0.020 . 1 . . . A 110 LEU HG . 19876 1 1329 . 1 1 121 121 LEU HD11 H 1 0.718 0.020 . 1 . . . A 110 LEU HD11 . 19876 1 1330 . 1 1 121 121 LEU HD12 H 1 0.718 0.020 . 1 . . . A 110 LEU HD12 . 19876 1 1331 . 1 1 121 121 LEU HD13 H 1 0.718 0.020 . 1 . . . A 110 LEU HD13 . 19876 1 1332 . 1 1 121 121 LEU HD21 H 1 0.560 0.020 . 1 . . . A 110 LEU HD21 . 19876 1 1333 . 1 1 121 121 LEU HD22 H 1 0.560 0.020 . 1 . . . A 110 LEU HD22 . 19876 1 1334 . 1 1 121 121 LEU HD23 H 1 0.560 0.020 . 1 . . . A 110 LEU HD23 . 19876 1 1335 . 1 1 121 121 LEU C C 13 178.537 0.3 . 1 . . . A 110 LEU C . 19876 1 1336 . 1 1 121 121 LEU CA C 13 57.841 0.3 . 1 . . . A 110 LEU CA . 19876 1 1337 . 1 1 121 121 LEU CB C 13 40.821 0.3 . 1 . . . A 110 LEU CB . 19876 1 1338 . 1 1 121 121 LEU CG C 13 27.383 0.3 . 1 . . . A 110 LEU CG . 19876 1 1339 . 1 1 121 121 LEU CD1 C 13 24.781 0.3 . 1 . . . A 110 LEU CD1 . 19876 1 1340 . 1 1 121 121 LEU CD2 C 13 25.068 0.3 . 1 . . . A 110 LEU CD2 . 19876 1 1341 . 1 1 121 121 LEU N N 15 121.486 0.3 . 1 . . . A 110 LEU N . 19876 1 1342 . 1 1 122 122 PHE H H 1 7.584 0.020 . 1 . . . A 111 PHE H . 19876 1 1343 . 1 1 122 122 PHE HA H 1 4.316 0.020 . 1 . . . A 111 PHE HA . 19876 1 1344 . 1 1 122 122 PHE HB2 H 1 2.852 0.020 . 2 . . . A 111 PHE HB2 . 19876 1 1345 . 1 1 122 122 PHE HB3 H 1 2.724 0.020 . 2 . . . A 111 PHE HB3 . 19876 1 1346 . 1 1 122 122 PHE HD1 H 1 6.437 0.020 . 1 . . . A 111 PHE HD1 . 19876 1 1347 . 1 1 122 122 PHE HD2 H 1 6.437 0.020 . 1 . . . A 111 PHE HD2 . 19876 1 1348 . 1 1 122 122 PHE HE1 H 1 6.517 0.020 . 1 . . . A 111 PHE HE1 . 19876 1 1349 . 1 1 122 122 PHE HE2 H 1 6.517 0.020 . 1 . . . A 111 PHE HE2 . 19876 1 1350 . 1 1 122 122 PHE HZ H 1 6.649 0.020 . 1 . . . A 111 PHE HZ . 19876 1 1351 . 1 1 122 122 PHE C C 13 175.369 0.3 . 1 . . . A 111 PHE C . 19876 1 1352 . 1 1 122 122 PHE CA C 13 59.079 0.3 . 1 . . . A 111 PHE CA . 19876 1 1353 . 1 1 122 122 PHE CB C 13 38.511 0.3 . 1 . . . A 111 PHE CB . 19876 1 1354 . 1 1 122 122 PHE CD1 C 13 130.221 0.3 . 1 . . . A 111 PHE CD1 . 19876 1 1355 . 1 1 122 122 PHE CE1 C 13 130.526 0.3 . 1 . . . A 111 PHE CE1 . 19876 1 1356 . 1 1 122 122 PHE CZ C 13 128.096 0.3 . 1 . . . A 111 PHE CZ . 19876 1 1357 . 1 1 122 122 PHE N N 15 115.883 0.3 . 1 . . . A 111 PHE N . 19876 1 1358 . 1 1 123 123 SER H H 1 7.554 0.020 . 1 . . . A 112 SER H . 19876 1 1359 . 1 1 123 123 SER HA H 1 4.329 0.020 . 1 . . . A 112 SER HA . 19876 1 1360 . 1 1 123 123 SER HB2 H 1 3.866 0.020 . 1 . . . A 112 SER HB2 . 19876 1 1361 . 1 1 123 123 SER HB3 H 1 3.866 0.020 . 1 . . . A 112 SER HB3 . 19876 1 1362 . 1 1 123 123 SER C C 13 173.353 0.3 . 1 . . . A 112 SER C . 19876 1 1363 . 1 1 123 123 SER CA C 13 59.050 0.3 . 1 . . . A 112 SER CA . 19876 1 1364 . 1 1 123 123 SER CB C 13 63.841 0.3 . 1 . . . A 112 SER CB . 19876 1 1365 . 1 1 123 123 SER N N 15 111.693 0.3 . 1 . . . A 112 SER N . 19876 1 1366 . 1 1 124 124 GLY H H 1 7.781 0.020 . 1 . . . A 113 GLY H . 19876 1 1367 . 1 1 124 124 GLY HA2 H 1 4.001 0.020 . 2 . . . A 113 GLY HA2 . 19876 1 1368 . 1 1 124 124 GLY HA3 H 1 3.849 0.020 . 2 . . . A 113 GLY HA3 . 19876 1 1369 . 1 1 124 124 GLY C C 13 173.407 0.3 . 1 . . . A 113 GLY C . 19876 1 1370 . 1 1 124 124 GLY CA C 13 45.374 0.3 . 1 . . . A 113 GLY CA . 19876 1 1371 . 1 1 124 124 GLY N N 15 109.665 0.3 . 1 . . . A 113 GLY N . 19876 1 1372 . 1 1 125 125 GLU H H 1 8.414 0.020 . 1 . . . A 114 GLU H . 19876 1 1373 . 1 1 125 125 GLU HA H 1 4.002 0.020 . 1 . . . A 114 GLU HA . 19876 1 1374 . 1 1 125 125 GLU HB2 H 1 1.799 0.020 . 1 . . . A 114 GLU HB2 . 19876 1 1375 . 1 1 125 125 GLU HB3 H 1 1.799 0.020 . 1 . . . A 114 GLU HB3 . 19876 1 1376 . 1 1 125 125 GLU HG2 H 1 2.032 0.020 . 1 . . . A 114 GLU HG2 . 19876 1 1377 . 1 1 125 125 GLU HG3 H 1 2.032 0.020 . 1 . . . A 114 GLU HG3 . 19876 1 1378 . 1 1 125 125 GLU C C 13 175.971 0.3 . 1 . . . A 114 GLU C . 19876 1 1379 . 1 1 125 125 GLU CA C 13 58.310 0.3 . 1 . . . A 114 GLU CA . 19876 1 1380 . 1 1 125 125 GLU CB C 13 30.164 0.3 . 1 . . . A 114 GLU CB . 19876 1 1381 . 1 1 125 125 GLU CG C 13 36.126 0.3 . 1 . . . A 114 GLU CG . 19876 1 1382 . 1 1 125 125 GLU N N 15 121.028 0.3 . 1 . . . A 114 GLU N . 19876 1 1383 . 1 1 126 126 TYR H H 1 7.939 0.020 . 1 . . . A 115 TYR H . 19876 1 1384 . 1 1 126 126 TYR HA H 1 4.312 0.020 . 1 . . . A 115 TYR HA . 19876 1 1385 . 1 1 126 126 TYR HB2 H 1 2.958 0.020 . 1 . . . A 115 TYR HB2 . 19876 1 1386 . 1 1 126 126 TYR HB3 H 1 2.958 0.020 . 1 . . . A 115 TYR HB3 . 19876 1 1387 . 1 1 126 126 TYR HD1 H 1 6.948 0.020 . 1 . . . A 115 TYR HD1 . 19876 1 1388 . 1 1 126 126 TYR HD2 H 1 6.948 0.020 . 1 . . . A 115 TYR HD2 . 19876 1 1389 . 1 1 126 126 TYR HE1 H 1 6.589 0.020 . 1 . . . A 115 TYR HE1 . 19876 1 1390 . 1 1 126 126 TYR HE2 H 1 6.589 0.020 . 1 . . . A 115 TYR HE2 . 19876 1 1391 . 1 1 126 126 TYR C C 13 175.248 0.3 . 1 . . . A 115 TYR C . 19876 1 1392 . 1 1 126 126 TYR CA C 13 59.734 0.3 . 1 . . . A 115 TYR CA . 19876 1 1393 . 1 1 126 126 TYR CB C 13 38.371 0.3 . 1 . . . A 115 TYR CB . 19876 1 1394 . 1 1 126 126 TYR CD1 C 13 132.795 0.3 . 1 . . . A 115 TYR CD1 . 19876 1 1395 . 1 1 126 126 TYR CE1 C 13 117.771 0.3 . 1 . . . A 115 TYR CE1 . 19876 1 1396 . 1 1 126 126 TYR N N 15 118.828 0.3 . 1 . . . A 115 TYR N . 19876 1 1397 . 1 1 127 127 ILE H H 1 7.892 0.020 . 1 . . . A 116 ILE H . 19876 1 1398 . 1 1 127 127 ILE HA H 1 3.743 0.020 . 1 . . . A 116 ILE HA . 19876 1 1399 . 1 1 127 127 ILE HB H 1 1.803 0.020 . 1 . . . A 116 ILE HB . 19876 1 1400 . 1 1 127 127 ILE HG12 H 1 1.353 0.020 . 2 . . . A 116 ILE HG12 . 19876 1 1401 . 1 1 127 127 ILE HG13 H 1 1.150 0.020 . 2 . . . A 116 ILE HG13 . 19876 1 1402 . 1 1 127 127 ILE HG21 H 1 0.767 0.020 . 1 . . . A 116 ILE HG21 . 19876 1 1403 . 1 1 127 127 ILE HG22 H 1 0.767 0.020 . 1 . . . A 116 ILE HG22 . 19876 1 1404 . 1 1 127 127 ILE HG23 H 1 0.767 0.020 . 1 . . . A 116 ILE HG23 . 19876 1 1405 . 1 1 127 127 ILE HD11 H 1 0.666 0.020 . 1 . . . A 116 ILE HD11 . 19876 1 1406 . 1 1 127 127 ILE HD12 H 1 0.666 0.020 . 1 . . . A 116 ILE HD12 . 19876 1 1407 . 1 1 127 127 ILE HD13 H 1 0.666 0.020 . 1 . . . A 116 ILE HD13 . 19876 1 1408 . 1 1 127 127 ILE C C 13 175.591 0.3 . 1 . . . A 116 ILE C . 19876 1 1409 . 1 1 127 127 ILE CA C 13 62.136 0.3 . 1 . . . A 116 ILE CA . 19876 1 1410 . 1 1 127 127 ILE CB C 13 37.227 0.3 . 1 . . . A 116 ILE CB . 19876 1 1411 . 1 1 127 127 ILE CG1 C 13 28.490 0.3 . 1 . . . A 116 ILE CG1 . 19876 1 1412 . 1 1 127 127 ILE CG2 C 13 17.925 0.3 . 1 . . . A 116 ILE CG2 . 19876 1 1413 . 1 1 127 127 ILE CD1 C 13 12.466 0.3 . 1 . . . A 116 ILE CD1 . 19876 1 1414 . 1 1 127 127 ILE N N 15 120.412 0.3 . 1 . . . A 116 ILE N . 19876 1 1415 . 1 1 128 128 SER H H 1 8.127 0.020 . 1 . . . A 117 SER H . 19876 1 1416 . 1 1 128 128 SER HA H 1 4.141 0.020 . 1 . . . A 117 SER HA . 19876 1 1417 . 1 1 128 128 SER HB2 H 1 3.781 0.020 . 2 . . . A 117 SER HB2 . 19876 1 1418 . 1 1 128 128 SER HB3 H 1 3.719 0.020 . 2 . . . A 117 SER HB3 . 19876 1 1419 . 1 1 128 128 SER C C 13 174.795 0.3 . 1 . . . A 117 SER C . 19876 1 1420 . 1 1 128 128 SER CA C 13 60.437 0.3 . 1 . . . A 117 SER CA . 19876 1 1421 . 1 1 128 128 SER CB C 13 62.987 0.3 . 1 . . . A 117 SER CB . 19876 1 1422 . 1 1 128 128 SER N N 15 117.142 0.3 . 1 . . . A 117 SER N . 19876 1 1423 . 1 1 129 129 THR H H 1 7.872 0.020 . 1 . . . A 118 THR H . 19876 1 1424 . 1 1 129 129 THR HA H 1 3.987 0.020 . 1 . . . A 118 THR HA . 19876 1 1425 . 1 1 129 129 THR HB H 1 4.129 0.020 . 1 . . . A 118 THR HB . 19876 1 1426 . 1 1 129 129 THR HG21 H 1 1.073 0.020 . 1 . . . A 118 THR HG21 . 19876 1 1427 . 1 1 129 129 THR HG22 H 1 1.073 0.020 . 1 . . . A 118 THR HG22 . 19876 1 1428 . 1 1 129 129 THR HG23 H 1 1.073 0.020 . 1 . . . A 118 THR HG23 . 19876 1 1429 . 1 1 129 129 THR C C 13 174.025 0.3 . 1 . . . A 118 THR C . 19876 1 1430 . 1 1 129 129 THR CA C 13 64.026 0.3 . 1 . . . A 118 THR CA . 19876 1 1431 . 1 1 129 129 THR CB C 13 68.953 0.3 . 1 . . . A 118 THR CB . 19876 1 1432 . 1 1 129 129 THR CG2 C 13 21.656 0.3 . 1 . . . A 118 THR CG2 . 19876 1 1433 . 1 1 129 129 THR N N 15 115.779 0.3 . 1 . . . A 118 THR N . 19876 1 1434 . 1 1 130 130 LEU H H 1 7.679 0.020 . 1 . . . A 119 LEU H . 19876 1 1435 . 1 1 130 130 LEU HA H 1 4.048 0.020 . 1 . . . A 119 LEU HA . 19876 1 1436 . 1 1 130 130 LEU HB2 H 1 1.496 0.020 . 2 . . . A 119 LEU HB2 . 19876 1 1437 . 1 1 130 130 LEU HB3 H 1 1.424 0.020 . 2 . . . A 119 LEU HB3 . 19876 1 1438 . 1 1 130 130 LEU HG H 1 1.444 0.020 . 1 . . . A 119 LEU HG . 19876 1 1439 . 1 1 130 130 LEU HD11 H 1 0.681 0.020 . 1 . . . A 119 LEU HD11 . 19876 1 1440 . 1 1 130 130 LEU HD12 H 1 0.681 0.020 . 1 . . . A 119 LEU HD12 . 19876 1 1441 . 1 1 130 130 LEU HD13 H 1 0.681 0.020 . 1 . . . A 119 LEU HD13 . 19876 1 1442 . 1 1 130 130 LEU HD21 H 1 0.635 0.020 . 1 . . . A 119 LEU HD21 . 19876 1 1443 . 1 1 130 130 LEU HD22 H 1 0.635 0.020 . 1 . . . A 119 LEU HD22 . 19876 1 1444 . 1 1 130 130 LEU HD23 H 1 0.635 0.020 . 1 . . . A 119 LEU HD23 . 19876 1 1445 . 1 1 130 130 LEU C C 13 176.246 0.3 . 1 . . . A 119 LEU C . 19876 1 1446 . 1 1 130 130 LEU CA C 13 56.081 0.3 . 1 . . . A 119 LEU CA . 19876 1 1447 . 1 1 130 130 LEU CB C 13 42.205 0.3 . 1 . . . A 119 LEU CB . 19876 1 1448 . 1 1 130 130 LEU CG C 13 26.754 0.3 . 1 . . . A 119 LEU CG . 19876 1 1449 . 1 1 130 130 LEU CD1 C 13 24.975 0.3 . 1 . . . A 119 LEU CD1 . 19876 1 1450 . 1 1 130 130 LEU CD2 C 13 23.939 0.3 . 1 . . . A 119 LEU CD2 . 19876 1 1451 . 1 1 130 130 LEU N N 15 122.845 0.3 . 1 . . . A 119 LEU N . 19876 1 1452 . 1 1 131 131 MET H H 1 7.812 0.020 . 1 . . . A 120 MET H . 19876 1 1453 . 1 1 131 131 MET HA H 1 4.243 0.020 . 1 . . . A 120 MET HA . 19876 1 1454 . 1 1 131 131 MET HB2 H 1 1.962 0.020 . 2 . . . A 120 MET HB2 . 19876 1 1455 . 1 1 131 131 MET HB3 H 1 1.898 0.020 . 2 . . . A 120 MET HB3 . 19876 1 1456 . 1 1 131 131 MET HG2 H 1 2.500 0.020 . 2 . . . A 120 MET HG2 . 19876 1 1457 . 1 1 131 131 MET HG3 H 1 2.407 0.020 . 2 . . . A 120 MET HG3 . 19876 1 1458 . 1 1 131 131 MET HE1 H 1 1.914 0.020 . 1 . . . A 120 MET HE1 . 19876 1 1459 . 1 1 131 131 MET HE2 H 1 1.914 0.020 . 1 . . . A 120 MET HE2 . 19876 1 1460 . 1 1 131 131 MET HE3 H 1 1.914 0.020 . 1 . . . A 120 MET HE3 . 19876 1 1461 . 1 1 131 131 MET C C 13 174.594 0.3 . 1 . . . A 120 MET C . 19876 1 1462 . 1 1 131 131 MET CA C 13 55.470 0.3 . 1 . . . A 120 MET CA . 19876 1 1463 . 1 1 131 131 MET CB C 13 32.606 0.3 . 1 . . . A 120 MET CB . 19876 1 1464 . 1 1 131 131 MET CG C 13 32.162 0.3 . 1 . . . A 120 MET CG . 19876 1 1465 . 1 1 131 131 MET CE C 13 16.961 0.3 . 1 . . . A 120 MET CE . 19876 1 1466 . 1 1 131 131 MET N N 15 117.447 0.3 . 1 . . . A 120 MET N . 19876 1 1467 . 1 1 132 132 LYS H H 1 7.790 0.020 . 1 . . . A 121 LYS H . 19876 1 1468 . 1 1 132 132 LYS HA H 1 4.235 0.020 . 1 . . . A 121 LYS HA . 19876 1 1469 . 1 1 132 132 LYS HB2 H 1 1.769 0.020 . 2 . . . A 121 LYS HB2 . 19876 1 1470 . 1 1 132 132 LYS HB3 H 1 1.674 0.020 . 2 . . . A 121 LYS HB3 . 19876 1 1471 . 1 1 132 132 LYS HG2 H 1 1.352 0.020 . 2 . . . A 121 LYS HG2 . 19876 1 1472 . 1 1 132 132 LYS HG3 H 1 1.306 0.020 . 2 . . . A 121 LYS HG3 . 19876 1 1473 . 1 1 132 132 LYS HD2 H 1 1.540 0.020 . 1 . . . A 121 LYS HD2 . 19876 1 1474 . 1 1 132 132 LYS HD3 H 1 1.540 0.020 . 1 . . . A 121 LYS HD3 . 19876 1 1475 . 1 1 132 132 LYS HE2 H 1 2.849 0.020 . 1 . . . A 121 LYS HE2 . 19876 1 1476 . 1 1 132 132 LYS HE3 H 1 2.849 0.020 . 1 . . . A 121 LYS HE3 . 19876 1 1477 . 1 1 132 132 LYS C C 13 174.539 0.3 . 1 . . . A 121 LYS C . 19876 1 1478 . 1 1 132 132 LYS CA C 13 56.481 0.3 . 1 . . . A 121 LYS CA . 19876 1 1479 . 1 1 132 132 LYS CB C 13 32.966 0.3 . 1 . . . A 121 LYS CB . 19876 1 1480 . 1 1 132 132 LYS CG C 13 24.658 0.3 . 1 . . . A 121 LYS CG . 19876 1 1481 . 1 1 132 132 LYS CD C 13 28.971 0.3 . 1 . . . A 121 LYS CD . 19876 1 1482 . 1 1 132 132 LYS CE C 13 41.857 0.3 . 1 . . . A 121 LYS CE . 19876 1 1483 . 1 1 132 132 LYS N N 15 121.578 0.3 . 1 . . . A 121 LYS N . 19876 1 1484 . 1 1 133 133 THR H H 1 7.619 0.020 . 1 . . . A 122 THR H . 19876 1 1485 . 1 1 133 133 THR HA H 1 4.008 0.020 . 1 . . . A 122 THR HA . 19876 1 1486 . 1 1 133 133 THR HB H 1 4.107 0.020 . 1 . . . A 122 THR HB . 19876 1 1487 . 1 1 133 133 THR HG21 H 1 1.035 0.020 . 1 . . . A 122 THR HG21 . 19876 1 1488 . 1 1 133 133 THR HG22 H 1 1.035 0.020 . 1 . . . A 122 THR HG22 . 19876 1 1489 . 1 1 133 133 THR HG23 H 1 1.035 0.020 . 1 . . . A 122 THR HG23 . 19876 1 1490 . 1 1 133 133 THR C C 13 177.878 0.3 . 1 . . . A 122 THR C . 19876 1 1491 . 1 1 133 133 THR CA C 13 63.269 0.3 . 1 . . . A 122 THR CA . 19876 1 1492 . 1 1 133 133 THR CB C 13 70.651 0.3 . 1 . . . A 122 THR CB . 19876 1 1493 . 1 1 133 133 THR CG2 C 13 21.957 0.3 . 1 . . . A 122 THR CG2 . 19876 1 1494 . 1 1 133 133 THR N N 15 120.497 0.3 . 1 . . . A 122 THR N . 19876 1 stop_ save_