data_17665 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17665 _Entry.Title ; human alpha synuclein construct ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-25 _Entry.Accession_date 2011-05-25 _Entry.Last_release_date 2011-05-25 _Entry.Original_release_date 2011-05-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Soluble synuclein oligomers' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Thomas Pochapsky . . . . 17665 2 Iva Perovic . . . . 17665 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17665 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 17665 '15N chemical shifts' 134 17665 '1H chemical shifts' 660 17665 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 3 . . 2022-03-30 2011-05-25 update BMRB 'update Polymer_type' 17665 2 . . 2011-10-28 2011-05-25 update author 'update entry citation' 17665 1 . . 2011-10-19 2011-05-25 original author 'original release' 17665 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17665 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 22006323 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A soluble -synuclein construct forms a dynamic tetramer. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 43 _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 17797 _Citation.Page_last 17802 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wei Wang . . . . 17665 1 2 Iva Perovic . . . . 17665 1 3 Johnathan Chittuluru . . . . 17665 1 4 Alice Kaganovich . . . . 17665 1 5 Linh Nguyen . T.T. . . 17665 1 6 Jingling Liao . . . . 17665 1 7 Jared Auclair . R. . . 17665 1 8 Derrick Johnson . . . . 17665 1 9 Anuradha Landeru . . . . 17665 1 10 Alana Simorellis . K. . . 17665 1 11 Shulin Ju . . . . 17665 1 12 Mark Cookson . R. . . 17665 1 13 Francisco Asturias . J. . . 17665 1 14 Jeffrey Agar . N. . . 17665 1 15 Brian Webb . N. . . 17665 1 16 Chulhee Kang . . . . 17665 1 17 Dagmar Ringe . . . . 17665 1 18 Gregory Petsko . A. . . 17665 1 19 Thomas Pochapsky . C. . . 17665 1 20 Quyen Hoang . Q. . . 17665 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dynamic 17665 1 oligomer 17665 1 soluble 17665 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17665 _Assembly.ID 1 _Assembly.Name 'synuclein tetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 68000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Dynamic oligomer, primarily tetramer by size-exclusion chromatography.' _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 'alpha synuclein, chain 1' 1 $aSyn A . yes native no no . . . 17665 1 2 'alpha synuclein, chain 2' 1 $aSyn B . yes native no no . . . 17665 1 3 'alpha synuclein, chain 3' 1 $aSyn C . yes native no no . . . 17665 1 4 'alpha synuclein, chain 4' 1 $aSyn D . yes native no no . . . 17665 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aSyn _Entity.Sf_category entity _Entity.Sf_framecode aSyn _Entity.Entry_ID 17665 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aSyn _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEFPGMDVFMKGLSK AKEGVVAAAEKTKQGVAEAA GKTKEGVLYVGSKTKEGVVH GVATVAEKTKEQVTNVGGAV VTGVTAVAQKTVEGAGSIAA ATGFVKKDQLGKNEEGAPQE GILEDMPVDPDNEAYEMPSE EGYQDYEPEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GLY . 17665 1 2 -9 PRO . 17665 1 3 -8 LEU . 17665 1 4 -7 GLY . 17665 1 5 -6 SER . 17665 1 6 -5 PRO . 17665 1 7 -4 GLU . 17665 1 8 -3 PHE . 17665 1 9 -2 PRO . 17665 1 10 -1 GLY . 17665 1 11 1 MET . 17665 1 12 2 ASP . 17665 1 13 3 VAL . 17665 1 14 4 PHE . 17665 1 15 5 MET . 17665 1 16 6 LYS . 17665 1 17 7 GLY . 17665 1 18 8 LEU . 17665 1 19 9 SER . 17665 1 20 10 LYS . 17665 1 21 11 ALA . 17665 1 22 12 LYS . 17665 1 23 13 GLU . 17665 1 24 14 GLY . 17665 1 25 15 VAL . 17665 1 26 16 VAL . 17665 1 27 17 ALA . 17665 1 28 18 ALA . 17665 1 29 19 ALA . 17665 1 30 20 GLU . 17665 1 31 21 LYS . 17665 1 32 22 THR . 17665 1 33 23 LYS . 17665 1 34 24 GLN . 17665 1 35 25 GLY . 17665 1 36 26 VAL . 17665 1 37 27 ALA . 17665 1 38 28 GLU . 17665 1 39 29 ALA . 17665 1 40 30 ALA . 17665 1 41 31 GLY . 17665 1 42 32 LYS . 17665 1 43 33 THR . 17665 1 44 34 LYS . 17665 1 45 35 GLU . 17665 1 46 36 GLY . 17665 1 47 37 VAL . 17665 1 48 38 LEU . 17665 1 49 39 TYR . 17665 1 50 40 VAL . 17665 1 51 41 GLY . 17665 1 52 42 SER . 17665 1 53 43 LYS . 17665 1 54 44 THR . 17665 1 55 45 LYS . 17665 1 56 46 GLU . 17665 1 57 47 GLY . 17665 1 58 48 VAL . 17665 1 59 49 VAL . 17665 1 60 50 HIS . 17665 1 61 51 GLY . 17665 1 62 52 VAL . 17665 1 63 53 ALA . 17665 1 64 54 THR . 17665 1 65 55 VAL . 17665 1 66 56 ALA . 17665 1 67 57 GLU . 17665 1 68 58 LYS . 17665 1 69 59 THR . 17665 1 70 60 LYS . 17665 1 71 61 GLU . 17665 1 72 62 GLN . 17665 1 73 63 VAL . 17665 1 74 64 THR . 17665 1 75 65 ASN . 17665 1 76 66 VAL . 17665 1 77 67 GLY . 17665 1 78 68 GLY . 17665 1 79 69 ALA . 17665 1 80 70 VAL . 17665 1 81 71 VAL . 17665 1 82 72 THR . 17665 1 83 73 GLY . 17665 1 84 74 VAL . 17665 1 85 75 THR . 17665 1 86 76 ALA . 17665 1 87 77 VAL . 17665 1 88 78 ALA . 17665 1 89 79 GLN . 17665 1 90 80 LYS . 17665 1 91 81 THR . 17665 1 92 82 VAL . 17665 1 93 83 GLU . 17665 1 94 84 GLY . 17665 1 95 85 ALA . 17665 1 96 86 GLY . 17665 1 97 87 SER . 17665 1 98 88 ILE . 17665 1 99 89 ALA . 17665 1 100 90 ALA . 17665 1 101 91 ALA . 17665 1 102 92 THR . 17665 1 103 93 GLY . 17665 1 104 94 PHE . 17665 1 105 95 VAL . 17665 1 106 96 LYS . 17665 1 107 97 LYS . 17665 1 108 98 ASP . 17665 1 109 99 GLN . 17665 1 110 100 LEU . 17665 1 111 101 GLY . 17665 1 112 102 LYS . 17665 1 113 103 ASN . 17665 1 114 104 GLU . 17665 1 115 105 GLU . 17665 1 116 106 GLY . 17665 1 117 107 ALA . 17665 1 118 108 PRO . 17665 1 119 109 GLN . 17665 1 120 110 GLU . 17665 1 121 111 GLY . 17665 1 122 112 ILE . 17665 1 123 113 LEU . 17665 1 124 114 GLU . 17665 1 125 115 ASP . 17665 1 126 116 MET . 17665 1 127 117 PRO . 17665 1 128 118 VAL . 17665 1 129 119 ASP . 17665 1 130 120 PRO . 17665 1 131 121 ASP . 17665 1 132 122 ASN . 17665 1 133 123 GLU . 17665 1 134 124 ALA . 17665 1 135 125 TYR . 17665 1 136 126 GLU . 17665 1 137 127 MET . 17665 1 138 128 PRO . 17665 1 139 129 SER . 17665 1 140 130 GLU . 17665 1 141 131 GLU . 17665 1 142 132 GLY . 17665 1 143 133 TYR . 17665 1 144 134 GLN . 17665 1 145 135 ASP . 17665 1 146 136 TYR . 17665 1 147 137 GLU . 17665 1 148 138 PRO . 17665 1 149 139 GLU . 17665 1 150 140 ALA . 17665 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17665 1 . PRO 2 2 17665 1 . LEU 3 3 17665 1 . GLY 4 4 17665 1 . SER 5 5 17665 1 . PRO 6 6 17665 1 . GLU 7 7 17665 1 . PHE 8 8 17665 1 . PRO 9 9 17665 1 . GLY 10 10 17665 1 . MET 11 11 17665 1 . ASP 12 12 17665 1 . VAL 13 13 17665 1 . PHE 14 14 17665 1 . MET 15 15 17665 1 . LYS 16 16 17665 1 . GLY 17 17 17665 1 . LEU 18 18 17665 1 . SER 19 19 17665 1 . LYS 20 20 17665 1 . ALA 21 21 17665 1 . LYS 22 22 17665 1 . GLU 23 23 17665 1 . GLY 24 24 17665 1 . VAL 25 25 17665 1 . VAL 26 26 17665 1 . ALA 27 27 17665 1 . ALA 28 28 17665 1 . ALA 29 29 17665 1 . GLU 30 30 17665 1 . LYS 31 31 17665 1 . THR 32 32 17665 1 . LYS 33 33 17665 1 . GLN 34 34 17665 1 . GLY 35 35 17665 1 . VAL 36 36 17665 1 . ALA 37 37 17665 1 . GLU 38 38 17665 1 . ALA 39 39 17665 1 . ALA 40 40 17665 1 . GLY 41 41 17665 1 . LYS 42 42 17665 1 . THR 43 43 17665 1 . LYS 44 44 17665 1 . GLU 45 45 17665 1 . GLY 46 46 17665 1 . VAL 47 47 17665 1 . LEU 48 48 17665 1 . TYR 49 49 17665 1 . VAL 50 50 17665 1 . GLY 51 51 17665 1 . SER 52 52 17665 1 . LYS 53 53 17665 1 . THR 54 54 17665 1 . LYS 55 55 17665 1 . GLU 56 56 17665 1 . GLY 57 57 17665 1 . VAL 58 58 17665 1 . VAL 59 59 17665 1 . HIS 60 60 17665 1 . GLY 61 61 17665 1 . VAL 62 62 17665 1 . ALA 63 63 17665 1 . THR 64 64 17665 1 . VAL 65 65 17665 1 . ALA 66 66 17665 1 . GLU 67 67 17665 1 . LYS 68 68 17665 1 . THR 69 69 17665 1 . LYS 70 70 17665 1 . GLU 71 71 17665 1 . GLN 72 72 17665 1 . VAL 73 73 17665 1 . THR 74 74 17665 1 . ASN 75 75 17665 1 . VAL 76 76 17665 1 . GLY 77 77 17665 1 . GLY 78 78 17665 1 . ALA 79 79 17665 1 . VAL 80 80 17665 1 . VAL 81 81 17665 1 . THR 82 82 17665 1 . GLY 83 83 17665 1 . VAL 84 84 17665 1 . THR 85 85 17665 1 . ALA 86 86 17665 1 . VAL 87 87 17665 1 . ALA 88 88 17665 1 . GLN 89 89 17665 1 . LYS 90 90 17665 1 . THR 91 91 17665 1 . VAL 92 92 17665 1 . GLU 93 93 17665 1 . GLY 94 94 17665 1 . ALA 95 95 17665 1 . GLY 96 96 17665 1 . SER 97 97 17665 1 . ILE 98 98 17665 1 . ALA 99 99 17665 1 . ALA 100 100 17665 1 . ALA 101 101 17665 1 . THR 102 102 17665 1 . GLY 103 103 17665 1 . PHE 104 104 17665 1 . VAL 105 105 17665 1 . LYS 106 106 17665 1 . LYS 107 107 17665 1 . ASP 108 108 17665 1 . GLN 109 109 17665 1 . LEU 110 110 17665 1 . GLY 111 111 17665 1 . LYS 112 112 17665 1 . ASN 113 113 17665 1 . GLU 114 114 17665 1 . GLU 115 115 17665 1 . GLY 116 116 17665 1 . ALA 117 117 17665 1 . PRO 118 118 17665 1 . GLN 119 119 17665 1 . GLU 120 120 17665 1 . GLY 121 121 17665 1 . ILE 122 122 17665 1 . LEU 123 123 17665 1 . GLU 124 124 17665 1 . ASP 125 125 17665 1 . MET 126 126 17665 1 . PRO 127 127 17665 1 . VAL 128 128 17665 1 . ASP 129 129 17665 1 . PRO 130 130 17665 1 . ASP 131 131 17665 1 . ASN 132 132 17665 1 . GLU 133 133 17665 1 . ALA 134 134 17665 1 . TYR 135 135 17665 1 . GLU 136 136 17665 1 . MET 137 137 17665 1 . PRO 138 138 17665 1 . SER 139 139 17665 1 . GLU 140 140 17665 1 . GLU 141 141 17665 1 . GLY 142 142 17665 1 . TYR 143 143 17665 1 . GLN 144 144 17665 1 . ASP 145 145 17665 1 . TYR 146 146 17665 1 . GLU 147 147 17665 1 . PRO 148 148 17665 1 . GLU 149 149 17665 1 . ALA 150 150 17665 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 17665 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $aSyn . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 17665 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 17665 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $aSyn . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 Rosetta . . . . N/A . . 'Rosetta strain is optimized for expression of human proteins. Protein expressed as a GST fusion.' 17665 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17665 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM (monomer) U-15N,13C labeled aSyn in 100 mM HEPES, pH 7.4, 150 mM NaCl, 10% glycerol, 0.1% n-octyl-beta-glucopyranoside (BOG) (BOG conc much less than CMC) ; _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 aSyn '[U-99% 13C; U-99% 15N]' . . 1 $aSyn . . 0.5 . . mM . . . . 17665 1 2 HEPES 'natural abundance' . . . . . . 100 . . mM . . . . 17665 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17665 1 4 Glycerol 'natural abundance' . . . . . . 10 . . % . . . . 17665 1 5 'n-octyl-beta-glucopyranoside (BOG)' 'natural abundance' . . . . . . 0.1 . . % . . . . 17665 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17665 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17665 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17665 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM (monomer) in 100 mM HEPES, pH 7.4, 150 mM NaCl, 10% glycerol, 0.1% n-octyl-beta-glucopyranoside (BOG) (BOG conc much less than CMC) ; _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 aSyn '[U-99% 15N]' . . 1 $aSyn . . 0.5 . . mM . . . . 17665 2 2 HEPES 'natural abundance' . . . . . . 100 . . mM . . . . 17665 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17665 2 4 Glycerol 'natural abundance' . . . . . . 10 . . % . . . . 17665 2 5 'n-octyl-beta-glucopyranoside BOG' 'natural abundance' . . . . . . 0.1 . . % . . . . 17665 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17665 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17665 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17665 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 17665 1 pH 7.4 . pH 17665 1 pressure 1 . atm 17665 1 temperature 298 . K 17665 1 stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 17665 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17665 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 17665 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17665 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17665 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 17665 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17665 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17665 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 cryoprobe . . 17665 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 17665 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17665 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17665 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17665 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17665 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17665 1 6 '15N-filtered 2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17665 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 17665 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; All shifts referenced to water frequency, using DSS standard for carbon and proton shifts, and 15N shifts referenced to anhydrous liquid ammonia ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . 17665 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 17665 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external direct 1 . . . . . 17665 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 17665 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 17665 1 2 '3D 1H-15N NOESY' . . . 17665 1 3 '3D 1H-15N TOCSY' . . . 17665 1 4 '3D HNCA' . . . 17665 1 5 '3D HNCACB' . . . 17665 1 6 '15N-filtered 2D 1H-1H TOCSY' . . . 17665 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 11 11 MET H H 1 8.006 0.03 . 1 . . . . . 1 MET H . 17665 1 2 . 1 . 1 11 11 MET HG2 H 1 2.401 0.03 . 2 . . . . . 1 MET HG2 . 17665 1 3 . 1 . 1 11 11 MET HG3 H 1 2.489 0.03 . 2 . . . . . 1 MET HG3 . 17665 1 4 . 1 . 1 11 11 MET CA C 13 57.38 0.12 . 1 . . . . . 1 MET CA . 17665 1 5 . 1 . 1 12 12 ASP H H 1 8.288 0.03 . 1 . . . . . 2 ASP H . 17665 1 6 . 1 . 1 12 12 ASP HA H 1 4.419 0.03 . 1 . . . . . 2 ASP HA . 17665 1 7 . 1 . 1 12 12 ASP HB2 H 1 2.535 0.03 . 2 . . . . . 2 ASP HB2 . 17665 1 8 . 1 . 1 12 12 ASP HB3 H 1 2.504 0.03 . 2 . . . . . 2 ASP HB3 . 17665 1 9 . 1 . 1 12 12 ASP CA C 13 57.64 0.12 . 1 . . . . . 2 ASP CA . 17665 1 10 . 1 . 1 12 12 ASP CB C 13 45.70 0.12 . 1 . . . . . 2 ASP CB . 17665 1 11 . 1 . 1 12 12 ASP N N 15 121.6 0.15 . 1 . . . . . 2 ASP N . 17665 1 12 . 1 . 1 13 13 VAL H H 1 7.763 0.03 . 1 . . . . . 3 VAL H . 17665 1 13 . 1 . 1 13 13 VAL HA H 1 3.946 0.03 . 1 . . . . . 3 VAL HA . 17665 1 14 . 1 . 1 13 13 VAL HB H 1 1.858 0.03 . 1 . . . . . 3 VAL HB . 17665 1 15 . 1 . 1 13 13 VAL HG11 H 1 0.683 0.03 . 2 . . . . . 3 VAL MG1 . 17665 1 16 . 1 . 1 13 13 VAL HG12 H 1 0.683 0.03 . 2 . . . . . 3 VAL MG1 . 17665 1 17 . 1 . 1 13 13 VAL HG13 H 1 0.683 0.03 . 2 . . . . . 3 VAL MG1 . 17665 1 18 . 1 . 1 13 13 VAL CA C 13 63.72 0.12 . 1 . . . . . 3 VAL CA . 17665 1 19 . 1 . 1 13 13 VAL CB C 13 31.23 0.12 . 1 . . . . . 3 VAL CB . 17665 1 20 . 1 . 1 13 13 VAL N N 15 119.4 0.15 . 1 . . . . . 3 VAL N . 17665 1 21 . 1 . 1 14 14 PHE H H 1 7.942 0.03 . 1 . . . . . 4 PHE H . 17665 1 22 . 1 . 1 14 14 PHE HA H 1 4.421 0.03 . 1 . . . . . 4 PHE HA . 17665 1 23 . 1 . 1 14 14 PHE HB2 H 1 3.040 0.03 . 2 . . . . . 4 PHE HB2 . 17665 1 24 . 1 . 1 14 14 PHE HB3 H 1 2.939 0.03 . 2 . . . . . 4 PHE HB3 . 17665 1 25 . 1 . 1 14 14 PHE CA C 13 61.24 0.12 . 1 . . . . . 4 PHE CA . 17665 1 26 . 1 . 1 14 14 PHE CB C 13 41.49 0.12 . 1 . . . . . 4 PHE CB . 17665 1 27 . 1 . 1 14 14 PHE N N 15 121.6 0.15 . 1 . . . . . 4 PHE N . 17665 1 28 . 1 . 1 15 15 MET H H 1 7.938 0.03 . 1 . . . . . 5 MET H . 17665 1 29 . 1 . 1 15 15 MET HA H 1 4.312 0.03 . 1 . . . . . 5 MET HA . 17665 1 30 . 1 . 1 15 15 MET HB2 H 1 1.908 0.03 . 2 . . . . . 5 MET HB2 . 17665 1 31 . 1 . 1 15 15 MET HB3 H 1 1.862 0.03 . 2 . . . . . 5 MET HB3 . 17665 1 32 . 1 . 1 15 15 MET HG2 H 1 2.447 0.03 . 2 . . . . . 5 MET HG2 . 17665 1 33 . 1 . 1 15 15 MET HG3 H 1 2.392 0.03 . 2 . . . . . 5 MET HG3 . 17665 1 34 . 1 . 1 15 15 MET CA C 13 59.88 0.12 . 1 . . . . . 5 MET CA . 17665 1 35 . 1 . 1 15 15 MET CB C 13 35.30 0.12 . 1 . . . . . 5 MET CB . 17665 1 36 . 1 . 1 15 15 MET N N 15 121.1 0.15 . 1 . . . . . 5 MET N . 17665 1 37 . 1 . 1 16 16 LYS H H 1 8.257 0.03 . 1 . . . . . 6 LYS H . 17665 1 38 . 1 . 1 16 16 LYS HA H 1 4.168 0.03 . 1 . . . . . 6 LYS HA . 17665 1 39 . 1 . 1 16 16 LYS HB2 H 1 2.447 0.03 . 2 . . . . . 6 LYS HB2 . 17665 1 40 . 1 . 1 16 16 LYS HB3 H 1 2.392 0.03 . 2 . . . . . 6 LYS HB3 . 17665 1 41 . 1 . 1 16 16 LYS HD2 H 1 1.532 0.03 . 2 . . . . . 6 LYS HD2 . 17665 1 42 . 1 . 1 16 16 LYS CA C 13 59.43 0.12 . 1 . . . . . 6 LYS CA . 17665 1 43 . 1 . 1 16 16 LYS CB C 13 32.83 0.12 . 1 . . . . . 6 LYS CB . 17665 1 44 . 1 . 1 16 16 LYS N N 15 122.1 0.15 . 1 . . . . . 6 LYS N . 17665 1 45 . 1 . 1 17 17 GLY H H 1 8.203 0.03 . 1 . . . . . 7 GLY H . 17665 1 46 . 1 . 1 17 17 GLY HA2 H 1 3.827 0.03 . 2 . . . . . 7 GLY HA2 . 17665 1 47 . 1 . 1 17 17 GLY CA C 13 48.24 0.12 . 1 . . . . . 7 GLY CA . 17665 1 48 . 1 . 1 17 17 GLY N N 15 109.9 0.15 . 1 . . . . . 7 GLY N . 17665 1 49 . 1 . 1 18 18 LEU H H 1 7.753 0.03 . 1 . . . . . 8 LEU H . 17665 1 50 . 1 . 1 18 18 LEU HA H 1 4.187 0.03 . 1 . . . . . 8 LEU HA . 17665 1 51 . 1 . 1 18 18 LEU HB2 H 1 1.504 0.03 . 2 . . . . . 8 LEU HB2 . 17665 1 52 . 1 . 1 18 18 LEU HB3 H 1 1.454 0.03 . 2 . . . . . 8 LEU HB3 . 17665 1 53 . 1 . 1 18 18 LEU HG H 1 1.020 0.03 . 1 . . . . . 8 LEU HG . 17665 1 54 . 1 . 1 18 18 LEU HD11 H 1 0.744 0.03 . 2 . . . . . 8 LEU MD1 . 17665 1 55 . 1 . 1 18 18 LEU HD12 H 1 0.744 0.03 . 2 . . . . . 8 LEU MD1 . 17665 1 56 . 1 . 1 18 18 LEU HD13 H 1 0.744 0.03 . 2 . . . . . 8 LEU MD1 . 17665 1 57 . 1 . 1 18 18 LEU HD21 H 1 0.703 0.03 . 2 . . . . . 8 LEU MD2 . 17665 1 58 . 1 . 1 18 18 LEU HD22 H 1 0.703 0.03 . 2 . . . . . 8 LEU MD2 . 17665 1 59 . 1 . 1 18 18 LEU HD23 H 1 0.703 0.03 . 2 . . . . . 8 LEU MD2 . 17665 1 60 . 1 . 1 18 18 LEU CA C 13 58.61 0.12 . 1 . . . . . 8 LEU CA . 17665 1 61 . 1 . 1 18 18 LEU CB C 13 45.79 0.12 . 1 . . . . . 8 LEU CB . 17665 1 62 . 1 . 1 18 18 LEU N N 15 121.1 0.15 . 1 . . . . . 8 LEU N . 17665 1 63 . 1 . 1 19 19 SER H H 1 8.035 0.03 . 1 . . . . . 9 SER H . 17665 1 64 . 1 . 1 19 19 SER HA H 1 4.178 0.03 . 1 . . . . . 9 SER HA . 17665 1 65 . 1 . 1 19 19 SER HB2 H 1 3.689 0.03 . 2 . . . . . 9 SER HB2 . 17665 1 66 . 1 . 1 19 19 SER HB3 H 1 3.614 0.03 . 2 . . . . . 9 SER HB3 . 17665 1 67 . 1 . 1 19 19 SER CA C 13 61.30 0.12 . 1 . . . . . 9 SER CA . 17665 1 68 . 1 . 1 19 19 SER CB C 13 62.75 0.12 . 1 . . . . . 9 SER CB . 17665 1 69 . 1 . 1 19 19 SER N N 15 116.1 0.15 . 1 . . . . . 9 SER N . 17665 1 70 . 1 . 1 20 20 LYS H H 1 8.062 0.03 . 1 . . . . . 10 LYS H . 17665 1 71 . 1 . 1 20 20 LYS HA H 1 4.126 0.03 . 1 . . . . . 10 LYS HA . 17665 1 72 . 1 . 1 20 20 LYS HB2 H 1 1.952 0.03 . 2 . . . . . 10 LYS HB2 . 17665 1 73 . 1 . 1 20 20 LYS HB3 H 1 1.952 0.03 . 2 . . . . . 10 LYS HB3 . 17665 1 74 . 1 . 1 20 20 LYS HG2 H 1 1.700 0.03 . 2 . . . . . 10 LYS HG2 . 17665 1 75 . 1 . 1 20 20 LYS HG3 H 1 1.620 0.03 . 2 . . . . . 10 LYS HG3 . 17665 1 76 . 1 . 1 20 20 LYS CA C 13 59.24 0.03 . 1 . . . . . 10 LYS CA . 17665 1 77 . 1 . 1 20 20 LYS CB C 13 32.80 0.12 . 1 . . . . . 10 LYS CB . 17665 1 78 . 1 . 1 20 20 LYS N N 15 124.5 0.15 . 1 . . . . . 10 LYS N . 17665 1 79 . 1 . 1 21 21 ALA H H 1 8.037 0.03 . 1 . . . . . 11 ALA H . 17665 1 80 . 1 . 1 21 21 ALA HA H 1 4.240 0.03 . 1 . . . . . 11 ALA HA . 17665 1 81 . 1 . 1 21 21 ALA HB1 H 1 1.248 0.03 . 1 . . . . . 11 ALA MB . 17665 1 82 . 1 . 1 21 21 ALA HB2 H 1 1.248 0.03 . 1 . . . . . 11 ALA MB . 17665 1 83 . 1 . 1 21 21 ALA HB3 H 1 1.248 0.03 . 1 . . . . . 11 ALA MB . 17665 1 84 . 1 . 1 21 21 ALA CA C 13 55.44 0.12 . 1 . . . . . 11 ALA CA . 17665 1 85 . 1 . 1 21 21 ALA N N 15 124.4 0.15 . 1 . . . . . 11 ALA N . 17665 1 86 . 1 . 1 22 22 LYS H H 1 8.066 0.03 . 1 . . . . . 12 LYS H . 17665 1 87 . 1 . 1 22 22 LYS HA H 1 4.073 0.03 . 1 . . . . . 12 LYS HA . 17665 1 88 . 1 . 1 22 22 LYS HB2 H 1 1.919 0.03 . 2 . . . . . 12 LYS HB2 . 17665 1 89 . 1 . 1 22 22 LYS HG2 H 1 1.708 0.03 . 2 . . . . . 12 LYS HG2 . 17665 1 90 . 1 . 1 22 22 LYS HG3 H 1 1.651 0.03 . 2 . . . . . 12 LYS HG3 . 17665 1 91 . 1 . 1 22 22 LYS CA C 13 59.21 0.12 . 1 . . . . . 12 LYS CA . 17665 1 92 . 1 . 1 22 22 LYS CB C 13 32.22 0.12 . 1 . . . . . 12 LYS CB . 17665 1 93 . 1 . 1 22 22 LYS N N 15 120.3 0.15 . 1 . . . . . 12 LYS N . 17665 1 94 . 1 . 1 23 23 GLU H H 1 8.098 0.03 . 1 . . . . . 13 GLU H . 17665 1 95 . 1 . 1 23 23 GLU HA H 1 4.076 0.03 . 1 . . . . . 13 GLU HA . 17665 1 96 . 1 . 1 23 23 GLU CA C 13 59.55 0.12 . 1 . . . . . 13 GLU CA . 17665 1 97 . 1 . 1 23 23 GLU CB C 13 32.40 0.12 . 1 . . . . . 13 GLU CB . 17665 1 98 . 1 . 1 23 23 GLU N N 15 120.3 0.15 . 1 . . . . . 13 GLU N . 17665 1 99 . 1 . 1 24 24 GLY H H 1 8.265 0.03 . 1 . . . . . 14 GLY H . 17665 1 100 . 1 . 1 24 24 GLY HA2 H 1 3.829 0.03 . 2 . . . . . 14 GLY HA2 . 17665 1 101 . 1 . 1 24 24 GLY CA C 13 48.06 0.12 . 1 . . . . . 14 GLY CA . 17665 1 102 . 1 . 1 24 24 GLY N N 15 110.0 0.15 . 1 . . . . . 14 GLY N . 17665 1 103 . 1 . 1 25 25 VAL H H 1 7.753 0.03 . 1 . . . . . 15 VAL H . 17665 1 104 . 1 . 1 25 25 VAL HA H 1 3.982 0.03 . 1 . . . . . 15 VAL HA . 17665 1 105 . 1 . 1 25 25 VAL HB H 1 1.924 0.03 . 1 . . . . . 15 VAL HB . 17665 1 106 . 1 . 1 25 25 VAL CA C 13 65.34 0.12 . 1 . . . . . 15 VAL CA . 17665 1 107 . 1 . 1 25 25 VAL CB C 13 29.78 0.12 . 1 . . . . . 15 VAL CB . 17665 1 108 . 1 . 1 25 25 VAL N N 15 119.8 0.15 . 1 . . . . . 15 VAL N . 17665 1 109 . 1 . 1 26 26 VAL H H 1 7.807 0.03 . 1 . . . . . 16 VAL H . 17665 1 110 . 1 . 1 26 26 VAL HA H 1 4.007 0.03 . 1 . . . . . 16 VAL HA . 17665 1 111 . 1 . 1 26 26 VAL HB H 1 1.930 0.03 . 1 . . . . . 16 VAL HB . 17665 1 112 . 1 . 1 26 26 VAL HG11 H 1 0.796 0.03 . 2 . . . . . 16 VAL MG1 . 17665 1 113 . 1 . 1 26 26 VAL HG12 H 1 0.796 0.03 . 2 . . . . . 16 VAL MG1 . 17665 1 114 . 1 . 1 26 26 VAL HG13 H 1 0.796 0.03 . 2 . . . . . 16 VAL MG1 . 17665 1 115 . 1 . 1 26 26 VAL HG21 H 1 0.769 0.03 . 2 . . . . . 16 VAL MG2 . 17665 1 116 . 1 . 1 26 26 VAL HG22 H 1 0.769 0.03 . 2 . . . . . 16 VAL MG2 . 17665 1 117 . 1 . 1 26 26 VAL HG23 H 1 0.769 0.03 . 2 . . . . . 16 VAL MG2 . 17665 1 118 . 1 . 1 26 26 VAL CA C 13 65.27 0.12 . 1 . . . . . 16 VAL CA . 17665 1 119 . 1 . 1 26 26 VAL CB C 13 30.19 0.12 . 1 . . . . . 16 VAL CB . 17665 1 120 . 1 . 1 26 26 VAL N N 15 119.2 0.15 . 1 . . . . . 16 VAL N . 17665 1 121 . 1 . 1 27 27 ALA H H 1 8.194 0.03 . 1 . . . . . 17 ALA H . 17665 1 122 . 1 . 1 27 27 ALA HA H 1 4.416 0.03 . 1 . . . . . 17 ALA HA . 17665 1 123 . 1 . 1 27 27 ALA HB1 H 1 1.227 0.03 . 1 . . . . . 17 ALA MB . 17665 1 124 . 1 . 1 27 27 ALA HB2 H 1 1.227 0.03 . 1 . . . . . 17 ALA MB . 17665 1 125 . 1 . 1 27 27 ALA HB3 H 1 1.227 0.03 . 1 . . . . . 17 ALA MB . 17665 1 126 . 1 . 1 27 27 ALA CA C 13 55.52 0.12 . 1 . . . . . 17 ALA CA . 17665 1 127 . 1 . 1 27 27 ALA CB C 13 19.95 0.12 . 1 . . . . . 17 ALA CB . 17665 1 128 . 1 . 1 27 27 ALA N N 15 127.0 0.15 . 1 . . . . . 17 ALA N . 17665 1 129 . 1 . 1 28 28 ALA H H 1 8.033 0.03 . 1 . . . . . 18 ALA H . 17665 1 130 . 1 . 1 28 28 ALA HA H 1 4.399 0.03 . 1 . . . . . 18 ALA HA . 17665 1 131 . 1 . 1 28 28 ALA HB1 H 1 1.245 0.03 . 1 . . . . . 18 ALA MB . 17665 1 132 . 1 . 1 28 28 ALA HB2 H 1 1.245 0.03 . 1 . . . . . 18 ALA MB . 17665 1 133 . 1 . 1 28 28 ALA HB3 H 1 1.245 0.03 . 1 . . . . . 18 ALA MB . 17665 1 134 . 1 . 1 28 28 ALA CA C 13 55.48 0.12 . 1 . . . . . 18 ALA CA . 17665 1 135 . 1 . 1 28 28 ALA CB C 13 19.73 0.12 . 1 . . . . . 18 ALA CB . 17665 1 136 . 1 . 1 28 28 ALA N N 15 122.9 0.15 . 1 . . . . . 18 ALA N . 17665 1 137 . 1 . 1 29 29 ALA H H 1 8.020 0.03 . 1 . . . . . 19 ALA H . 17665 1 138 . 1 . 1 29 29 ALA HA H 1 4.456 0.03 . 1 . . . . . 19 ALA HA . 17665 1 139 . 1 . 1 29 29 ALA HB1 H 1 1.244 0.03 . 1 . . . . . 19 ALA MB . 17665 1 140 . 1 . 1 29 29 ALA HB2 H 1 1.244 0.03 . 1 . . . . . 19 ALA MB . 17665 1 141 . 1 . 1 29 29 ALA HB3 H 1 1.244 0.03 . 1 . . . . . 19 ALA MB . 17665 1 142 . 1 . 1 29 29 ALA CA C 13 55.49 0.12 . 1 . . . . . 19 ALA CA . 17665 1 143 . 1 . 1 29 29 ALA CB C 13 19.29 0.12 . 1 . . . . . 19 ALA CB . 17665 1 144 . 1 . 1 29 29 ALA N N 15 122.9 0.15 . 1 . . . . . 19 ALA N . 17665 1 145 . 1 . 1 30 30 GLU H H 1 8.105 0.03 . 1 . . . . . 20 GLU H . 17665 1 146 . 1 . 1 30 30 GLU HA H 1 4.095 0.03 . 1 . . . . . 20 GLU HA . 17665 1 147 . 1 . 1 30 30 GLU HB2 H 1 1.898 0.03 . 2 . . . . . 20 GLU HB2 . 17665 1 148 . 1 . 1 30 30 GLU HB3 H 1 1.835 0.03 . 2 . . . . . 20 GLU HB3 . 17665 1 149 . 1 . 1 30 30 GLU HG2 H 1 2.158 0.03 . 2 . . . . . 20 GLU HG2 . 17665 1 150 . 1 . 1 30 30 GLU HG3 H 1 2.116 0.03 . 2 . . . . . 20 GLU HG3 . 17665 1 151 . 1 . 1 30 30 GLU CA C 13 59.61 0.12 . 1 . . . . . 20 GLU CA . 17665 1 152 . 1 . 1 30 30 GLU CB C 13 32.08 0.12 . 1 . . . . . 20 GLU CB . 17665 1 153 . 1 . 1 30 30 GLU N N 15 119.7 0.15 . 1 . . . . . 20 GLU N . 17665 1 154 . 1 . 1 31 31 LYS H H 1 8.086 0.03 . 1 . . . . . 21 LYS H . 17665 1 155 . 1 . 1 31 31 LYS HA H 1 4.103 0.03 . 1 . . . . . 21 LYS HA . 17665 1 156 . 1 . 1 31 31 LYS HB2 H 1 1.683 0.03 . 2 . . . . . 21 LYS HB2 . 17665 1 157 . 1 . 1 31 31 LYS CA C 13 59.48 0.12 . 1 . . . . . 21 LYS CA . 17665 1 158 . 1 . 1 31 31 LYS CB C 13 32.83 0.12 . 1 . . . . . 21 LYS CB . 17665 1 159 . 1 . 1 31 31 LYS N N 15 121.7 0.15 . 1 . . . . . 21 LYS N . 17665 1 160 . 1 . 1 32 32 THR H H 1 7.884 0.03 . 1 . . . . . 22 THR H . 17665 1 161 . 1 . 1 32 32 THR HA H 1 4.138 0.03 . 1 . . . . . 22 THR HA . 17665 1 162 . 1 . 1 32 32 THR HG21 H 1 1.072 0.03 . 1 . . . . . 22 THR MG . 17665 1 163 . 1 . 1 32 32 THR HG22 H 1 1.072 0.03 . 1 . . . . . 22 THR MG . 17665 1 164 . 1 . 1 32 32 THR HG23 H 1 1.072 0.03 . 1 . . . . . 22 THR MG . 17665 1 165 . 1 . 1 32 32 THR CA C 13 65.02 0.12 . 1 . . . . . 22 THR CA . 17665 1 166 . 1 . 1 32 32 THR CB C 13 73.02 0.12 . 1 . . . . . 22 THR CB . 17665 1 167 . 1 . 1 32 32 THR N N 15 114.4 0.15 . 1 . . . . . 22 THR N . 17665 1 168 . 1 . 1 33 33 LYS H H 1 8.095 0.03 . 1 . . . . . 23 LYS H . 17665 1 169 . 1 . 1 33 33 LYS HA H 1 4.135 0.03 . 1 . . . . . 23 LYS HA . 17665 1 170 . 1 . 1 33 33 LYS HB2 H 1 1.918 0.03 . 2 . . . . . 23 LYS HB2 . 17665 1 171 . 1 . 1 33 33 LYS HG2 H 1 1.602 0.03 . 2 . . . . . 23 LYS HG2 . 17665 1 172 . 1 . 1 33 33 LYS CA C 13 57.06 0.12 . 1 . . . . . 23 LYS CA . 17665 1 173 . 1 . 1 33 33 LYS CB C 13 31.57 0.12 . 1 . . . . . 23 LYS CB . 17665 1 174 . 1 . 1 33 33 LYS N N 15 123.6 0.15 . 1 . . . . . 23 LYS N . 17665 1 175 . 1 . 1 34 34 GLN H H 1 8.070 0.03 . 1 . . . . . 24 GLN H . 17665 1 176 . 1 . 1 34 34 GLN HA H 1 4.111 0.03 . 1 . . . . . 24 GLN HA . 17665 1 177 . 1 . 1 34 34 GLN CA C 13 56.94 0.12 . 1 . . . . . 24 GLN CA . 17665 1 178 . 1 . 1 34 34 GLN CB C 13 32.87 0.12 . 1 . . . . . 24 GLN CB . 17665 1 179 . 1 . 1 34 34 GLN N N 15 120.6 0.15 . 1 . . . . . 24 GLN N . 17665 1 180 . 1 . 1 35 35 GLY H H 1 8.260 0.03 . 1 . . . . . 25 GLY H . 17665 1 181 . 1 . 1 35 35 GLY HA2 H 1 3.808 0.03 . 2 . . . . . 25 GLY HA2 . 17665 1 182 . 1 . 1 35 35 GLY CA C 13 47.98 0.12 . 1 . . . . . 25 GLY CA . 17665 1 183 . 1 . 1 35 35 GLY N N 15 110.4 0.15 . 1 . . . . . 25 GLY N . 17665 1 184 . 1 . 1 36 36 VAL H H 1 7.750 0.03 . 1 . . . . . 26 VAL H . 17665 1 185 . 1 . 1 36 36 VAL HA H 1 3.969 0.03 . 1 . . . . . 26 VAL HA . 17665 1 186 . 1 . 1 36 36 VAL HB H 1 1.902 0.03 . 1 . . . . . 26 VAL HB . 17665 1 187 . 1 . 1 36 36 VAL HG11 H 1 0.751 0.03 . 2 . . . . . 26 VAL MG1 . 17665 1 188 . 1 . 1 36 36 VAL HG12 H 1 0.751 0.03 . 2 . . . . . 26 VAL MG1 . 17665 1 189 . 1 . 1 36 36 VAL HG13 H 1 0.751 0.03 . 2 . . . . . 26 VAL MG1 . 17665 1 190 . 1 . 1 36 36 VAL HG21 H 1 0.772 0.03 . 2 . . . . . 26 VAL MG2 . 17665 1 191 . 1 . 1 36 36 VAL HG22 H 1 0.772 0.03 . 2 . . . . . 26 VAL MG2 . 17665 1 192 . 1 . 1 36 36 VAL HG23 H 1 0.772 0.03 . 2 . . . . . 26 VAL MG2 . 17665 1 193 . 1 . 1 36 36 VAL CA C 13 65.18 0.12 . 1 . . . . . 26 VAL CA . 17665 1 194 . 1 . 1 36 36 VAL CB C 13 29.63 0.12 . 1 . . . . . 26 VAL CB . 17665 1 195 . 1 . 1 36 36 VAL N N 15 119.3 0.15 . 1 . . . . . 26 VAL N . 17665 1 196 . 1 . 1 37 37 ALA H H 1 8.179 0.03 . 1 . . . . . 27 ALA H . 17665 1 197 . 1 . 1 37 37 ALA HA H 1 4.121 0.03 . 1 . . . . . 27 ALA HA . 17665 1 198 . 1 . 1 37 37 ALA HB1 H 1 1.206 0.03 . 1 . . . . . 27 ALA MB . 17665 1 199 . 1 . 1 37 37 ALA HB2 H 1 1.206 0.03 . 1 . . . . . 27 ALA MB . 17665 1 200 . 1 . 1 37 37 ALA HB3 H 1 1.206 0.03 . 1 . . . . . 27 ALA MB . 17665 1 201 . 1 . 1 37 37 ALA CA C 13 55.41 0.12 . 1 . . . . . 27 ALA CA . 17665 1 202 . 1 . 1 37 37 ALA CB C 13 20.29 0.12 . 1 . . . . . 27 ALA CB . 17665 1 203 . 1 . 1 37 37 ALA N N 15 127.5 0.15 . 1 . . . . . 27 ALA N . 17665 1 204 . 1 . 1 38 38 GLU H H 1 8.102 0.03 . 1 . . . . . 28 GLU H . 17665 1 205 . 1 . 1 38 38 GLU HA H 1 4.151 0.03 . 1 . . . . . 28 GLU HA . 17665 1 206 . 1 . 1 38 38 GLU HB2 H 1 1.810 0.03 . 2 . . . . . 28 GLU HB2 . 17665 1 207 . 1 . 1 38 38 GLU HB3 H 1 1.640 0.03 . 2 . . . . . 28 GLU HB3 . 17665 1 208 . 1 . 1 38 38 GLU CA C 13 59.67 0.12 . 1 . . . . . 28 GLU CA . 17665 1 209 . 1 . 1 38 38 GLU CB C 13 31.17 0.12 . 1 . . . . . 28 GLU CB . 17665 1 210 . 1 . 1 38 38 GLU N N 15 119.8 0.15 . 1 . . . . . 28 GLU N . 17665 1 211 . 1 . 1 39 39 ALA H H 1 8.023 0.03 . 1 . . . . . 29 ALA H . 17665 1 212 . 1 . 1 39 39 ALA HA H 1 4.129 0.03 . 1 . . . . . 29 ALA HA . 17665 1 213 . 1 . 1 39 39 ALA HB1 H 1 1.244 0.03 . 1 . . . . . 29 ALA MB . 17665 1 214 . 1 . 1 39 39 ALA HB2 H 1 1.244 0.03 . 1 . . . . . 29 ALA MB . 17665 1 215 . 1 . 1 39 39 ALA HB3 H 1 1.244 0.03 . 1 . . . . . 29 ALA MB . 17665 1 216 . 1 . 1 39 39 ALA CA C 13 55.23 0.12 . 1 . . . . . 29 ALA CA . 17665 1 217 . 1 . 1 39 39 ALA CB C 13 19.69 0.12 . 1 . . . . . 29 ALA CB . 17665 1 218 . 1 . 1 39 39 ALA N N 15 124.5 0.15 . 1 . . . . . 29 ALA N . 17665 1 219 . 1 . 1 40 40 ALA H H 1 8.004 0.03 . 1 . . . . . 30 ALA H . 17665 1 220 . 1 . 1 40 40 ALA HA H 1 4.103 0.03 . 1 . . . . . 30 ALA HA . 17665 1 221 . 1 . 1 40 40 ALA HB1 H 1 1.241 0.03 . 1 . . . . . 30 ALA MB . 17665 1 222 . 1 . 1 40 40 ALA HB2 H 1 1.241 0.03 . 1 . . . . . 30 ALA MB . 17665 1 223 . 1 . 1 40 40 ALA HB3 H 1 1.241 0.03 . 1 . . . . . 30 ALA MB . 17665 1 224 . 1 . 1 40 40 ALA CA C 13 52.91 0.12 . 1 . . . . . 30 ALA CA . 17665 1 225 . 1 . 1 40 40 ALA CB C 13 19.37 0.12 . 1 . . . . . 30 ALA CB . 17665 1 226 . 1 . 1 40 40 ALA N N 15 122.5 0.15 . 1 . . . . . 30 ALA N . 17665 1 227 . 1 . 1 41 41 GLY H H 1 8.096 0.03 . 1 . . . . . 31 GLY H . 17665 1 228 . 1 . 1 41 41 GLY HA2 H 1 3.842 0.03 . 2 . . . . . 31 GLY HA2 . 17665 1 229 . 1 . 1 41 41 GLY HA3 H 1 3.782 0.03 . 2 . . . . . 31 GLY HA3 . 17665 1 230 . 1 . 1 41 41 GLY CA C 13 48.16 0.12 . 1 . . . . . 31 GLY CA . 17665 1 231 . 1 . 1 41 41 GLY N N 15 107.5 0.15 . 1 . . . . . 31 GLY N . 17665 1 232 . 1 . 1 42 42 LYS H H 1 7.880 0.03 . 1 . . . . . 32 LYS H . 17665 1 233 . 1 . 1 42 42 LYS HA H 1 4.240 0.03 . 1 . . . . . 32 LYS HA . 17665 1 234 . 1 . 1 42 42 LYS HB2 H 1 1.626 0.03 . 2 . . . . . 32 LYS HB2 . 17665 1 235 . 1 . 1 42 42 LYS CA C 13 59.08 0.12 . 1 . . . . . 32 LYS CA . 17665 1 236 . 1 . 1 42 42 LYS CB C 13 34.51 0.12 . 1 . . . . . 32 LYS CB . 17665 1 237 . 1 . 1 42 42 LYS N N 15 120.4 0.15 . 1 . . . . . 32 LYS N . 17665 1 238 . 1 . 1 43 43 THR H H 1 7.977 0.03 . 1 . . . . . 33 THR H . 17665 1 239 . 1 . 1 43 43 THR HA H 1 4.165 0.03 . 1 . . . . . 33 THR HA . 17665 1 240 . 1 . 1 43 43 THR HG21 H 1 1.068 0.03 . 1 . . . . . 33 THR MG . 17665 1 241 . 1 . 1 43 43 THR HG22 H 1 1.068 0.03 . 1 . . . . . 33 THR MG . 17665 1 242 . 1 . 1 43 43 THR HG23 H 1 1.068 0.03 . 1 . . . . . 33 THR MG . 17665 1 243 . 1 . 1 43 43 THR CA C 13 64.76 0.12 . 1 . . . . . 33 THR CA . 17665 1 244 . 1 . 1 43 43 THR CB C 13 67.86 0.12 . 1 . . . . . 33 THR CB . 17665 1 245 . 1 . 1 43 43 THR N N 15 115.5 0.15 . 1 . . . . . 33 THR N . 17665 1 246 . 1 . 1 44 44 LYS H H 1 8.223 0.03 . 1 . . . . . 34 LYS H . 17665 1 247 . 1 . 1 44 44 LYS HA H 1 4.088 0.03 . 1 . . . . . 34 LYS HA . 17665 1 248 . 1 . 1 44 44 LYS HB2 H 1 1.633 0.03 . 2 . . . . . 34 LYS HB2 . 17665 1 249 . 1 . 1 44 44 LYS CA C 13 56.88 0.12 . 1 . . . . . 34 LYS CA . 17665 1 250 . 1 . 1 44 44 LYS CB C 13 34.93 0.12 . 1 . . . . . 34 LYS CB . 17665 1 251 . 1 . 1 44 44 LYS N N 15 123.5 0.15 . 1 . . . . . 34 LYS N . 17665 1 252 . 1 . 1 45 45 GLU H H 1 8.223 0.03 . 1 . . . . . 35 GLU H . 17665 1 253 . 1 . 1 45 45 GLU HA H 1 4.088 0.03 . 1 . . . . . 35 GLU HA . 17665 1 254 . 1 . 1 45 45 GLU HB2 H 1 1.871 0.03 . 2 . . . . . 35 GLU HB2 . 17665 1 255 . 1 . 1 45 45 GLU HB3 H 1 1.786 0.03 . 2 . . . . . 35 GLU HB3 . 17665 1 256 . 1 . 1 45 45 GLU HG2 H 1 2.094 0.03 . 2 . . . . . 35 GLU HG2 . 17665 1 257 . 1 . 1 45 45 GLU CA C 13 59.62 0.12 . 1 . . . . . 35 GLU CA . 17665 1 258 . 1 . 1 45 45 GLU CB C 13 31.06 0.12 . 1 . . . . . 35 GLU CB . 17665 1 259 . 1 . 1 45 45 GLU N N 15 121.9 0.15 . 1 . . . . . 35 GLU N . 17665 1 260 . 1 . 1 46 46 GLY H H 1 8.205 0.03 . 1 . . . . . 36 GLY H . 17665 1 261 . 1 . 1 46 46 GLY HA2 H 1 3.800 0.03 . 2 . . . . . 36 GLY HA2 . 17665 1 262 . 1 . 1 46 46 GLY CA C 13 48.09 0.12 . 1 . . . . . 36 GLY CA . 17665 1 263 . 1 . 1 46 46 GLY N N 15 109.7 0.15 . 1 . . . . . 36 GLY N . 17665 1 264 . 1 . 1 47 47 VAL H H 1 7.680 0.03 . 1 . . . . . 37 VAL H . 17665 1 265 . 1 . 1 47 47 VAL HA H 1 3.930 0.03 . 1 . . . . . 37 VAL HA . 17665 1 266 . 1 . 1 47 47 VAL HB H 1 1.850 0.03 . 1 . . . . . 37 VAL HB . 17665 1 267 . 1 . 1 47 47 VAL HG11 H 1 0.717 0.03 . 2 . . . . . 37 VAL MG1 . 17665 1 268 . 1 . 1 47 47 VAL HG12 H 1 0.717 0.03 . 2 . . . . . 37 VAL MG1 . 17665 1 269 . 1 . 1 47 47 VAL HG13 H 1 0.717 0.03 . 2 . . . . . 37 VAL MG1 . 17665 1 270 . 1 . 1 47 47 VAL HG21 H 1 0.671 0.03 . 2 . . . . . 37 VAL MG2 . 17665 1 271 . 1 . 1 47 47 VAL HG22 H 1 0.671 0.03 . 2 . . . . . 37 VAL MG2 . 17665 1 272 . 1 . 1 47 47 VAL HG23 H 1 0.671 0.03 . 2 . . . . . 37 VAL MG2 . 17665 1 273 . 1 . 1 47 47 VAL CA C 13 65.06 0.12 . 1 . . . . . 37 VAL CA . 17665 1 274 . 1 . 1 47 47 VAL CB C 13 33.53 0.12 . 1 . . . . . 37 VAL CB . 17665 1 275 . 1 . 1 47 47 VAL N N 15 118.8 0.15 . 1 . . . . . 37 VAL N . 17665 1 276 . 1 . 1 48 48 LEU H H 1 8.037 0.03 . 1 . . . . . 38 LEU H . 17665 1 277 . 1 . 1 48 48 LEU HA H 1 4.163 0.03 . 1 . . . . . 38 LEU HA . 17665 1 278 . 1 . 1 48 48 LEU HB2 H 1 1.280 0.03 . 2 . . . . . 38 LEU HB2 . 17665 1 279 . 1 . 1 48 48 LEU HB3 H 1 1.360 0.03 . 2 . . . . . 38 LEU HB3 . 17665 1 280 . 1 . 1 48 48 LEU HG H 1 1.836 0.03 . 1 . . . . . 38 LEU HG . 17665 1 281 . 1 . 1 48 48 LEU HD11 H 1 0.744 0.03 . 2 . . . . . 38 LEU MD1 . 17665 1 282 . 1 . 1 48 48 LEU HD12 H 1 0.744 0.03 . 2 . . . . . 38 LEU MD1 . 17665 1 283 . 1 . 1 48 48 LEU HD13 H 1 0.744 0.03 . 2 . . . . . 38 LEU MD1 . 17665 1 284 . 1 . 1 48 48 LEU HD21 H 1 0.794 0.03 . 2 . . . . . 38 LEU MD2 . 17665 1 285 . 1 . 1 48 48 LEU HD22 H 1 0.794 0.03 . 2 . . . . . 38 LEU MD2 . 17665 1 286 . 1 . 1 48 48 LEU HD23 H 1 0.794 0.03 . 2 . . . . . 38 LEU MD2 . 17665 1 287 . 1 . 1 48 48 LEU CA C 13 55.49 0.12 . 1 . . . . . 38 LEU CA . 17665 1 288 . 1 . 1 48 48 LEU CB C 13 45.24 0.12 . 1 . . . . . 38 LEU CB . 17665 1 289 . 1 . 1 48 48 LEU N N 15 125.0 0.15 . 1 . . . . . 38 LEU N . 17665 1 290 . 1 . 1 49 49 TYR H H 1 7.863 0.03 . 1 . . . . . 39 TYR H . 17665 1 291 . 1 . 1 49 49 TYR HA H 1 4.394 0.03 . 1 . . . . . 39 TYR HA . 17665 1 292 . 1 . 1 49 49 TYR HB2 H 1 2.851 0.03 . 2 . . . . . 39 TYR HB2 . 17665 1 293 . 1 . 1 49 49 TYR HB3 H 1 2.798 0.03 . 2 . . . . . 39 TYR HB3 . 17665 1 294 . 1 . 1 49 49 TYR CA C 13 60.58 0.12 . 1 . . . . . 39 TYR CA . 17665 1 295 . 1 . 1 49 49 TYR CB C 13 41.54 0.12 . 1 . . . . . 39 TYR CB . 17665 1 296 . 1 . 1 49 49 TYR N N 15 121.7 0.15 . 1 . . . . . 39 TYR N . 17665 1 297 . 1 . 1 50 50 VAL H H 1 7.863 0.03 . 1 . . . . . 40 VAL H . 17665 1 298 . 1 . 1 50 50 VAL HA H 1 4.026 0.03 . 1 . . . . . 40 VAL HA . 17665 1 299 . 1 . 1 50 50 VAL HB H 1 1.893 0.03 . 1 . . . . . 40 VAL HB . 17665 1 300 . 1 . 1 50 50 VAL HG11 H 1 0.747 0.03 . 2 . . . . . 40 VAL MG1 . 17665 1 301 . 1 . 1 50 50 VAL HG12 H 1 0.747 0.03 . 2 . . . . . 40 VAL MG1 . 17665 1 302 . 1 . 1 50 50 VAL HG13 H 1 0.747 0.03 . 2 . . . . . 40 VAL MG1 . 17665 1 303 . 1 . 1 50 50 VAL HG21 H 1 0.747 0.03 . 2 . . . . . 40 VAL MG2 . 17665 1 304 . 1 . 1 50 50 VAL HG22 H 1 0.747 0.03 . 2 . . . . . 40 VAL MG2 . 17665 1 305 . 1 . 1 50 50 VAL HG23 H 1 0.747 0.03 . 2 . . . . . 40 VAL MG2 . 17665 1 306 . 1 . 1 50 50 VAL CA C 13 64.94 0.12 . 1 . . . . . 40 VAL CA . 17665 1 307 . 1 . 1 50 50 VAL CB C 13 35.36 0.12 . 1 . . . . . 40 VAL CB . 17665 1 308 . 1 . 1 50 50 VAL N N 15 122.5 0.15 . 1 . . . . . 40 VAL N . 17665 1 309 . 1 . 1 51 51 GLY H H 1 7.867 0.03 . 1 . . . . . 41 GLY H . 17665 1 310 . 1 . 1 51 51 GLY HA2 H 1 3.780 0.03 . 2 . . . . . 41 GLY HA2 . 17665 1 311 . 1 . 1 51 51 GLY HA3 H 1 3.820 0.03 . 2 . . . . . 41 GLY HA3 . 17665 1 312 . 1 . 1 51 51 GLY CA C 13 47.98 0.12 . 1 . . . . . 41 GLY CA . 17665 1 313 . 1 . 1 51 51 GLY N N 15 111.8 0.15 . 1 . . . . . 41 GLY N . 17665 1 314 . 1 . 1 52 52 SER H H 1 7.927 0.03 . 1 . . . . . 42 SER H . 17665 1 315 . 1 . 1 52 52 SER HA H 1 4.622 0.03 . 1 . . . . . 42 SER HA . 17665 1 316 . 1 . 1 52 52 SER HB2 H 1 3.714 0.03 . 2 . . . . . 42 SER HB2 . 17665 1 317 . 1 . 1 52 52 SER HB3 H 1 3.715 0.03 . 2 . . . . . 42 SER HB3 . 17665 1 318 . 1 . 1 52 52 SER CA C 13 59.12 0.12 . 1 . . . . . 42 SER CA . 17665 1 319 . 1 . 1 52 52 SER CB C 13 66.77 0.12 . 1 . . . . . 42 SER CB . 17665 1 320 . 1 . 1 52 52 SER N N 15 116.5 0.15 . 1 . . . . . 42 SER N . 17665 1 321 . 1 . 1 53 53 LYS H H 1 8.227 0.03 . 1 . . . . . 43 LYS H . 17665 1 322 . 1 . 1 53 53 LYS HA H 1 4.124 0.03 . 1 . . . . . 43 LYS HA . 17665 1 323 . 1 . 1 53 53 LYS HB2 H 1 1.623 0.03 . 2 . . . . . 43 LYS HB2 . 17665 1 324 . 1 . 1 53 53 LYS CA C 13 59.15 0.12 . 1 . . . . . 43 LYS CA . 17665 1 325 . 1 . 1 53 53 LYS CB C 13 35.92 0.12 . 1 . . . . . 43 LYS CB . 17665 1 326 . 1 . 1 53 53 LYS N N 15 121.8 0.15 . 1 . . . . . 43 LYS N . 17665 1 327 . 1 . 1 54 54 THR H H 1 7.964 0.03 . 1 . . . . . 44 THR H . 17665 1 328 . 1 . 1 54 54 THR HA H 1 4.133 0.03 . 1 . . . . . 44 THR HA . 17665 1 329 . 1 . 1 54 54 THR HG21 H 1 1.058 0.03 . 1 . . . . . 44 THR MG . 17665 1 330 . 1 . 1 54 54 THR HG22 H 1 1.058 0.03 . 1 . . . . . 44 THR MG . 17665 1 331 . 1 . 1 54 54 THR HG23 H 1 1.058 0.03 . 1 . . . . . 44 THR MG . 17665 1 332 . 1 . 1 54 54 THR CA C 13 64.74 0.12 . 1 . . . . . 44 THR CA . 17665 1 333 . 1 . 1 54 54 THR CB C 13 72.81 0.12 . 1 . . . . . 44 THR CB . 17665 1 334 . 1 . 1 54 54 THR N N 15 115.1 0.15 . 1 . . . . . 44 THR N . 17665 1 335 . 1 . 1 55 55 LYS H H 1 8.110 0.03 . 1 . . . . . 45 LYS H . 17665 1 336 . 1 . 1 55 55 LYS HA H 1 4.152 0.03 . 1 . . . . . 45 LYS HA . 17665 1 337 . 1 . 1 55 55 LYS HB2 H 1 1.631 0.03 . 2 . . . . . 45 LYS HB2 . 17665 1 338 . 1 . 1 55 55 LYS HG2 H 1 1.712 0.03 . 2 . . . . . 45 LYS HG2 . 17665 1 339 . 1 . 1 55 55 LYS CA C 13 59.33 0.12 . 1 . . . . . 45 LYS CA . 17665 1 340 . 1 . 1 55 55 LYS CB C 13 35.64 0.12 . 1 . . . . . 45 LYS CB . 17665 1 341 . 1 . 1 55 55 LYS N N 15 123.1 0.15 . 1 . . . . . 45 LYS N . 17665 1 342 . 1 . 1 56 56 GLU H H 1 8.233 0.03 . 1 . . . . . 46 GLU H . 17665 1 343 . 1 . 1 56 56 GLU HA H 1 4.156 0.03 . 1 . . . . . 46 GLU HA . 17665 1 344 . 1 . 1 56 56 GLU HB2 H 1 1.802 0.03 . 2 . . . . . 46 GLU HB2 . 17665 1 345 . 1 . 1 56 56 GLU HB3 H 1 1.896 0.03 . 2 . . . . . 46 GLU HB3 . 17665 1 346 . 1 . 1 56 56 GLU HG2 H 1 2.136 0.03 . 2 . . . . . 46 GLU HG2 . 17665 1 347 . 1 . 1 56 56 GLU CA C 13 59.62 0.12 . 1 . . . . . 46 GLU CA . 17665 1 348 . 1 . 1 56 56 GLU CB C 13 32.73 0.12 . 1 . . . . . 46 GLU CB . 17665 1 349 . 1 . 1 56 56 GLU N N 15 121.5 0.15 . 1 . . . . . 46 GLU N . 17665 1 350 . 1 . 1 57 57 GLY H H 1 8.215 0.03 . 1 . . . . . 47 GLY H . 17665 1 351 . 1 . 1 57 57 GLY HA2 H 1 3.798 0.03 . 1 . . . . . 47 GLY HA2 . 17665 1 352 . 1 . 1 57 57 GLY CA C 13 48.11 0.12 . 1 . . . . . 47 GLY CA . 17665 1 353 . 1 . 1 57 57 GLY N N 15 109.7 0.15 . 1 . . . . . 47 GLY N . 17665 1 354 . 1 . 1 58 58 VAL H H 1 7.679 0.03 . 1 . . . . . 48 VAL H . 17665 1 355 . 1 . 1 58 58 VAL HA H 1 3.925 0.03 . 1 . . . . . 48 VAL HA . 17665 1 356 . 1 . 1 58 58 VAL HB H 1 1.867 0.03 . 1 . . . . . 48 VAL HB . 17665 1 357 . 1 . 1 58 58 VAL HG11 H 1 0.739 0.03 . 2 . . . . . 48 VAL MG1 . 17665 1 358 . 1 . 1 58 58 VAL HG12 H 1 0.739 0.03 . 2 . . . . . 48 VAL MG1 . 17665 1 359 . 1 . 1 58 58 VAL HG13 H 1 0.739 0.03 . 2 . . . . . 48 VAL MG1 . 17665 1 360 . 1 . 1 58 58 VAL HG21 H 1 0.693 0.03 . 2 . . . . . 48 VAL MG2 . 17665 1 361 . 1 . 1 58 58 VAL HG22 H 1 0.693 0.03 . 2 . . . . . 48 VAL MG2 . 17665 1 362 . 1 . 1 58 58 VAL HG23 H 1 0.693 0.03 . 2 . . . . . 48 VAL MG2 . 17665 1 363 . 1 . 1 58 58 VAL CA C 13 65.06 0.12 . 1 . . . . . 48 VAL CA . 17665 1 364 . 1 . 1 58 58 VAL CB C 13 35.57 0.12 . 1 . . . . . 48 VAL CB . 17665 1 365 . 1 . 1 58 58 VAL N N 15 119.2 0.15 . 1 . . . . . 48 VAL N . 17665 1 366 . 1 . 1 59 59 VAL H H 1 8.038 0.03 . 1 . . . . . 49 VAL H . 17665 1 367 . 1 . 1 59 59 VAL HA H 1 3.920 0.03 . 1 . . . . . 49 VAL HA . 17665 1 368 . 1 . 1 59 59 VAL HB H 1 1.831 0.03 . 1 . . . . . 49 VAL HB . 17665 1 369 . 1 . 1 59 59 VAL HG11 H 1 0.789 0.03 . 2 . . . . . 49 VAL MG1 . 17665 1 370 . 1 . 1 59 59 VAL HG12 H 1 0.789 0.03 . 2 . . . . . 49 VAL MG1 . 17665 1 371 . 1 . 1 59 59 VAL HG13 H 1 0.789 0.03 . 2 . . . . . 49 VAL MG1 . 17665 1 372 . 1 . 1 59 59 VAL CA C 13 64.97 0.12 . 1 . . . . . 49 VAL CA . 17665 1 373 . 1 . 1 59 59 VAL CB C 13 35.69 0.12 . 1 . . . . . 49 VAL CB . 17665 1 374 . 1 . 1 59 59 VAL N N 15 124.4 0.15 . 1 . . . . . 49 VAL N . 17665 1 375 . 1 . 1 60 60 HIS H H 1 8.235 0.03 . 1 . . . . . 50 HIS H . 17665 1 376 . 1 . 1 60 60 HIS HA H 1 4.498 0.03 . 1 . . . . . 50 HIS HA . 17665 1 377 . 1 . 1 60 60 HIS HB2 H 1 2.900 0.03 . 2 . . . . . 50 HIS HB2 . 17665 1 378 . 1 . 1 60 60 HIS HB3 H 1 2.957 0.03 . 2 . . . . . 50 HIS HB3 . 17665 1 379 . 1 . 1 60 60 HIS CA C 13 59.08 0.12 . 1 . . . . . 50 HIS CA . 17665 1 380 . 1 . 1 60 60 HIS CB C 13 33.67 0.12 . 1 . . . . . 50 HIS CB . 17665 1 381 . 1 . 1 60 60 HIS N N 15 124.1 0.15 . 1 . . . . . 50 HIS N . 17665 1 382 . 1 . 1 61 61 GLY H H 1 8.224 0.03 . 1 . . . . . 51 GLY H . 17665 1 383 . 1 . 1 61 61 GLY HA2 H 1 3.732 0.03 . 2 . . . . . 51 GLY HA2 . 17665 1 384 . 1 . 1 61 61 GLY HA3 H 1 3.732 0.03 . 2 . . . . . 51 GLY HA3 . 17665 1 385 . 1 . 1 61 61 GLY CA C 13 48.05 0.12 . 1 . . . . . 51 GLY CA . 17665 1 386 . 1 . 1 61 61 GLY N N 15 109.9 0.15 . 1 . . . . . 51 GLY N . 17665 1 387 . 1 . 1 62 62 VAL H H 1 7.781 0.03 . 1 . . . . . 52 VAL H . 17665 1 388 . 1 . 1 62 62 VAL HA H 1 3.944 0.03 . 1 . . . . . 52 VAL HA . 17665 1 389 . 1 . 1 62 62 VAL HB H 1 1.942 0.03 . 1 . . . . . 52 VAL HB . 17665 1 390 . 1 . 1 62 62 VAL HG11 H 1 0.795 0.03 . 2 . . . . . 52 VAL MG1 . 17665 1 391 . 1 . 1 62 62 VAL HG12 H 1 0.795 0.03 . 2 . . . . . 52 VAL MG1 . 17665 1 392 . 1 . 1 62 62 VAL HG13 H 1 0.795 0.03 . 2 . . . . . 52 VAL MG1 . 17665 1 393 . 1 . 1 62 62 VAL HG21 H 1 0.774 0.03 . 2 . . . . . 52 VAL MG2 . 17665 1 394 . 1 . 1 62 62 VAL HG22 H 1 0.774 0.03 . 2 . . . . . 52 VAL MG2 . 17665 1 395 . 1 . 1 62 62 VAL HG23 H 1 0.774 0.03 . 2 . . . . . 52 VAL MG2 . 17665 1 396 . 1 . 1 62 62 VAL CA C 13 64.88 0.12 . 1 . . . . . 52 VAL CA . 17665 1 397 . 1 . 1 62 62 VAL CB C 13 35.47 0.12 . 1 . . . . . 52 VAL CB . 17665 1 398 . 1 . 1 62 62 VAL N N 15 119.4 0.15 . 1 . . . . . 52 VAL N . 17665 1 399 . 1 . 1 63 63 ALA H H 1 8.249 0.03 . 1 . . . . . 53 ALA H . 17665 1 400 . 1 . 1 63 63 ALA HA H 1 4.247 0.03 . 1 . . . . . 53 ALA HA . 17665 1 401 . 1 . 1 63 63 ALA HB1 H 1 1.236 0.03 . 1 . . . . . 53 ALA MB . 17665 1 402 . 1 . 1 63 63 ALA HB2 H 1 1.236 0.03 . 1 . . . . . 53 ALA MB . 17665 1 403 . 1 . 1 63 63 ALA HB3 H 1 1.236 0.03 . 1 . . . . . 53 ALA MB . 17665 1 404 . 1 . 1 63 63 ALA CA C 13 55.21 0.12 . 1 . . . . . 53 ALA CA . 17665 1 405 . 1 . 1 63 63 ALA CB C 13 21.60 0.12 . 1 . . . . . 53 ALA CB . 17665 1 406 . 1 . 1 63 63 ALA N N 15 127.6 0.15 . 1 . . . . . 53 ALA N . 17665 1 407 . 1 . 1 64 64 THR H H 1 7.960 0.03 . 1 . . . . . 54 THR H . 17665 1 408 . 1 . 1 64 64 THR HA H 1 4.163 0.03 . 1 . . . . . 54 THR HA . 17665 1 409 . 1 . 1 64 64 THR HG21 H 1 1.059 0.03 . 1 . . . . . 54 THR MG . 17665 1 410 . 1 . 1 64 64 THR HG22 H 1 1.059 0.03 . 1 . . . . . 54 THR MG . 17665 1 411 . 1 . 1 64 64 THR HG23 H 1 1.059 0.03 . 1 . . . . . 54 THR MG . 17665 1 412 . 1 . 1 64 64 THR CA C 13 64.59 0.12 . 1 . . . . . 54 THR CA . 17665 1 413 . 1 . 1 64 64 THR CB C 13 73.42 0.12 . 1 . . . . . 54 THR CB . 17665 1 414 . 1 . 1 64 64 THR N N 15 114.0 0.15 . 1 . . . . . 54 THR N . 17665 1 415 . 1 . 1 65 65 VAL H H 1 8.027 0.03 . 1 . . . . . 55 VAL H . 17665 1 416 . 1 . 1 65 65 VAL HA H 1 3.961 0.03 . 1 . . . . . 55 VAL HA . 17665 1 417 . 1 . 1 65 65 VAL HB H 1 1.860 0.03 . 1 . . . . . 55 VAL HB . 17665 1 418 . 1 . 1 65 65 VAL HG11 H 1 0.746 0.03 . 2 . . . . . 55 VAL MG1 . 17665 1 419 . 1 . 1 65 65 VAL HG12 H 1 0.746 0.03 . 2 . . . . . 55 VAL MG1 . 17665 1 420 . 1 . 1 65 65 VAL HG13 H 1 0.746 0.03 . 2 . . . . . 55 VAL MG1 . 17665 1 421 . 1 . 1 65 65 VAL CA C 13 65.23 0.12 . 1 . . . . . 55 VAL CA . 17665 1 422 . 1 . 1 65 65 VAL CB C 13 31.25 0.12 . 1 . . . . . 55 VAL CB . 17665 1 423 . 1 . 1 65 65 VAL N N 15 122.5 0.15 . 1 . . . . . 55 VAL N . 17665 1 424 . 1 . 1 66 66 ALA H H 1 8.185 0.03 . 1 . . . . . 56 ALA H . 17665 1 425 . 1 . 1 66 66 ALA HA H 1 4.128 0.03 . 1 . . . . . 56 ALA HA . 17665 1 426 . 1 . 1 66 66 ALA HB1 H 1 1.211 0.03 . 1 . . . . . 56 ALA MB . 17665 1 427 . 1 . 1 66 66 ALA HB2 H 1 1.211 0.03 . 1 . . . . . 56 ALA MB . 17665 1 428 . 1 . 1 66 66 ALA HB3 H 1 1.211 0.03 . 1 . . . . . 56 ALA MB . 17665 1 429 . 1 . 1 66 66 ALA CA C 13 55.33 0.12 . 1 . . . . . 56 ALA CA . 17665 1 430 . 1 . 1 66 66 ALA CB C 13 21.64 0.12 . 1 . . . . . 56 ALA CB . 17665 1 431 . 1 . 1 66 66 ALA N N 15 127.9 0.15 . 1 . . . . . 56 ALA N . 17665 1 432 . 1 . 1 67 67 GLU H H 1 8.136 0.03 . 1 . . . . . 57 GLU H . 17665 1 433 . 1 . 1 67 67 GLU HA H 1 4.079 0.03 . 1 . . . . . 57 GLU HA . 17665 1 434 . 1 . 1 67 67 GLU HB2 H 1 1.787 0.03 . 2 . . . . . 57 GLU HB2 . 17665 1 435 . 1 . 1 67 67 GLU HG2 H 1 2.127 0.03 . 2 . . . . . 57 GLU HG2 . 17665 1 436 . 1 . 1 67 67 GLU HG3 H 1 2.094 0.03 . 2 . . . . . 57 GLU HG3 . 17665 1 437 . 1 . 1 67 67 GLU CA C 13 59.40 0.12 . 1 . . . . . 57 GLU CA . 17665 1 438 . 1 . 1 67 67 GLU CB C 13 29.49 0.12 . 1 . . . . . 57 GLU CB . 17665 1 439 . 1 . 1 67 67 GLU N N 15 120.5 0.15 . 1 . . . . . 57 GLU N . 17665 1 440 . 1 . 1 68 68 LYS H H 1 8.218 0.03 . 1 . . . . . 58 LYS H . 17665 1 441 . 1 . 1 68 68 LYS HA H 1 4.094 0.03 . 1 . . . . . 58 LYS HA . 17665 1 442 . 1 . 1 68 68 LYS HB2 H 1 1.766 0.03 . 2 . . . . . 58 LYS HB2 . 17665 1 443 . 1 . 1 68 68 LYS HG2 H 1 1.592 0.03 . 2 . . . . . 58 LYS HG2 . 17665 1 444 . 1 . 1 68 68 LYS CA C 13 59.38 0.12 . 1 . . . . . 58 LYS CA . 17665 1 445 . 1 . 1 68 68 LYS CB C 13 34.67 0.12 . 1 . . . . . 58 LYS CB . 17665 1 446 . 1 . 1 68 68 LYS N N 15 122.1 0.15 . 1 . . . . . 58 LYS N . 17665 1 447 . 1 . 1 69 69 THR H H 1 8.046 0.03 . 1 . . . . . 59 THR H . 17665 1 448 . 1 . 1 69 69 THR HA H 1 4.202 0.03 . 1 . . . . . 59 THR HA . 17665 1 449 . 1 . 1 69 69 THR HB H 1 4.330 0.03 . 1 . . . . . 59 THR HB . 17665 1 450 . 1 . 1 69 69 THR HG21 H 1 1.035 0.03 . 1 . . . . . 59 THR MG . 17665 1 451 . 1 . 1 69 69 THR HG22 H 1 1.035 0.03 . 1 . . . . . 59 THR MG . 17665 1 452 . 1 . 1 69 69 THR HG23 H 1 1.035 0.03 . 1 . . . . . 59 THR MG . 17665 1 453 . 1 . 1 69 69 THR CA C 13 62.29 0.12 . 1 . . . . . 59 THR CA . 17665 1 454 . 1 . 1 69 69 THR CB C 13 70.29 0.12 . 1 . . . . . 59 THR CB . 17665 1 455 . 1 . 1 69 69 THR N N 15 116.2 0.15 . 1 . . . . . 59 THR N . 17665 1 456 . 1 . 1 70 70 LYS H H 1 8.181 0.03 . 1 . . . . . 60 LYS H . 17665 1 457 . 1 . 1 70 70 LYS HA H 1 4.148 0.03 . 1 . . . . . 60 LYS HA . 17665 1 458 . 1 . 1 70 70 LYS HG2 H 1 1.609 0.03 . 4 . . . . . 60 LYS HG2 . 17665 1 459 . 1 . 1 70 70 LYS HD2 H 1 1.514 0.03 . 4 . . . . . 60 LYS HD2 . 17665 1 460 . 1 . 1 70 70 LYS CA C 13 59.29 0.12 . 1 . . . . . 60 LYS CA . 17665 1 461 . 1 . 1 70 70 LYS CB C 13 35.31 0.12 . 1 . . . . . 60 LYS CB . 17665 1 462 . 1 . 1 70 70 LYS N N 15 123.6 0.15 . 1 . . . . . 60 LYS N . 17665 1 463 . 1 . 1 71 71 GLU H H 1 8.179 0.03 . 1 . . . . . 61 GLU H . 17665 1 464 . 1 . 1 71 71 GLU HA H 1 4.069 0.03 . 1 . . . . . 61 GLU HA . 17665 1 465 . 1 . 1 71 71 GLU HB2 H 1 1.753 0.03 . 2 . . . . . 61 GLU HB2 . 17665 1 466 . 1 . 1 71 71 GLU HG2 H 1 2.083 0.03 . 2 . . . . . 61 GLU HG2 . 17665 1 467 . 1 . 1 71 71 GLU CA C 13 59.51 0.12 . 1 . . . . . 61 GLU CA . 17665 1 468 . 1 . 1 71 71 GLU CB C 13 30.74 0.12 . 1 . . . . . 61 GLU CB . 17665 1 469 . 1 . 1 71 71 GLU N N 15 121.7 0.15 . 1 . . . . . 61 GLU N . 17665 1 470 . 1 . 1 72 72 GLN H H 1 8.022 0.03 . 1 . . . . . 62 GLN H . 17665 1 471 . 1 . 1 72 72 GLN HA H 1 4.046 0.03 . 1 . . . . . 62 GLN HA . 17665 1 472 . 1 . 1 72 72 GLN HB2 H 1 1.678 0.03 . 2 . . . . . 62 GLN HB2 . 17665 1 473 . 1 . 1 72 72 GLN HB3 H 1 2.054 0.03 . 2 . . . . . 62 GLN HB3 . 17665 1 474 . 1 . 1 72 72 GLN CA C 13 58.31 0.12 . 1 . . . . . 62 GLN CA . 17665 1 475 . 1 . 1 72 72 GLN CB C 13 31.46 0.12 . 1 . . . . . 62 GLN CB . 17665 1 476 . 1 . 1 72 72 GLN N N 15 121.4 0.15 . 1 . . . . . 62 GLN N . 17665 1 477 . 1 . 1 73 73 VAL H H 1 7.960 0.03 . 1 . . . . . 63 VAL H . 17665 1 478 . 1 . 1 73 73 VAL HA H 1 3.979 0.03 . 1 . . . . . 63 VAL HA . 17665 1 479 . 1 . 1 73 73 VAL HB H 1 1.903 0.03 . 1 . . . . . 63 VAL HB . 17665 1 480 . 1 . 1 73 73 VAL HG11 H 1 0.790 0.03 . 2 . . . . . 63 VAL MG1 . 17665 1 481 . 1 . 1 73 73 VAL HG12 H 1 0.790 0.03 . 2 . . . . . 63 VAL MG1 . 17665 1 482 . 1 . 1 73 73 VAL HG13 H 1 0.790 0.03 . 2 . . . . . 63 VAL MG1 . 17665 1 483 . 1 . 1 73 73 VAL CA C 13 65.08 0.12 . 1 . . . . . 63 VAL CA . 17665 1 484 . 1 . 1 73 73 VAL CB C 13 32.50 0.12 . 1 . . . . . 63 VAL CB . 17665 1 485 . 1 . 1 73 73 VAL N N 15 121.8 0.15 . 1 . . . . . 63 VAL N . 17665 1 486 . 1 . 1 74 74 THR H H 1 8.040 0.03 . 1 . . . . . 64 THR H . 17665 1 487 . 1 . 1 74 74 THR HA H 1 4.186 0.03 . 1 . . . . . 64 THR HA . 17665 1 488 . 1 . 1 74 74 THR HB H 1 4.321 0.03 . 1 . . . . . 64 THR HB . 17665 1 489 . 1 . 1 74 74 THR HG21 H 1 1.037 0.03 . 1 . . . . . 64 THR MG . 17665 1 490 . 1 . 1 74 74 THR HG22 H 1 1.037 0.03 . 1 . . . . . 64 THR MG . 17665 1 491 . 1 . 1 74 74 THR HG23 H 1 1.037 0.03 . 1 . . . . . 64 THR MG . 17665 1 492 . 1 . 1 74 74 THR CA C 13 64.60 0.12 . 1 . . . . . 64 THR CA . 17665 1 493 . 1 . 1 74 74 THR CB C 13 72.96 0.12 . 1 . . . . . 64 THR CB . 17665 1 494 . 1 . 1 74 74 THR N N 15 117.4 0.15 . 1 . . . . . 64 THR N . 17665 1 495 . 1 . 1 75 75 ASN H H 1 8.243 0.03 . 1 . . . . . 65 ASN H . 17665 1 496 . 1 . 1 75 75 ASN HA H 1 4.411 0.03 . 1 . . . . . 65 ASN HA . 17665 1 497 . 1 . 1 75 75 ASN HB2 H 1 2.489 0.03 . 2 . . . . . 65 ASN HB2 . 17665 1 498 . 1 . 1 75 75 ASN HB3 H 1 2.445 0.03 . 2 . . . . . 65 ASN HB3 . 17665 1 499 . 1 . 1 75 75 ASN CA C 13 56.05 0.12 . 1 . . . . . 65 ASN CA . 17665 1 500 . 1 . 1 75 75 ASN CB C 13 41.72 0.12 . 1 . . . . . 65 ASN CB . 17665 1 501 . 1 . 1 75 75 ASN N N 15 121.3 0.15 . 1 . . . . . 65 ASN N . 17665 1 502 . 1 . 1 76 76 VAL H H 1 7.980 0.03 . 1 . . . . . 66 VAL H . 17665 1 503 . 1 . 1 76 76 VAL HA H 1 3.945 0.03 . 1 . . . . . 66 VAL HA . 17665 1 504 . 1 . 1 76 76 VAL HB H 1 1.917 0.03 . 1 . . . . . 66 VAL HB . 17665 1 505 . 1 . 1 76 76 VAL HG11 H 1 0.771 0.03 . 2 . . . . . 66 VAL MG1 . 17665 1 506 . 1 . 1 76 76 VAL HG12 H 1 0.771 0.03 . 2 . . . . . 66 VAL MG1 . 17665 1 507 . 1 . 1 76 76 VAL HG13 H 1 0.771 0.03 . 2 . . . . . 66 VAL MG1 . 17665 1 508 . 1 . 1 76 76 VAL HG21 H 1 0.758 0.03 . 2 . . . . . 66 VAL MG2 . 17665 1 509 . 1 . 1 76 76 VAL HG22 H 1 0.758 0.03 . 2 . . . . . 66 VAL MG2 . 17665 1 510 . 1 . 1 76 76 VAL HG23 H 1 0.758 0.03 . 2 . . . . . 66 VAL MG2 . 17665 1 511 . 1 . 1 76 76 VAL CA C 13 65.38 0.12 . 1 . . . . . 66 VAL CA . 17665 1 512 . 1 . 1 76 76 VAL CB C 13 35.25 0.12 . 1 . . . . . 66 VAL CB . 17665 1 513 . 1 . 1 76 76 VAL N N 15 120.3 0.15 . 1 . . . . . 66 VAL N . 17665 1 514 . 1 . 1 77 77 GLY H H 1 8.317 0.03 . 1 . . . . . 67 GLY H . 17665 1 515 . 1 . 1 77 77 GLY HA2 H 1 3.806 0.03 . 2 . . . . . 67 GLY HA2 . 17665 1 516 . 1 . 1 77 77 GLY CA C 13 48.13 0.12 . 1 . . . . . 67 GLY CA . 17665 1 517 . 1 . 1 77 77 GLY N N 15 112.2 0.15 . 1 . . . . . 67 GLY N . 17665 1 518 . 1 . 1 78 78 GLY H H 1 8.018 0.03 . 1 . . . . . 68 GLY H . 17665 1 519 . 1 . 1 78 78 GLY HA2 H 1 3.792 0.03 . 2 . . . . . 68 GLY HA2 . 17665 1 520 . 1 . 1 78 78 GLY CA C 13 47.89 0.12 . 1 . . . . . 68 GLY CA . 17665 1 521 . 1 . 1 78 78 GLY N N 15 108.5 0.15 . 1 . . . . . 68 GLY N . 17665 1 522 . 1 . 1 79 79 ALA H H 1 7.940 0.03 . 1 . . . . . 69 ALA H . 17665 1 523 . 1 . 1 79 79 ALA HA H 1 4.196 0.03 . 1 . . . . . 69 ALA HA . 17665 1 524 . 1 . 1 79 79 ALA HB1 H 1 1.196 0.03 . 1 . . . . . 69 ALA MB . 17665 1 525 . 1 . 1 79 79 ALA HB2 H 1 1.196 0.03 . 1 . . . . . 69 ALA MB . 17665 1 526 . 1 . 1 79 79 ALA HB3 H 1 1.196 0.03 . 1 . . . . . 69 ALA MB . 17665 1 527 . 1 . 1 79 79 ALA CA C 13 55.10 0.12 . 1 . . . . . 69 ALA CA . 17665 1 528 . 1 . 1 79 79 ALA CB C 13 21.89 0.12 . 1 . . . . . 69 ALA CB . 17665 1 529 . 1 . 1 79 79 ALA N N 15 124.7 0.15 . 1 . . . . . 69 ALA N . 17665 1 530 . 1 . 1 80 80 VAL H H 1 7.962 0.03 . 1 . . . . . 70 VAL H . 17665 1 531 . 1 . 1 80 80 VAL HA H 1 3.925 0.03 . 1 . . . . . 70 VAL HA . 17665 1 532 . 1 . 1 80 80 VAL HB H 1 1.877 0.03 . 1 . . . . . 70 VAL HB . 17665 1 533 . 1 . 1 80 80 VAL HG11 H 1 0.782 0.03 . 2 . . . . . 70 VAL MG1 . 17665 1 534 . 1 . 1 80 80 VAL HG12 H 1 0.782 0.03 . 2 . . . . . 70 VAL MG1 . 17665 1 535 . 1 . 1 80 80 VAL HG13 H 1 0.782 0.03 . 2 . . . . . 70 VAL MG1 . 17665 1 536 . 1 . 1 80 80 VAL HG21 H 1 0.760 0.03 . 2 . . . . . 70 VAL MG2 . 17665 1 537 . 1 . 1 80 80 VAL HG22 H 1 0.760 0.03 . 2 . . . . . 70 VAL MG2 . 17665 1 538 . 1 . 1 80 80 VAL HG23 H 1 0.760 0.03 . 2 . . . . . 70 VAL MG2 . 17665 1 539 . 1 . 1 80 80 VAL CA C 13 65.19 0.12 . 1 . . . . . 70 VAL CA . 17665 1 540 . 1 . 1 80 80 VAL CB C 13 34.33 0.12 . 1 . . . . . 70 VAL CB . 17665 1 541 . 1 . 1 80 80 VAL N N 15 119.9 0.15 . 1 . . . . . 70 VAL N . 17665 1 542 . 1 . 1 81 81 VAL H H 1 8.122 0.03 . 1 . . . . . 71 VAL H . 17665 1 543 . 1 . 1 81 81 VAL HA H 1 4.053 0.03 . 1 . . . . . 71 VAL HA . 17665 1 544 . 1 . 1 81 81 VAL HB H 1 1.913 0.03 . 1 . . . . . 71 VAL HB . 17665 1 545 . 1 . 1 81 81 VAL HG11 H 1 0.764 0.03 . 2 . . . . . 71 VAL MG1 . 17665 1 546 . 1 . 1 81 81 VAL HG12 H 1 0.764 0.03 . 2 . . . . . 71 VAL MG1 . 17665 1 547 . 1 . 1 81 81 VAL HG13 H 1 0.764 0.03 . 2 . . . . . 71 VAL MG1 . 17665 1 548 . 1 . 1 81 81 VAL HG21 H 1 0.758 0.03 . 2 . . . . . 71 VAL MG2 . 17665 1 549 . 1 . 1 81 81 VAL HG22 H 1 0.758 0.03 . 2 . . . . . 71 VAL MG2 . 17665 1 550 . 1 . 1 81 81 VAL HG23 H 1 0.758 0.03 . 2 . . . . . 71 VAL MG2 . 17665 1 551 . 1 . 1 81 81 VAL CA C 13 64.98 0.12 . 1 . . . . . 71 VAL CA . 17665 1 552 . 1 . 1 81 81 VAL CB C 13 35.82 0.12 . 1 . . . . . 71 VAL CB . 17665 1 553 . 1 . 1 81 81 VAL N N 15 124.6 0.15 . 1 . . . . . 71 VAL N . 17665 1 554 . 1 . 1 82 82 THR H H 1 8.043 0.03 . 1 . . . . . 72 THR H . 17665 1 555 . 1 . 1 82 82 THR HA H 1 4.206 0.03 . 1 . . . . . 72 THR HA . 17665 1 556 . 1 . 1 82 82 THR HB H 1 4.378 0.03 . 1 . . . . . 72 THR HB . 17665 1 557 . 1 . 1 82 82 THR HG21 H 1 1.044 0.03 . 1 . . . . . 72 THR MG . 17665 1 558 . 1 . 1 82 82 THR HG22 H 1 1.044 0.03 . 1 . . . . . 72 THR MG . 17665 1 559 . 1 . 1 82 82 THR HG23 H 1 1.044 0.03 . 1 . . . . . 72 THR MG . 17665 1 560 . 1 . 1 82 82 THR CA C 13 65.07 0.12 . 1 . . . . . 72 THR CA . 17665 1 561 . 1 . 1 82 82 THR CB C 13 67.09 0.12 . 1 . . . . . 72 THR CB . 17665 1 562 . 1 . 1 82 82 THR N N 15 117.5 0.15 . 1 . . . . . 72 THR N . 17665 1 563 . 1 . 1 83 83 GLY H H 1 8.200 0.03 . 1 . . . . . 73 GLY H . 17665 1 564 . 1 . 1 83 83 GLY HA2 H 1 3.836 0.03 . 2 . . . . . 73 GLY HA2 . 17665 1 565 . 1 . 1 83 83 GLY CA C 13 48.06 0.12 . 1 . . . . . 73 GLY CA . 17665 1 566 . 1 . 1 83 83 GLY N N 15 110.8 0.15 . 1 . . . . . 73 GLY N . 17665 1 567 . 1 . 1 84 84 VAL H H 1 7.844 0.03 . 1 . . . . . 74 VAL H . 17665 1 568 . 1 . 1 84 84 VAL HA H 1 3.917 0.03 . 1 . . . . . 74 VAL HA . 17665 1 569 . 1 . 1 84 84 VAL HB H 1 1.909 0.03 . 1 . . . . . 74 VAL HB . 17665 1 570 . 1 . 1 84 84 VAL HG11 H 1 0.768 0.03 . 2 . . . . . 74 VAL MG1 . 17665 1 571 . 1 . 1 84 84 VAL HG12 H 1 0.768 0.03 . 2 . . . . . 74 VAL MG1 . 17665 1 572 . 1 . 1 84 84 VAL HG13 H 1 0.768 0.03 . 2 . . . . . 74 VAL MG1 . 17665 1 573 . 1 . 1 84 84 VAL HG21 H 1 0.755 0.03 . 2 . . . . . 74 VAL MG2 . 17665 1 574 . 1 . 1 84 84 VAL HG22 H 1 0.755 0.03 . 2 . . . . . 74 VAL MG2 . 17665 1 575 . 1 . 1 84 84 VAL HG23 H 1 0.755 0.03 . 2 . . . . . 74 VAL MG2 . 17665 1 576 . 1 . 1 84 84 VAL CA C 13 65.07 0.12 . 1 . . . . . 74 VAL CA . 17665 1 577 . 1 . 1 84 84 VAL CB C 13 35.66 0.12 . 1 . . . . . 74 VAL CB . 17665 1 578 . 1 . 1 84 84 VAL N N 15 119.2 0.15 . 1 . . . . . 74 VAL N . 17665 1 579 . 1 . 1 85 85 THR H H 1 8.048 0.03 . 1 . . . . . 75 THR H . 17665 1 580 . 1 . 1 85 85 THR HA H 1 4.189 0.03 . 1 . . . . . 75 THR HA . 17665 1 581 . 1 . 1 85 85 THR HB H 1 4.326 0.03 . 1 . . . . . 75 THR HB . 17665 1 582 . 1 . 1 85 85 THR HG21 H 1 1.047 0.03 . 1 . . . . . 75 THR MG . 17665 1 583 . 1 . 1 85 85 THR HG22 H 1 1.047 0.03 . 1 . . . . . 75 THR MG . 17665 1 584 . 1 . 1 85 85 THR HG23 H 1 1.047 0.03 . 1 . . . . . 75 THR MG . 17665 1 585 . 1 . 1 85 85 THR CA C 13 64.58 0.12 . 1 . . . . . 75 THR CA . 17665 1 586 . 1 . 1 85 85 THR CB C 13 72.96 0.12 . 1 . . . . . 75 THR CB . 17665 1 587 . 1 . 1 85 85 THR N N 15 118.2 0.15 . 1 . . . . . 75 THR N . 17665 1 588 . 1 . 1 86 86 ALA H H 1 8.116 0.03 . 1 . . . . . 76 ALA H . 17665 1 589 . 1 . 1 86 86 ALA HA H 1 4.112 0.03 . 1 . . . . . 76 ALA HA . 17665 1 590 . 1 . 1 86 86 ALA HB1 H 1 1.195 0.03 . 1 . . . . . 76 ALA MB . 17665 1 591 . 1 . 1 86 86 ALA HB2 H 1 1.195 0.03 . 1 . . . . . 76 ALA MB . 17665 1 592 . 1 . 1 86 86 ALA HB3 H 1 1.195 0.03 . 1 . . . . . 76 ALA MB . 17665 1 593 . 1 . 1 86 86 ALA CA C 13 55.21 0.12 . 1 . . . . . 76 ALA CA . 17665 1 594 . 1 . 1 86 86 ALA CB C 13 21.94 0.12 . 1 . . . . . 76 ALA CB . 17665 1 595 . 1 . 1 86 86 ALA N N 15 126.9 0.15 . 1 . . . . . 76 ALA N . 17665 1 596 . 1 . 1 87 87 VAL H H 1 7.877 0.03 . 1 . . . . . 77 VAL H . 17665 1 597 . 1 . 1 87 87 VAL HA H 1 3.888 0.03 . 1 . . . . . 77 VAL HA . 17665 1 598 . 1 . 1 87 87 VAL HB H 1 1.889 0.03 . 1 . . . . . 77 VAL HB . 17665 1 599 . 1 . 1 87 87 VAL HG11 H 1 0.773 0.03 . 2 . . . . . 77 VAL MG1 . 17665 1 600 . 1 . 1 87 87 VAL HG12 H 1 0.773 0.03 . 2 . . . . . 77 VAL MG1 . 17665 1 601 . 1 . 1 87 87 VAL HG13 H 1 0.773 0.03 . 2 . . . . . 77 VAL MG1 . 17665 1 602 . 1 . 1 87 87 VAL CA C 13 65.05 0.12 . 1 . . . . . 77 VAL CA . 17665 1 603 . 1 . 1 87 87 VAL CB C 13 35.66 0.12 . 1 . . . . . 77 VAL CB . 17665 1 604 . 1 . 1 87 87 VAL N N 15 119.3 0.15 . 1 . . . . . 77 VAL N . 17665 1 605 . 1 . 1 88 88 ALA H H 1 8.143 0.03 . 1 . . . . . 78 ALA H . 17665 1 606 . 1 . 1 88 88 ALA HA H 1 4.125 0.03 . 1 . . . . . 78 ALA HA . 17665 1 607 . 1 . 1 88 88 ALA HB1 H 1 1.196 0.03 . 1 . . . . . 78 ALA MB . 17665 1 608 . 1 . 1 88 88 ALA HB2 H 1 1.196 0.03 . 1 . . . . . 78 ALA MB . 17665 1 609 . 1 . 1 88 88 ALA HB3 H 1 1.196 0.03 . 1 . . . . . 78 ALA MB . 17665 1 610 . 1 . 1 88 88 ALA CA C 13 55.30 0.12 . 1 . . . . . 78 ALA CA . 17665 1 611 . 1 . 1 88 88 ALA CB C 13 21.49 0.12 . 1 . . . . . 78 ALA CB . 17665 1 612 . 1 . 1 88 88 ALA N N 15 127.5 0.15 . 1 . . . . . 78 ALA N . 17665 1 613 . 1 . 1 89 89 GLN H H 1 8.217 0.03 . 1 . . . . . 79 GLN H . 17665 1 614 . 1 . 1 89 89 GLN HA H 1 4.081 0.03 . 1 . . . . . 79 GLN HA . 17665 1 615 . 1 . 1 89 89 GLN HB2 H 1 1.630 0.03 . 2 . . . . . 79 GLN HB2 . 17665 1 616 . 1 . 1 89 89 GLN HB3 H 1 1.805 0.03 . 2 . . . . . 79 GLN HB3 . 17665 1 617 . 1 . 1 89 89 GLN HG2 H 1 2.134 0.03 . 2 . . . . . 79 GLN HG2 . 17665 1 618 . 1 . 1 89 89 GLN CA C 13 59.22 0.12 . 1 . . . . . 79 GLN CA . 17665 1 619 . 1 . 1 89 89 GLN CB C 13 31.47 0.12 . 1 . . . . . 79 GLN CB . 17665 1 620 . 1 . 1 89 89 GLN N N 15 120.1 0.15 . 1 . . . . . 79 GLN N . 17665 1 621 . 1 . 1 90 90 LYS H H 1 8.195 0.03 . 1 . . . . . 80 LYS H . 17665 1 622 . 1 . 1 90 90 LYS HA H 1 4.127 0.03 . 1 . . . . . 80 LYS HA . 17665 1 623 . 1 . 1 90 90 LYS HB2 H 1 1.616 0.03 . 2 . . . . . 80 LYS HB2 . 17665 1 624 . 1 . 1 90 90 LYS CA C 13 59.17 0.12 . 1 . . . . . 80 LYS CA . 17665 1 625 . 1 . 1 90 90 LYS CB C 13 35.28 0.12 . 1 . . . . . 80 LYS CB . 17665 1 626 . 1 . 1 90 90 LYS N N 15 123.2 0.15 . 1 . . . . . 80 LYS N . 17665 1 627 . 1 . 1 91 91 THR H H 1 8.036 0.03 . 1 . . . . . 81 THR H . 17665 1 628 . 1 . 1 91 91 THR HA H 1 4.209 0.03 . 1 . . . . . 81 THR HA . 17665 1 629 . 1 . 1 91 91 THR HB H 1 4.209 0.03 . 1 . . . . . 81 THR HB . 17665 1 630 . 1 . 1 91 91 THR HG21 H 1 1.038 0.03 . 1 . . . . . 81 THR MG . 17665 1 631 . 1 . 1 91 91 THR HG22 H 1 1.038 0.03 . 1 . . . . . 81 THR MG . 17665 1 632 . 1 . 1 91 91 THR HG23 H 1 1.038 0.03 . 1 . . . . . 81 THR MG . 17665 1 633 . 1 . 1 91 91 THR CA C 13 64.70 0.12 . 1 . . . . . 81 THR CA . 17665 1 634 . 1 . 1 91 91 THR CB C 13 72.70 0.12 . 1 . . . . . 81 THR CB . 17665 1 635 . 1 . 1 91 91 THR N N 15 114.9 0.15 . 1 . . . . . 81 THR N . 17665 1 636 . 1 . 1 92 92 VAL H H 1 7.956 0.03 . 1 . . . . . 82 VAL H . 17665 1 637 . 1 . 1 92 92 VAL HA H 1 4.011 0.03 . 1 . . . . . 82 VAL HA . 17665 1 638 . 1 . 1 92 92 VAL HB H 1 1.802 0.03 . 1 . . . . . 82 VAL HB . 17665 1 639 . 1 . 1 92 92 VAL HG11 H 1 0.732 0.03 . 2 . . . . . 82 VAL MG1 . 17665 1 640 . 1 . 1 92 92 VAL HG12 H 1 0.732 0.03 . 2 . . . . . 82 VAL MG1 . 17665 1 641 . 1 . 1 92 92 VAL HG13 H 1 0.732 0.03 . 2 . . . . . 82 VAL MG1 . 17665 1 642 . 1 . 1 92 92 VAL CA C 13 65.04 0.12 . 1 . . . . . 82 VAL CA . 17665 1 643 . 1 . 1 92 92 VAL CB C 13 35.79 0.12 . 1 . . . . . 82 VAL CB . 17665 1 644 . 1 . 1 92 92 VAL N N 15 122.8 0.15 . 1 . . . . . 82 VAL N . 17665 1 645 . 1 . 1 93 93 GLU H H 1 8.330 0.03 . 1 . . . . . 83 GLU H . 17665 1 646 . 1 . 1 93 93 GLU HA H 1 4.111 0.03 . 1 . . . . . 83 GLU HA . 17665 1 647 . 1 . 1 93 93 GLU HB2 H 1 1.796 0.03 . 2 . . . . . 83 GLU HB2 . 17665 1 648 . 1 . 1 93 93 GLU HG2 H 1 2.073 0.03 . 2 . . . . . 83 GLU HG2 . 17665 1 649 . 1 . 1 93 93 GLU CA C 13 59.61 0.12 . 1 . . . . . 83 GLU CA . 17665 1 650 . 1 . 1 93 93 GLU CB C 13 32.89 0.12 . 1 . . . . . 83 GLU CB . 17665 1 651 . 1 . 1 93 93 GLU N N 15 124.6 0.15 . 1 . . . . . 83 GLU N . 17665 1 652 . 1 . 1 94 94 GLY H H 1 8.195 0.03 . 1 . . . . . 84 GLY H . 17665 1 653 . 1 . 1 94 94 GLY HA2 H 1 3.761 0.03 . 2 . . . . . 84 GLY HA2 . 17665 1 654 . 1 . 1 94 94 GLY CA C 13 47.88 0.12 . 1 . . . . . 84 GLY CA . 17665 1 655 . 1 . 1 94 94 GLY N N 15 109.8 0.15 . 1 . . . . . 84 GLY N . 17665 1 656 . 1 . 1 95 95 ALA H H 1 8.032 0.03 . 1 . . . . . 85 ALA H . 17665 1 657 . 1 . 1 95 95 ALA HA H 1 3.901 0.03 . 1 . . . . . 85 ALA HA . 17665 1 658 . 1 . 1 95 95 ALA HB1 H 1 1.235 0.03 . 1 . . . . . 85 ALA MB . 17665 1 659 . 1 . 1 95 95 ALA HB2 H 1 1.235 0.03 . 1 . . . . . 85 ALA MB . 17665 1 660 . 1 . 1 95 95 ALA HB3 H 1 1.235 0.03 . 1 . . . . . 85 ALA MB . 17665 1 661 . 1 . 1 95 95 ALA CA C 13 55.54 0.12 . 1 . . . . . 85 ALA CA . 17665 1 662 . 1 . 1 95 95 ALA CB C 13 21.83 0.12 . 1 . . . . . 85 ALA CB . 17665 1 663 . 1 . 1 95 95 ALA N N 15 123.7 0.15 . 1 . . . . . 85 ALA N . 17665 1 664 . 1 . 1 96 96 GLY H H 1 8.260 0.03 . 1 . . . . . 86 GLY H . 17665 1 665 . 1 . 1 96 96 GLY HA2 H 1 3.793 0.03 . 2 . . . . . 86 GLY HA2 . 17665 1 666 . 1 . 1 96 96 GLY CA C 13 48.07 0.12 . 1 . . . . . 86 GLY CA . 17665 1 667 . 1 . 1 96 96 GLY N N 15 107.8 0.15 . 1 . . . . . 86 GLY N . 17665 1 668 . 1 . 1 97 97 SER H H 1 7.934 0.03 . 1 . . . . . 87 SER H . 17665 1 669 . 1 . 1 97 97 SER HA H 1 4.290 0.03 . 1 . . . . . 87 SER HA . 17665 1 670 . 1 . 1 97 97 SER CA C 13 61.07 0.12 . 1 . . . . . 87 SER CA . 17665 1 671 . 1 . 1 97 97 SER CB C 13 66.66 0.12 . 1 . . . . . 87 SER CB . 17665 1 672 . 1 . 1 97 97 SER N N 15 115.4 0.15 . 1 . . . . . 87 SER N . 17665 1 673 . 1 . 1 98 98 ILE H H 1 7.957 0.03 . 1 . . . . . 88 ILE H . 17665 1 674 . 1 . 1 98 98 ILE HA H 1 4.021 0.03 . 1 . . . . . 88 ILE HA . 17665 1 675 . 1 . 1 98 98 ILE HB H 1 1.721 0.03 . 1 . . . . . 88 ILE HB . 17665 1 676 . 1 . 1 98 98 ILE HG12 H 1 1.215 0.03 . 2 . . . . . 88 ILE HG12 . 17665 1 677 . 1 . 1 98 98 ILE HG21 H 1 0.765 0.03 . 1 . . . . . 88 ILE MG . 17665 1 678 . 1 . 1 98 98 ILE HG22 H 1 0.765 0.03 . 1 . . . . . 88 ILE MG . 17665 1 679 . 1 . 1 98 98 ILE HG23 H 1 0.765 0.03 . 1 . . . . . 88 ILE MG . 17665 1 680 . 1 . 1 98 98 ILE CA C 13 64.59 0.12 . 1 . . . . . 88 ILE CA . 17665 1 681 . 1 . 1 98 98 ILE CB C 13 35.45 0.12 . 1 . . . . . 88 ILE CB . 17665 1 682 . 1 . 1 98 98 ILE N N 15 122.5 0.15 . 1 . . . . . 88 ILE N . 17665 1 683 . 1 . 1 99 99 ALA H H 1 8.119 0.03 . 1 . . . . . 89 ALA H . 17665 1 684 . 1 . 1 99 99 ALA HA H 1 4.120 0.03 . 1 . . . . . 89 ALA HA . 17665 1 685 . 1 . 1 99 99 ALA HB1 H 1 1.206 0.03 . 1 . . . . . 89 ALA MB . 17665 1 686 . 1 . 1 99 99 ALA HB2 H 1 1.206 0.03 . 1 . . . . . 89 ALA MB . 17665 1 687 . 1 . 1 99 99 ALA HB3 H 1 1.206 0.03 . 1 . . . . . 89 ALA MB . 17665 1 688 . 1 . 1 99 99 ALA CA C 13 55.14 0.12 . 1 . . . . . 89 ALA CA . 17665 1 689 . 1 . 1 99 99 ALA CB C 13 21.86 0.12 . 1 . . . . . 89 ALA CB . 17665 1 690 . 1 . 1 99 99 ALA N N 15 127.4 0.15 . 1 . . . . . 89 ALA N . 17665 1 691 . 1 . 1 100 100 ALA H H 1 8.040 0.03 . 1 . . . . . 90 ALA H . 17665 1 692 . 1 . 1 100 100 ALA HA H 1 3.921 0.03 . 1 . . . . . 90 ALA HA . 17665 1 693 . 1 . 1 100 100 ALA HB1 H 1 1.235 0.03 . 1 . . . . . 90 ALA MB . 17665 1 694 . 1 . 1 100 100 ALA HB2 H 1 1.235 0.03 . 1 . . . . . 90 ALA MB . 17665 1 695 . 1 . 1 100 100 ALA HB3 H 1 1.235 0.03 . 1 . . . . . 90 ALA MB . 17665 1 696 . 1 . 1 100 100 ALA CA C 13 55.31 0.12 . 1 . . . . . 90 ALA CA . 17665 1 697 . 1 . 1 100 100 ALA CB C 13 21.70 0.12 . 1 . . . . . 90 ALA CB . 17665 1 698 . 1 . 1 100 100 ALA N N 15 123.0 0.15 . 1 . . . . . 90 ALA N . 17665 1 699 . 1 . 1 101 101 ALA H H 1 8.030 0.03 . 1 . . . . . 91 ALA H . 17665 1 700 . 1 . 1 101 101 ALA HA H 1 3.922 0.03 . 1 . . . . . 91 ALA HA . 17665 1 701 . 1 . 1 101 101 ALA HB1 H 1 1.244 0.03 . 1 . . . . . 91 ALA MB . 17665 1 702 . 1 . 1 101 101 ALA HB2 H 1 1.244 0.03 . 1 . . . . . 91 ALA MB . 17665 1 703 . 1 . 1 101 101 ALA HB3 H 1 1.244 0.03 . 1 . . . . . 91 ALA MB . 17665 1 704 . 1 . 1 101 101 ALA CA C 13 55.49 0.12 . 1 . . . . . 91 ALA CA . 17665 1 705 . 1 . 1 101 101 ALA CB C 13 21.88 0.12 . 1 . . . . . 91 ALA CB . 17665 1 706 . 1 . 1 101 101 ALA N N 15 123.0 0.15 . 1 . . . . . 91 ALA N . 17665 1 707 . 1 . 1 102 102 THR H H 1 7.838 0.03 . 1 . . . . . 92 THR H . 17665 1 708 . 1 . 1 102 102 THR HA H 1 4.142 0.03 . 1 . . . . . 92 THR HA . 17665 1 709 . 1 . 1 102 102 THR HG21 H 1 1.037 0.03 . 1 . . . . . 92 THR MG . 17665 1 710 . 1 . 1 102 102 THR HG22 H 1 1.037 0.03 . 1 . . . . . 92 THR MG . 17665 1 711 . 1 . 1 102 102 THR HG23 H 1 1.037 0.03 . 1 . . . . . 92 THR MG . 17665 1 712 . 1 . 1 102 102 THR CA C 13 59.95 0.12 . 1 . . . . . 92 THR CA . 17665 1 713 . 1 . 1 102 102 THR CB C 13 70.26 0.12 . 1 . . . . . 92 THR CB . 17665 1 714 . 1 . 1 102 102 THR N N 15 112.0 0.15 . 1 . . . . . 92 THR N . 17665 1 715 . 1 . 1 103 103 GLY H H 1 8.077 0.03 . 1 . . . . . 93 GLY H . 17665 1 716 . 1 . 1 103 103 GLY HA2 H 1 3.762 0.03 . 2 . . . . . 93 GLY HA2 . 17665 1 717 . 1 . 1 103 103 GLY CA C 13 48.03 0.12 . 1 . . . . . 93 GLY CA . 17665 1 718 . 1 . 1 103 103 GLY N N 15 110.4 0.15 . 1 . . . . . 93 GLY N . 17665 1 719 . 1 . 1 104 104 PHE H H 1 7.827 0.03 . 1 . . . . . 94 PHE H . 17665 1 720 . 1 . 1 104 104 PHE HA H 1 4.754 0.03 . 1 . . . . . 94 PHE HA . 17665 1 721 . 1 . 1 104 104 PHE HB2 H 1 2.835 0.03 . 2 . . . . . 94 PHE HB2 . 17665 1 722 . 1 . 1 104 104 PHE HB3 H 1 2.934 0.03 . 2 . . . . . 94 PHE HB3 . 17665 1 723 . 1 . 1 104 104 PHE CA C 13 60.50 0.12 . 1 . . . . . 94 PHE CA . 17665 1 724 . 1 . 1 104 104 PHE CB C 13 41.85 0.12 . 1 . . . . . 94 PHE CB . 17665 1 725 . 1 . 1 104 104 PHE N N 15 120.1 0.15 . 1 . . . . . 94 PHE N . 17665 1 726 . 1 . 1 105 105 VAL H H 1 7.830 0.03 . 1 . . . . . 95 VAL H . 17665 1 727 . 1 . 1 105 105 VAL HA H 1 3.862 0.03 . 1 . . . . . 95 VAL HA . 17665 1 728 . 1 . 1 105 105 VAL CA C 13 64.79 0.12 . 1 . . . . . 95 VAL CA . 17665 1 729 . 1 . 1 105 105 VAL CB C 13 34.85 0.12 . 1 . . . . . 95 VAL CB . 17665 1 730 . 1 . 1 105 105 VAL N N 15 122.9 0.15 . 1 . . . . . 95 VAL N . 17665 1 731 . 1 . 1 106 106 LYS H H 1 8.152 0.03 . 1 . . . . . 96 LYS H . 17665 1 732 . 1 . 1 106 106 LYS HA H 1 4.210 0.03 . 1 . . . . . 96 LYS HA . 17665 1 733 . 1 . 1 106 106 LYS HB2 H 1 1.614 0.03 . 4 . . . . . 96 LYS HB2 . 17665 1 734 . 1 . 1 106 106 LYS HG2 H 1 1.637 0.03 . 4 . . . . . 96 LYS HG2 . 17665 1 735 . 1 . 1 106 106 LYS HD2 H 1 1.481 0.03 . 2 . . . . . 96 LYS HD2 . 17665 1 736 . 1 . 1 106 106 LYS CA C 13 59.08 0.12 . 1 . . . . . 96 LYS CA . 17665 1 737 . 1 . 1 106 106 LYS CB C 13 35.61 0.12 . 1 . . . . . 96 LYS CB . 17665 1 738 . 1 . 1 106 106 LYS N N 15 125.9 0.15 . 1 . . . . . 96 LYS N . 17665 1 739 . 1 . 1 107 107 LYS H H 1 8.232 0.03 . 1 . . . . . 97 LYS H . 17665 1 740 . 1 . 1 107 107 LYS HA H 1 4.119 0.03 . 1 . . . . . 97 LYS HA . 17665 1 741 . 1 . 1 107 107 LYS HB2 H 1 1.614 0.03 . 2 . . . . . 97 LYS HB2 . 17665 1 742 . 1 . 1 107 107 LYS HG2 H 1 1.628 0.03 . 2 . . . . . 97 LYS HG2 . 17665 1 743 . 1 . 1 107 107 LYS HG3 H 1 1.591 0.03 . 2 . . . . . 97 LYS HG3 . 17665 1 744 . 1 . 1 107 107 LYS HD2 H 1 1.503 0.03 . 2 . . . . . 97 LYS HD2 . 17665 1 745 . 1 . 1 107 107 LYS HE2 H 1 2.930 0.03 . 2 . . . . . 97 LYS HE2 . 17665 1 746 . 1 . 1 107 107 LYS CA C 13 59.27 0.12 . 1 . . . . . 97 LYS CA . 17665 1 747 . 1 . 1 107 107 LYS CB C 13 35.51 0.12 . 1 . . . . . 97 LYS CB . 17665 1 748 . 1 . 1 107 107 LYS N N 15 123.5 0.15 . 1 . . . . . 97 LYS N . 17665 1 749 . 1 . 1 108 108 ASP H H 1 8.176 0.03 . 1 . . . . . 98 ASP H . 17665 1 750 . 1 . 1 108 108 ASP HA H 1 4.454 0.03 . 1 . . . . . 98 ASP HA . 17665 1 751 . 1 . 1 108 108 ASP HB2 H 1 2.532 0.03 . 2 . . . . . 98 ASP HB2 . 17665 1 752 . 1 . 1 108 108 ASP HB3 H 1 2.443 0.03 . 2 . . . . . 98 ASP HB3 . 17665 1 753 . 1 . 1 108 108 ASP CA C 13 57.24 0.12 . 1 . . . . . 98 ASP CA . 17665 1 754 . 1 . 1 108 108 ASP CB C 13 42.44 0.12 . 1 . . . . . 98 ASP CB . 17665 1 755 . 1 . 1 108 108 ASP N N 15 121.1 0.15 . 1 . . . . . 98 ASP N . 17665 1 756 . 1 . 1 109 109 GLN H H 1 8.105 0.03 . 1 . . . . . 99 GLN H . 17665 1 757 . 1 . 1 109 109 GLN HA H 1 4.087 0.03 . 1 . . . . . 99 GLN HA . 17665 1 758 . 1 . 1 109 109 GLN HB2 H 1 1.796 0.03 . 2 . . . . . 99 GLN HB2 . 17665 1 759 . 1 . 1 109 109 GLN HG2 H 1 2.186 0.03 . 2 . . . . . 99 GLN HG2 . 17665 1 760 . 1 . 1 109 109 GLN CA C 13 58.64 0.12 . 1 . . . . . 99 GLN CA . 17665 1 761 . 1 . 1 109 109 GLN CB C 13 31.03 0.12 . 1 . . . . . 99 GLN CB . 17665 1 762 . 1 . 1 109 109 GLN N N 15 119.7 0.15 . 1 . . . . . 99 GLN N . 17665 1 763 . 1 . 1 110 110 LEU H H 1 8.075 0.03 . 1 . . . . . 100 LEU H . 17665 1 764 . 1 . 1 110 110 LEU HA H 1 4.158 0.03 . 1 . . . . . 100 LEU HA . 17665 1 765 . 1 . 1 110 110 LEU HB2 H 1 1.530 0.03 . 2 . . . . . 100 LEU HB2 . 17665 1 766 . 1 . 1 110 110 LEU HB3 H 1 1.431 0.03 . 2 . . . . . 100 LEU HB3 . 17665 1 767 . 1 . 1 110 110 LEU HD11 H 1 0.714 0.03 . 2 . . . . . 100 LEU MD1 . 17665 1 768 . 1 . 1 110 110 LEU HD12 H 1 0.714 0.03 . 2 . . . . . 100 LEU MD1 . 17665 1 769 . 1 . 1 110 110 LEU HD13 H 1 0.714 0.03 . 2 . . . . . 100 LEU MD1 . 17665 1 770 . 1 . 1 110 110 LEU HD21 H 1 0.676 0.03 . 2 . . . . . 100 LEU MD2 . 17665 1 771 . 1 . 1 110 110 LEU HD22 H 1 0.676 0.03 . 2 . . . . . 100 LEU MD2 . 17665 1 772 . 1 . 1 110 110 LEU HD23 H 1 0.676 0.03 . 2 . . . . . 100 LEU MD2 . 17665 1 773 . 1 . 1 110 110 LEU CA C 13 58.20 0.12 . 1 . . . . . 100 LEU CA . 17665 1 774 . 1 . 1 110 110 LEU CB C 13 45.35 0.12 . 1 . . . . . 100 LEU CB . 17665 1 775 . 1 . 1 110 110 LEU N N 15 122.7 0.15 . 1 . . . . . 100 LEU N . 17665 1 776 . 1 . 1 111 111 GLY H H 1 8.248 0.03 . 1 . . . . . 101 GLY H . 17665 1 777 . 1 . 1 111 111 GLY HA2 H 1 3.787 0.03 . 2 . . . . . 101 GLY HA2 . 17665 1 778 . 1 . 1 111 111 GLY HA3 H 1 3.803 0.03 . 2 . . . . . 101 GLY HA3 . 17665 1 779 . 1 . 1 111 111 GLY CA C 13 48.10 0.12 . 1 . . . . . 101 GLY CA . 17665 1 780 . 1 . 1 111 111 GLY N N 15 109.5 0.15 . 1 . . . . . 101 GLY N . 17665 1 781 . 1 . 1 112 112 LYS H H 1 7.984 0.03 . 1 . . . . . 102 LYS H . 17665 1 782 . 1 . 1 112 112 LYS HA H 1 4.178 0.03 . 1 . . . . . 102 LYS HA . 17665 1 783 . 1 . 1 112 112 LYS HB2 H 1 1.872 0.03 . 2 . . . . . 102 LYS HB2 . 17665 1 784 . 1 . 1 112 112 LYS HB3 H 1 1.829 0.03 . 2 . . . . . 102 LYS HB3 . 17665 1 785 . 1 . 1 112 112 LYS HG2 H 1 1.655 0.03 . 2 . . . . . 102 LYS HG2 . 17665 1 786 . 1 . 1 112 112 LYS HG3 H 1 1.582 0.03 . 2 . . . . . 102 LYS HG3 . 17665 1 787 . 1 . 1 112 112 LYS HD2 H 1 1.499 0.03 . 2 . . . . . 102 LYS HD2 . 17665 1 788 . 1 . 1 112 112 LYS CA C 13 58.99 0.12 . 1 . . . . . 102 LYS CA . 17665 1 789 . 1 . 1 112 112 LYS CB C 13 35.50 0.12 . 1 . . . . . 102 LYS CB . 17665 1 790 . 1 . 1 112 112 LYS N N 15 120.5 0.15 . 1 . . . . . 102 LYS N . 17665 1 791 . 1 . 1 113 113 ASN H H 1 8.385 0.03 . 1 . . . . . 103 ASN H . 17665 1 792 . 1 . 1 113 113 ASN HA H 1 4.522 0.03 . 1 . . . . . 103 ASN HA . 17665 1 793 . 1 . 1 113 113 ASN HB2 H 1 2.658 0.03 . 2 . . . . . 103 ASN HB2 . 17665 1 794 . 1 . 1 113 113 ASN HB3 H 1 2.589 0.03 . 2 . . . . . 103 ASN HB3 . 17665 1 795 . 1 . 1 113 113 ASN CA C 13 56.09 0.12 . 1 . . . . . 103 ASN CA . 17665 1 796 . 1 . 1 113 113 ASN CB C 13 41.47 0.12 . 1 . . . . . 103 ASN CB . 17665 1 797 . 1 . 1 113 113 ASN N N 15 119.6 0.15 . 1 . . . . . 103 ASN N . 17665 1 798 . 1 . 1 114 114 GLU H H 1 8.250 0.03 . 1 . . . . . 104 GLU H . 17665 1 799 . 1 . 1 114 114 GLU HA H 1 4.157 0.03 . 1 . . . . . 104 GLU HA . 17665 1 800 . 1 . 1 114 114 GLU HB2 H 1 1.742 0.03 . 2 . . . . . 104 GLU HB2 . 17665 1 801 . 1 . 1 114 114 GLU HG2 H 1 2.092 0.03 . 2 . . . . . 104 GLU HG2 . 17665 1 802 . 1 . 1 114 114 GLU CA C 13 57.25 0.12 . 1 . . . . . 104 GLU CA . 17665 1 803 . 1 . 1 114 114 GLU CB C 13 30.51 0.12 . 1 . . . . . 104 GLU CB . 17665 1 804 . 1 . 1 114 114 GLU N N 15 121.2 0.15 . 1 . . . . . 104 GLU N . 17665 1 805 . 1 . 1 115 115 GLU H H 1 8.228 0.03 . 1 . . . . . 105 GLU H . 17665 1 806 . 1 . 1 115 115 GLU HA H 1 4.134 0.03 . 1 . . . . . 105 GLU HA . 17665 1 807 . 1 . 1 115 115 GLU HB2 H 1 1.771 0.03 . 2 . . . . . 105 GLU HB2 . 17665 1 808 . 1 . 1 115 115 GLU HB3 H 1 1.867 0.03 . 2 . . . . . 105 GLU HB3 . 17665 1 809 . 1 . 1 115 115 GLU HG2 H 1 2.094 0.03 . 2 . . . . . 105 GLU HG2 . 17665 1 810 . 1 . 1 115 115 GLU CA C 13 59.62 0.12 . 1 . . . . . 105 GLU CA . 17665 1 811 . 1 . 1 115 115 GLU CB C 13 32.72 0.12 . 1 . . . . . 105 GLU CB . 17665 1 812 . 1 . 1 115 115 GLU N N 15 121.6 0.15 . 1 . . . . . 105 GLU N . 17665 1 813 . 1 . 1 116 116 GLY H H 1 8.193 0.03 . 1 . . . . . 106 GLY H . 17665 1 814 . 1 . 1 116 116 GLY HA2 H 1 3.750 0.03 . 2 . . . . . 106 GLY HA2 . 17665 1 815 . 1 . 1 116 116 GLY HA3 H 1 3.792 0.03 . 2 . . . . . 106 GLY HA3 . 17665 1 816 . 1 . 1 116 116 GLY CA C 13 47.80 0.12 . 1 . . . . . 106 GLY CA . 17665 1 817 . 1 . 1 116 116 GLY N N 15 110.1 0.15 . 1 . . . . . 106 GLY N . 17665 1 818 . 1 . 1 117 117 ALA H H 1 7.909 0.03 . 1 . . . . . 107 ALA H . 17665 1 819 . 1 . 1 117 117 ALA HA H 1 4.460 0.03 . 1 . . . . . 107 ALA HA . 17665 1 820 . 1 . 1 117 117 ALA HB1 H 1 1.189 0.03 . 1 . . . . . 107 ALA MB . 17665 1 821 . 1 . 1 117 117 ALA HB2 H 1 1.189 0.03 . 1 . . . . . 107 ALA MB . 17665 1 822 . 1 . 1 117 117 ALA HB3 H 1 1.189 0.03 . 1 . . . . . 107 ALA MB . 17665 1 823 . 1 . 1 117 117 ALA CA C 13 53.25 0.12 . 1 . . . . . 107 ALA CA . 17665 1 824 . 1 . 1 117 117 ALA CB C 13 20.53 0.12 . 1 . . . . . 107 ALA CB . 17665 1 825 . 1 . 1 117 117 ALA N N 15 124.5 0.15 . 1 . . . . . 107 ALA N . 17665 1 826 . 1 . 1 118 118 PRO HA H 1 4.302 0.03 . 1 . . . . . 108 PRO HA . 17665 1 827 . 1 . 1 118 118 PRO CA C 13 65.92 0.12 . 1 . . . . . 108 PRO CA . 17665 1 828 . 1 . 1 118 118 PRO CB C 13 34.18 0.12 . 1 . . . . . 108 PRO CB . 17665 1 829 . 1 . 1 119 119 GLN H H 1 8.341 0.03 . 1 . . . . . 109 GLN H . 17665 1 830 . 1 . 1 119 119 GLN HA H 1 4.143 0.03 . 1 . . . . . 109 GLN HA . 17665 1 831 . 1 . 1 119 119 GLN HB2 H 1 1.925 0.03 . 2 . . . . . 109 GLN HB2 . 17665 1 832 . 1 . 1 119 119 GLN HB3 H 1 1.815 0.03 . 2 . . . . . 109 GLN HB3 . 17665 1 833 . 1 . 1 119 119 GLN HG2 H 1 2.096 0.03 . 2 . . . . . 109 GLN HG2 . 17665 1 834 . 1 . 1 119 119 GLN HG3 H 1 2.225 0.03 . 2 . . . . . 109 GLN HG3 . 17665 1 835 . 1 . 1 119 119 GLN CA C 13 58.55 0.12 . 1 . . . . . 109 GLN CA . 17665 1 836 . 1 . 1 119 119 GLN CB C 13 32.08 0.12 . 1 . . . . . 109 GLN CB . 17665 1 837 . 1 . 1 119 119 GLN N N 15 120.7 0.15 . 1 . . . . . 109 GLN N . 17665 1 838 . 1 . 1 120 120 GLU H H 1 8.275 0.03 . 1 . . . . . 110 GLU H . 17665 1 839 . 1 . 1 120 120 GLU HA H 1 4.142 0.03 . 1 . . . . . 110 GLU HA . 17665 1 840 . 1 . 1 120 120 GLU HB2 H 1 1.762 0.03 . 2 . . . . . 110 GLU HB2 . 17665 1 841 . 1 . 1 120 120 GLU HG2 H 1 2.072 0.03 . 2 . . . . . 110 GLU HG2 . 17665 1 842 . 1 . 1 120 120 GLU CA C 13 59.50 0.12 . 1 . . . . . 110 GLU CA . 17665 1 843 . 1 . 1 120 120 GLU CB C 13 32.85 0.12 . 1 . . . . . 110 GLU CB . 17665 1 844 . 1 . 1 120 120 GLU N N 15 121.9 0.15 . 1 . . . . . 110 GLU N . 17665 1 845 . 1 . 1 121 121 GLY H H 1 8.250 0.03 . 1 . . . . . 111 GLY H . 17665 1 846 . 1 . 1 121 121 GLY HA2 H 1 3.812 0.03 . 2 . . . . . 111 GLY HA2 . 17665 1 847 . 1 . 1 121 121 GLY CA C 13 48.07 0.12 . 1 . . . . . 111 GLY CA . 17665 1 848 . 1 . 1 121 121 GLY N N 15 109.9 0.15 . 1 . . . . . 111 GLY N . 17665 1 849 . 1 . 1 122 122 ILE H H 1 7.750 0.03 . 1 . . . . . 112 ILE H . 17665 1 850 . 1 . 1 122 122 ILE HA H 1 4.016 0.03 . 1 . . . . . 112 ILE HA . 17665 1 851 . 1 . 1 122 122 ILE HB H 1 1.703 0.03 . 1 . . . . . 112 ILE HB . 17665 1 852 . 1 . 1 122 122 ILE HG12 H 1 1.476 0.03 . 2 . . . . . 112 ILE HG12 . 17665 1 853 . 1 . 1 122 122 ILE HG21 H 1 0.756 0.03 . 1 . . . . . 112 ILE MG . 17665 1 854 . 1 . 1 122 122 ILE HG22 H 1 0.756 0.03 . 1 . . . . . 112 ILE MG . 17665 1 855 . 1 . 1 122 122 ILE HG23 H 1 0.756 0.03 . 1 . . . . . 112 ILE MG . 17665 1 856 . 1 . 1 122 122 ILE CA C 13 63.76 0.12 . 1 . . . . . 112 ILE CA . 17665 1 857 . 1 . 1 122 122 ILE CB C 13 41.63 0.12 . 1 . . . . . 112 ILE CB . 17665 1 858 . 1 . 1 122 122 ILE N N 15 119.8 0.15 . 1 . . . . . 112 ILE N . 17665 1 859 . 1 . 1 123 123 LEU H H 1 8.372 0.03 . 1 . . . . . 113 LEU H . 17665 1 860 . 1 . 1 123 123 LEU HA H 1 4.222 0.03 . 1 . . . . . 113 LEU HA . 17665 1 861 . 1 . 1 123 123 LEU HB2 H 1 1.422 0.03 . 2 . . . . . 113 LEU HB2 . 17665 1 862 . 1 . 1 123 123 LEU HB3 H 1 1.467 0.03 . 2 . . . . . 113 LEU HB3 . 17665 1 863 . 1 . 1 123 123 LEU HD11 H 1 0.750 0.03 . 2 . . . . . 113 LEU MD1 . 17665 1 864 . 1 . 1 123 123 LEU HD12 H 1 0.750 0.03 . 2 . . . . . 113 LEU MD1 . 17665 1 865 . 1 . 1 123 123 LEU HD13 H 1 0.750 0.03 . 2 . . . . . 113 LEU MD1 . 17665 1 866 . 1 . 1 123 123 LEU HD21 H 1 0.701 0.03 . 2 . . . . . 113 LEU MD2 . 17665 1 867 . 1 . 1 123 123 LEU HD22 H 1 0.701 0.03 . 2 . . . . . 113 LEU MD2 . 17665 1 868 . 1 . 1 123 123 LEU HD23 H 1 0.701 0.03 . 2 . . . . . 113 LEU MD2 . 17665 1 869 . 1 . 1 123 123 LEU CA C 13 57.80 0.12 . 1 . . . . . 113 LEU CA . 17665 1 870 . 1 . 1 123 123 LEU CB C 13 45.55 0.12 . 1 . . . . . 113 LEU CB . 17665 1 871 . 1 . 1 123 123 LEU N N 15 127.1 0.15 . 1 . . . . . 113 LEU N . 17665 1 872 . 1 . 1 124 124 GLU H H 1 8.174 0.03 . 1 . . . . . 114 GLU H . 17665 1 873 . 1 . 1 124 124 GLU HA H 1 4.099 0.03 . 1 . . . . . 114 GLU HA . 17665 1 874 . 1 . 1 124 124 GLU HB2 H 1 1.657 0.03 . 2 . . . . . 114 GLU HB2 . 17665 1 875 . 1 . 1 124 124 GLU HG2 H 1 2.105 0.03 . 2 . . . . . 114 GLU HG2 . 17665 1 876 . 1 . 1 124 124 GLU CA C 13 59.28 0.12 . 1 . . . . . 114 GLU CA . 17665 1 877 . 1 . 1 124 124 GLU CB C 13 32.92 0.12 . 1 . . . . . 114 GLU CB . 17665 1 878 . 1 . 1 124 124 GLU N N 15 122.3 0.15 . 1 . . . . . 114 GLU N . 17665 1 879 . 1 . 1 125 125 ASP H H 1 8.121 0.03 . 1 . . . . . 115 ASP H . 17665 1 880 . 1 . 1 125 125 ASP HA H 1 4.411 0.03 . 1 . . . . . 115 ASP HA . 17665 1 881 . 1 . 1 125 125 ASP HB2 H 1 2.505 0.03 . 2 . . . . . 115 ASP HB2 . 17665 1 882 . 1 . 1 125 125 ASP HB3 H 1 2.394 0.03 . 2 . . . . . 115 ASP HB3 . 17665 1 883 . 1 . 1 125 125 ASP CA C 13 56.99 0.12 . 1 . . . . . 115 ASP CA . 17665 1 884 . 1 . 1 125 125 ASP CB C 13 43.87 0.12 . 1 . . . . . 115 ASP CB . 17665 1 885 . 1 . 1 125 125 ASP N N 15 121.2 0.15 . 1 . . . . . 115 ASP N . 17665 1 886 . 1 . 1 126 126 MET H H 1 7.990 0.03 . 1 . . . . . 116 MET H . 17665 1 887 . 1 . 1 126 126 MET HA H 1 4.407 0.03 . 1 . . . . . 116 MET HA . 17665 1 888 . 1 . 1 126 126 MET HB2 H 1 1.900 0.03 . 2 . . . . . 116 MET HB2 . 17665 1 889 . 1 . 1 126 126 MET HB3 H 1 2.416 0.03 . 2 . . . . . 116 MET HB3 . 17665 1 890 . 1 . 1 126 126 MET HG2 H 1 2.346 0.03 . 2 . . . . . 116 MET HG2 . 17665 1 891 . 1 . 1 126 126 MET CA C 13 53.76 0.12 . 1 . . . . . 116 MET CA . 17665 1 892 . 1 . 1 126 126 MET CB C 13 32.94 0.12 . 1 . . . . . 116 MET CB . 17665 1 893 . 1 . 1 126 126 MET N N 15 121.3 0.15 . 1 . . . . . 116 MET N . 17665 1 894 . 1 . 1 127 127 PRO HA H 1 4.318 0.03 . 1 . . . . . 117 PRO HA . 17665 1 895 . 1 . 1 127 127 PRO CA C 13 65.72 0.12 . 1 . . . . . 117 PRO CA . 17665 1 896 . 1 . 1 127 127 PRO CB C 13 34.14 0.12 . 1 . . . . . 117 PRO CB . 17665 1 897 . 1 . 1 128 128 VAL H H 1 8.017 0.03 . 1 . . . . . 118 VAL H . 17665 1 898 . 1 . 1 128 128 VAL HA H 1 3.967 0.03 . 1 . . . . . 118 VAL HA . 17665 1 899 . 1 . 1 128 128 VAL HB H 1 1.845 0.03 . 1 . . . . . 118 VAL HB . 17665 1 900 . 1 . 1 128 128 VAL HG11 H 1 0.765 0.03 . 2 . . . . . 118 VAL MG1 . 17665 1 901 . 1 . 1 128 128 VAL HG12 H 1 0.765 0.03 . 2 . . . . . 118 VAL MG1 . 17665 1 902 . 1 . 1 128 128 VAL HG13 H 1 0.765 0.03 . 2 . . . . . 118 VAL MG1 . 17665 1 903 . 1 . 1 128 128 VAL CA C 13 64.70 0.12 . 1 . . . . . 118 VAL CA . 17665 1 904 . 1 . 1 128 128 VAL CB C 13 35.15 0.12 . 1 . . . . . 118 VAL CB . 17665 1 905 . 1 . 1 128 128 VAL N N 15 120.2 0.15 . 1 . . . . . 118 VAL N . 17665 1 906 . 1 . 1 129 129 ASP H H 1 8.251 0.03 . 1 . . . . . 119 ASP H . 17665 1 907 . 1 . 1 129 129 ASP HA H 1 4.716 0.03 . 1 . . . . . 119 ASP HA . 17665 1 908 . 1 . 1 129 129 ASP HB2 H 1 2.607 0.03 . 2 . . . . . 119 ASP HB2 . 17665 1 909 . 1 . 1 129 129 ASP HB3 H 1 2.356 0.03 . 2 . . . . . 119 ASP HB3 . 17665 1 910 . 1 . 1 129 129 ASP CA C 13 54.73 0.12 . 1 . . . . . 119 ASP CA . 17665 1 911 . 1 . 1 129 129 ASP CB C 13 44.02 0.12 . 1 . . . . . 119 ASP CB . 17665 1 912 . 1 . 1 129 129 ASP N N 15 125.1 0.15 . 1 . . . . . 119 ASP N . 17665 1 913 . 1 . 1 130 130 PRO HA H 1 4.198 0.03 . 1 . . . . . 120 PRO HA . 17665 1 914 . 1 . 1 130 130 PRO CA C 13 66.35 0.12 . 1 . . . . . 120 PRO CA . 17665 1 915 . 1 . 1 130 130 PRO CB C 13 34.79 0.12 . 1 . . . . . 120 PRO CB . 17665 1 916 . 1 . 1 131 131 ASP H H 1 8.169 0.03 . 1 . . . . . 121 ASP H . 17665 1 917 . 1 . 1 131 131 ASP HA H 1 4.473 0.03 . 1 . . . . . 121 ASP HA . 17665 1 918 . 1 . 1 131 131 ASP HB2 H 1 2.574 0.03 . 2 . . . . . 121 ASP HB2 . 17665 1 919 . 1 . 1 131 131 ASP HB3 H 1 2.446 0.03 . 2 . . . . . 121 ASP HB3 . 17665 1 920 . 1 . 1 131 131 ASP CA C 13 57.29 0.12 . 1 . . . . . 121 ASP CA . 17665 1 921 . 1 . 1 131 131 ASP CB C 13 43.12 0.12 . 1 . . . . . 121 ASP CB . 17665 1 922 . 1 . 1 131 131 ASP N N 15 119.0 0.15 . 1 . . . . . 121 ASP N . 17665 1 923 . 1 . 1 132 132 ASN H H 1 7.906 0.03 . 1 . . . . . 122 ASN H . 17665 1 924 . 1 . 1 132 132 ASN HA H 1 4.528 0.03 . 1 . . . . . 122 ASN HA . 17665 1 925 . 1 . 1 132 132 ASN HB2 H 1 2.668 0.03 . 2 . . . . . 122 ASN HB2 . 17665 1 926 . 1 . 1 132 132 ASN HB3 H 1 2.567 0.03 . 2 . . . . . 122 ASN HB3 . 17665 1 927 . 1 . 1 132 132 ASN CA C 13 56.26 0.12 . 1 . . . . . 122 ASN CA . 17665 1 928 . 1 . 1 132 132 ASN CB C 13 41.91 0.12 . 1 . . . . . 122 ASN CB . 17665 1 929 . 1 . 1 132 132 ASN N N 15 118.9 0.15 . 1 . . . . . 122 ASN N . 17665 1 930 . 1 . 1 133 133 GLU H H 1 8.182 0.03 . 1 . . . . . 123 GLU H . 17665 1 931 . 1 . 1 133 133 GLU HA H 1 4.072 0.03 . 1 . . . . . 123 GLU HA . 17665 1 932 . 1 . 1 133 133 GLU HB2 H 1 1.843 0.03 . 2 . . . . . 123 GLU HB2 . 17665 1 933 . 1 . 1 133 133 GLU HB3 H 1 1.754 0.03 . 2 . . . . . 123 GLU HB3 . 17665 1 934 . 1 . 1 133 133 GLU HG2 H 1 2.203 0.03 . 2 . . . . . 123 GLU HG2 . 17665 1 935 . 1 . 1 133 133 GLU HG3 H 1 2.093 0.03 . 2 . . . . . 123 GLU HG3 . 17665 1 936 . 1 . 1 133 133 GLU CA C 13 59.65 0.12 . 1 . . . . . 123 GLU CA . 17665 1 937 . 1 . 1 133 133 GLU CB C 13 32.71 0.12 . 1 . . . . . 123 GLU CB . 17665 1 938 . 1 . 1 133 133 GLU N N 15 121.5 0.15 . 1 . . . . . 123 GLU N . 17665 1 939 . 1 . 1 134 134 ALA H H 1 8.002 0.03 . 1 . . . . . 124 ALA H . 17665 1 940 . 1 . 1 134 134 ALA HA H 1 4.380 0.03 . 1 . . . . . 124 ALA HA . 17665 1 941 . 1 . 1 134 134 ALA HB1 H 1 1.141 0.03 . 1 . . . . . 124 ALA MB . 17665 1 942 . 1 . 1 134 134 ALA HB2 H 1 1.141 0.03 . 1 . . . . . 124 ALA MB . 17665 1 943 . 1 . 1 134 134 ALA HB3 H 1 1.141 0.03 . 1 . . . . . 124 ALA MB . 17665 1 944 . 1 . 1 134 134 ALA CA C 13 55.17 0.12 . 1 . . . . . 124 ALA CA . 17665 1 945 . 1 . 1 134 134 ALA CB C 13 21.64 0.12 . 1 . . . . . 124 ALA CB . 17665 1 946 . 1 . 1 134 134 ALA N N 15 123.9 0.15 . 1 . . . . . 124 ALA N . 17665 1 947 . 1 . 1 135 135 TYR H H 1 7.760 0.03 . 1 . . . . . 125 TYR H . 17665 1 948 . 1 . 1 135 135 TYR HA H 1 4.268 0.03 . 1 . . . . . 125 TYR HA . 17665 1 949 . 1 . 1 135 135 TYR HB2 H 1 2.846 0.03 . 2 . . . . . 125 TYR HB2 . 17665 1 950 . 1 . 1 135 135 TYR HB3 H 1 2.796 0.03 . 2 . . . . . 125 TYR HB3 . 17665 1 951 . 1 . 1 135 135 TYR CA C 13 60.50 0.12 . 1 . . . . . 125 TYR CA . 17665 1 952 . 1 . 1 135 135 TYR CB C 13 41.63 0.12 . 1 . . . . . 125 TYR CB . 17665 1 953 . 1 . 1 135 135 TYR N N 15 119.1 0.15 . 1 . . . . . 125 TYR N . 17665 1 954 . 1 . 1 136 136 GLU H H 1 7.914 0.03 . 1 . . . . . 126 GLU H . 17665 1 955 . 1 . 1 136 136 GLU HA H 1 4.091 0.03 . 1 . . . . . 126 GLU HA . 17665 1 956 . 1 . 1 136 136 GLU HB2 H 1 1.776 0.03 . 2 . . . . . 126 GLU HB2 . 17665 1 957 . 1 . 1 136 136 GLU HB3 H 1 1.679 0.03 . 2 . . . . . 126 GLU HB3 . 17665 1 958 . 1 . 1 136 136 GLU HG2 H 1 2.032 0.03 . 2 . . . . . 126 GLU HG2 . 17665 1 959 . 1 . 1 136 136 GLU HG3 H 1 1.971 0.03 . 2 . . . . . 126 GLU HG3 . 17665 1 960 . 1 . 1 136 136 GLU CA C 13 58.53 0.12 . 1 . . . . . 126 GLU CA . 17665 1 961 . 1 . 1 136 136 GLU CB C 13 33.16 0.12 . 1 . . . . . 126 GLU CB . 17665 1 962 . 1 . 1 136 136 GLU N N 15 123.1 0.15 . 1 . . . . . 126 GLU N . 17665 1 963 . 1 . 1 137 137 MET H H 1 8.158 0.03 . 1 . . . . . 127 MET H . 17665 1 964 . 1 . 1 137 137 MET HA H 1 4.221 0.03 . 1 . . . . . 127 MET HA . 17665 1 965 . 1 . 1 137 137 MET HB2 H 1 1.981 0.03 . 2 . . . . . 127 MET HB2 . 17665 1 966 . 1 . 1 137 137 MET HG2 H 1 2.432 0.03 . 2 . . . . . 127 MET HG2 . 17665 1 967 . 1 . 1 137 137 MET HG3 H 1 2.480 0.03 . 2 . . . . . 127 MET HG3 . 17665 1 968 . 1 . 1 137 137 MET CA C 13 56.06 0.12 . 1 . . . . . 127 MET CA . 17665 1 969 . 1 . 1 137 137 MET CB C 13 35.45 0.12 . 1 . . . . . 127 MET CB . 17665 1 970 . 1 . 1 137 137 MET N N 15 123.4 0.15 . 1 . . . . . 127 MET N . 17665 1 971 . 1 . 1 138 138 PRO HA H 1 4.310 0.03 . 1 . . . . . 128 PRO HA . 17665 1 972 . 1 . 1 138 138 PRO CA C 13 65.91 0.12 . 1 . . . . . 128 PRO CA . 17665 1 973 . 1 . 1 138 138 PRO CB C 13 34.63 0.12 . 1 . . . . . 128 PRO CB . 17665 1 974 . 1 . 1 139 139 SER H H 1 8.213 0.03 . 1 . . . . . 129 SER H . 17665 1 975 . 1 . 1 139 139 SER HA H 1 4.256 0.03 . 1 . . . . . 129 SER HA . 17665 1 976 . 1 . 1 139 139 SER HB2 H 1 3.715 0.03 . 2 . . . . . 129 SER HB2 . 17665 1 977 . 1 . 1 139 139 SER CA C 13 61.02 0.12 . 1 . . . . . 129 SER CA . 17665 1 978 . 1 . 1 139 139 SER CB C 13 67.00 0.12 . 1 . . . . . 129 SER CB . 17665 1 979 . 1 . 1 139 139 SER N N 15 116.2 0.15 . 1 . . . . . 129 SER N . 17665 1 980 . 1 . 1 140 140 GLU H H 1 8.336 0.03 . 1 . . . . . 130 GLU H . 17665 1 981 . 1 . 1 140 140 GLU HA H 1 4.138 0.03 . 1 . . . . . 130 GLU HA . 17665 1 982 . 1 . 1 140 140 GLU HB2 H 1 1.763 0.03 . 2 . . . . . 130 GLU HB2 . 17665 1 983 . 1 . 1 140 140 GLU HG2 H 1 1.908 0.03 . 2 . . . . . 130 GLU HG2 . 17665 1 984 . 1 . 1 140 140 GLU HG3 H 1 1.972 0.03 . 2 . . . . . 130 GLU HG3 . 17665 1 985 . 1 . 1 140 140 GLU CA C 13 59.40 0.12 . 1 . . . . . 130 GLU CA . 17665 1 986 . 1 . 1 140 140 GLU CB C 13 32.80 0.12 . 1 . . . . . 130 GLU CB . 17665 1 987 . 1 . 1 140 140 GLU N N 15 122.7 0.15 . 1 . . . . . 130 GLU N . 17665 1 988 . 1 . 1 141 141 GLU H H 1 8.181 0.03 . 1 . . . . . 131 GLU H . 17665 1 989 . 1 . 1 141 141 GLU HA H 1 4.069 0.03 . 1 . . . . . 131 GLU HA . 17665 1 990 . 1 . 1 141 141 GLU HB2 H 1 1.785 0.03 . 2 . . . . . 131 GLU HB2 . 17665 1 991 . 1 . 1 141 141 GLU HG2 H 1 2.119 0.03 . 2 . . . . . 131 GLU HG2 . 17665 1 992 . 1 . 1 141 141 GLU CA C 13 59.68 0.12 . 1 . . . . . 131 GLU CA . 17665 1 993 . 1 . 1 141 141 GLU CB C 13 32.80 0.12 . 1 . . . . . 131 GLU CB . 17665 1 994 . 1 . 1 141 141 GLU N N 15 121.7 0.15 . 1 . . . . . 131 GLU N . 17665 1 995 . 1 . 1 142 142 GLY H H 1 8.170 0.03 . 1 . . . . . 132 GLY H . 17665 1 996 . 1 . 1 142 142 GLY HA2 H 1 3.757 0.03 . 2 . . . . . 132 GLY HA2 . 17665 1 997 . 1 . 1 142 142 GLY HA3 H 1 3.757 0.03 . 2 . . . . . 132 GLY HA3 . 17665 1 998 . 1 . 1 142 142 GLY CA C 13 47.99 0.12 . 1 . . . . . 132 GLY CA . 17665 1 999 . 1 . 1 142 142 GLY N N 15 109.7 0.15 . 1 . . . . . 132 GLY N . 17665 1 1000 . 1 . 1 143 143 TYR H H 1 7.826 0.03 . 1 . . . . . 133 TYR H . 17665 1 1001 . 1 . 1 143 143 TYR HA H 1 4.354 0.03 . 1 . . . . . 133 TYR HA . 17665 1 1002 . 1 . 1 143 143 TYR HB2 H 1 2.908 0.03 . 2 . . . . . 133 TYR HB2 . 17665 1 1003 . 1 . 1 143 143 TYR HB3 H 1 2.786 0.03 . 2 . . . . . 133 TYR HB3 . 17665 1 1004 . 1 . 1 143 143 TYR CA C 13 60.87 0.12 . 1 . . . . . 133 TYR CA . 17665 1 1005 . 1 . 1 143 143 TYR CB C 13 41.70 0.12 . 1 . . . . . 133 TYR CB . 17665 1 1006 . 1 . 1 143 143 TYR N N 15 119.8 0.15 . 1 . . . . . 133 TYR N . 17665 1 1007 . 1 . 1 144 144 GLN H H 1 8.014 0.03 . 1 . . . . . 134 GLN H . 17665 1 1008 . 1 . 1 144 144 GLN HA H 1 4.038 0.03 . 1 . . . . . 134 GLN HA . 17665 1 1009 . 1 . 1 144 144 GLN HB2 H 1 1.662 0.03 . 2 . . . . . 134 GLN HB2 . 17665 1 1010 . 1 . 1 144 144 GLN HG2 H 1 2.041 0.03 . 2 . . . . . 134 GLN HG2 . 17665 1 1011 . 1 . 1 144 144 GLN CA C 13 58.11 0.12 . 1 . . . . . 134 GLN CA . 17665 1 1012 . 1 . 1 144 144 GLN CB C 13 32.42 0.12 . 1 . . . . . 134 GLN CB . 17665 1 1013 . 1 . 1 144 144 GLN N N 15 121.6 0.15 . 1 . . . . . 134 GLN N . 17665 1 1014 . 1 . 1 145 145 ASP H H 1 8.007 0.03 . 1 . . . . . 135 ASP H . 17665 1 1015 . 1 . 1 145 145 ASP HA H 1 4.409 0.03 . 1 . . . . . 135 ASP HA . 17665 1 1016 . 1 . 1 145 145 ASP HB2 H 1 2.640 0.03 . 2 . . . . . 135 ASP HB2 . 17665 1 1017 . 1 . 1 145 145 ASP HB3 H 1 2.438 0.03 . 2 . . . . . 135 ASP HB3 . 17665 1 1018 . 1 . 1 145 145 ASP CA C 13 56.96 0.12 . 1 . . . . . 135 ASP CA . 17665 1 1019 . 1 . 1 145 145 ASP CB C 13 43.37 0.12 . 1 . . . . . 135 ASP CB . 17665 1 1020 . 1 . 1 145 145 ASP N N 15 121.6 0.15 . 1 . . . . . 135 ASP N . 17665 1 1021 . 1 . 1 146 146 TYR H H 1 7.820 0.03 . 1 . . . . . 136 TYR H . 17665 1 1022 . 1 . 1 146 146 TYR HA H 1 4.262 0.03 . 1 . . . . . 136 TYR HA . 17665 1 1023 . 1 . 1 146 146 TYR HB2 H 1 2.801 0.03 . 2 . . . . . 136 TYR HB2 . 17665 1 1024 . 1 . 1 146 146 TYR CA C 13 60.35 0.12 . 1 . . . . . 136 TYR CA . 17665 1 1025 . 1 . 1 146 146 TYR CB C 13 41.77 0.12 . 1 . . . . . 136 TYR CB . 17665 1 1026 . 1 . 1 146 146 TYR N N 15 119.5 0.15 . 1 . . . . . 136 TYR N . 17665 1 1027 . 1 . 1 147 147 GLU H H 1 8.003 0.03 . 1 . . . . . 137 GLU H . 17665 1 1028 . 1 . 1 147 147 GLU HA H 1 4.380 0.03 . 1 . . . . . 137 GLU HA . 17665 1 1029 . 1 . 1 147 147 GLU HB2 H 1 1.722 0.03 . 2 . . . . . 137 GLU HB2 . 17665 1 1030 . 1 . 1 147 147 GLU HB3 H 1 1.751 0.03 . 2 . . . . . 137 GLU HB3 . 17665 1 1031 . 1 . 1 147 147 GLU HG2 H 1 1.920 0.03 . 2 . . . . . 137 GLU HG2 . 17665 1 1032 . 1 . 1 147 147 GLU CA C 13 56.39 0.12 . 1 . . . . . 137 GLU CA . 17665 1 1033 . 1 . 1 147 147 GLU CB C 13 32.93 0.12 . 1 . . . . . 137 GLU CB . 17665 1 1034 . 1 . 1 147 147 GLU N N 15 124.7 0.15 . 1 . . . . . 137 GLU N . 17665 1 1035 . 1 . 1 148 148 PRO HA H 1 4.203 0.03 . 1 . . . . . 138 PRO HA . 17665 1 1036 . 1 . 1 148 148 PRO CA C 13 65.77 0.12 . 1 . . . . . 138 PRO CA . 17665 1 1037 . 1 . 1 148 148 PRO CB C 13 34.30 0.12 . 1 . . . . . 138 PRO CB . 17665 1 1038 . 1 . 1 149 149 GLU H H 1 8.280 0.03 . 1 . . . . . 139 GLU H . 17665 1 1039 . 1 . 1 149 149 GLU HA H 1 4.076 0.03 . 1 . . . . . 139 GLU HA . 17665 1 1040 . 1 . 1 149 149 GLU HB2 H 1 1.774 0.03 . 2 . . . . . 139 GLU HB2 . 17665 1 1041 . 1 . 1 149 149 GLU HB3 H 1 1.905 0.03 . 2 . . . . . 139 GLU HB3 . 17665 1 1042 . 1 . 1 149 149 GLU HG2 H 1 2.159 0.03 . 2 . . . . . 139 GLU HG2 . 17665 1 1043 . 1 . 1 149 149 GLU HG3 H 1 2.094 0.03 . 2 . . . . . 139 GLU HG3 . 17665 1 1044 . 1 . 1 149 149 GLU CA C 13 59.35 0.12 . 1 . . . . . 139 GLU CA . 17665 1 1045 . 1 . 1 149 149 GLU CB C 13 32.79 0.12 . 1 . . . . . 139 GLU CB . 17665 1 1046 . 1 . 1 149 149 GLU N N 15 121.2 0.15 . 1 . . . . . 139 GLU N . 17665 1 1047 . 1 . 1 150 150 ALA H H 1 7.747 0.03 . 1 . . . . . 140 ALA H . 17665 1 1048 . 1 . 1 150 150 ALA HA H 1 3.950 0.03 . 1 . . . . . 140 ALA HA . 17665 1 1049 . 1 . 1 150 150 ALA HB1 H 1 1.166 0.03 . 1 . . . . . 140 ALA MB . 17665 1 1050 . 1 . 1 150 150 ALA HB2 H 1 1.166 0.03 . 1 . . . . . 140 ALA MB . 17665 1 1051 . 1 . 1 150 150 ALA HB3 H 1 1.166 0.03 . 1 . . . . . 140 ALA MB . 17665 1 1052 . 1 . 1 150 150 ALA CA C 13 56.49 0.12 . 1 . . . . . 140 ALA CA . 17665 1 1053 . 1 . 1 150 150 ALA CB C 13 22.87 0.12 . 1 . . . . . 140 ALA CB . 17665 1 1054 . 1 . 1 150 150 ALA N N 15 130.4 0.15 . 1 . . . . . 140 ALA N . 17665 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 458 17665 1 1 459 17665 1 2 733 17665 1 2 734 17665 1 stop_ save_