data_26857 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26857 _Entry.Title ; Backbone 1H, 15N assignments of lipoprotein signal peptidase in complex with globomycin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-22 _Entry.Accession_date 2016-07-22 _Entry.Last_release_date 2016-11-22 _Entry.Original_release_date 2016-11-22 _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 . _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 Aisha Laguerre . . . . 26857 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26857 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 26857 '15N chemical shifts' 178 26857 '1H chemical shifts' 178 26857 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-04-01 2016-07-22 update BMRB 'update Polymer_type' 26857 1 . . 2016-11-22 2016-07-22 original author 'original release' 26857 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26857 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27618661 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; From Nanodiscs to Isotropic Bicelles: A Procedure for Solution Nuclear Magnetic Resonance Studies of Detergent-Sensitive Integral Membrane Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 10 _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 1830 _Citation.Page_last 1841 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aisha Laguerre . . . . 26857 1 2 Frank Lohr . . . . 26857 1 3 Erik Henrich . . . . 26857 1 4 Beate Hoffmann . . . . 26857 1 5 Norzehan Abdul-Manan . . . . 26857 1 6 Peter Connolly . J. . . 26857 1 7 Eduardo Perozo . . . . 26857 1 8 Jonathan Moore . M. . . 26857 1 9 Frank Bernhard . . . . 26857 1 10 Volker Dotsch . . . . 26857 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26857 _Assembly.ID 1 _Assembly.Name 'Lipoprotein signal peptide with globomycin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Lipoprotein signal peptide' 1 $lipoprotein_signal_peptidase A . yes native no no . . . 26857 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lipoprotein_signal_peptidase _Entity.Sf_category entity _Entity.Sf_framecode lipoprotein_signal_peptidase _Entity.Entry_ID 26857 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lipoprotein_signal_peptidase _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 ; MGSSHHHHHHSSAWSHPQFE KSGLVPRGSHMSQSICSTGL RWLWLVVVVLIIDLGSKYLI LQNFALGDTVPLFPSLNLHY ARNYGAAFSFLADSGGWQRW FFAGIAIGISVILAVMMYRS KATQKLNNIAYALIIGGALG NLFDRLWHGFVVDMIDFYVG DWHFATFNLADTAICVGAAL IVLEGFLPSRAKKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 1 MET . 26857 1 2 2 GLY . 26857 1 3 3 SER . 26857 1 4 4 SER . 26857 1 5 5 HIS . 26857 1 6 6 HIS . 26857 1 7 7 HIS . 26857 1 8 8 HIS . 26857 1 9 9 HIS . 26857 1 10 10 HIS . 26857 1 11 11 SER . 26857 1 12 12 SER . 26857 1 13 13 ALA . 26857 1 14 14 TRP . 26857 1 15 15 SER . 26857 1 16 16 HIS . 26857 1 17 17 PRO . 26857 1 18 18 GLN . 26857 1 19 19 PHE . 26857 1 20 20 GLU . 26857 1 21 21 LYS . 26857 1 22 22 SER . 26857 1 23 23 GLY . 26857 1 24 24 LEU . 26857 1 25 25 VAL . 26857 1 26 26 PRO . 26857 1 27 27 ARG . 26857 1 28 28 GLY . 26857 1 29 29 SER . 26857 1 30 30 HIS . 26857 1 31 31 MET . 26857 1 32 32 SER . 26857 1 33 33 GLN . 26857 1 34 34 SER . 26857 1 35 35 ILE . 26857 1 36 36 CYS . 26857 1 37 37 SER . 26857 1 38 38 THR . 26857 1 39 39 GLY . 26857 1 40 40 LEU . 26857 1 41 41 ARG . 26857 1 42 42 TRP . 26857 1 43 43 LEU . 26857 1 44 44 TRP . 26857 1 45 45 LEU . 26857 1 46 46 VAL . 26857 1 47 47 VAL . 26857 1 48 48 VAL . 26857 1 49 49 VAL . 26857 1 50 50 LEU . 26857 1 51 51 ILE . 26857 1 52 52 ILE . 26857 1 53 53 ASP . 26857 1 54 54 LEU . 26857 1 55 55 GLY . 26857 1 56 56 SER . 26857 1 57 57 LYS . 26857 1 58 58 TYR . 26857 1 59 59 LEU . 26857 1 60 60 ILE . 26857 1 61 61 LEU . 26857 1 62 62 GLN . 26857 1 63 63 ASN . 26857 1 64 64 PHE . 26857 1 65 65 ALA . 26857 1 66 66 LEU . 26857 1 67 67 GLY . 26857 1 68 68 ASP . 26857 1 69 69 THR . 26857 1 70 70 VAL . 26857 1 71 71 PRO . 26857 1 72 72 LEU . 26857 1 73 73 PHE . 26857 1 74 74 PRO . 26857 1 75 75 SER . 26857 1 76 76 LEU . 26857 1 77 77 ASN . 26857 1 78 78 LEU . 26857 1 79 79 HIS . 26857 1 80 80 TYR . 26857 1 81 81 ALA . 26857 1 82 82 ARG . 26857 1 83 83 ASN . 26857 1 84 84 TYR . 26857 1 85 85 GLY . 26857 1 86 86 ALA . 26857 1 87 87 ALA . 26857 1 88 88 PHE . 26857 1 89 89 SER . 26857 1 90 90 PHE . 26857 1 91 91 LEU . 26857 1 92 92 ALA . 26857 1 93 93 ASP . 26857 1 94 94 SER . 26857 1 95 95 GLY . 26857 1 96 96 GLY . 26857 1 97 97 TRP . 26857 1 98 98 GLN . 26857 1 99 99 ARG . 26857 1 100 100 TRP . 26857 1 101 101 PHE . 26857 1 102 102 PHE . 26857 1 103 103 ALA . 26857 1 104 104 GLY . 26857 1 105 105 ILE . 26857 1 106 106 ALA . 26857 1 107 107 ILE . 26857 1 108 108 GLY . 26857 1 109 109 ILE . 26857 1 110 110 SER . 26857 1 111 111 VAL . 26857 1 112 112 ILE . 26857 1 113 113 LEU . 26857 1 114 114 ALA . 26857 1 115 115 VAL . 26857 1 116 116 MET . 26857 1 117 117 MET . 26857 1 118 118 TYR . 26857 1 119 119 ARG . 26857 1 120 120 SER . 26857 1 121 121 LYS . 26857 1 122 122 ALA . 26857 1 123 123 THR . 26857 1 124 124 GLN . 26857 1 125 125 LYS . 26857 1 126 126 LEU . 26857 1 127 127 ASN . 26857 1 128 128 ASN . 26857 1 129 129 ILE . 26857 1 130 130 ALA . 26857 1 131 131 TYR . 26857 1 132 132 ALA . 26857 1 133 133 LEU . 26857 1 134 134 ILE . 26857 1 135 135 ILE . 26857 1 136 136 GLY . 26857 1 137 137 GLY . 26857 1 138 138 ALA . 26857 1 139 139 LEU . 26857 1 140 140 GLY . 26857 1 141 141 ASN . 26857 1 142 142 LEU . 26857 1 143 143 PHE . 26857 1 144 144 ASP . 26857 1 145 145 ARG . 26857 1 146 146 LEU . 26857 1 147 147 TRP . 26857 1 148 148 HIS . 26857 1 149 149 GLY . 26857 1 150 150 PHE . 26857 1 151 151 VAL . 26857 1 152 152 VAL . 26857 1 153 153 ASP . 26857 1 154 154 MET . 26857 1 155 155 ILE . 26857 1 156 156 ASP . 26857 1 157 157 PHE . 26857 1 158 158 TYR . 26857 1 159 159 VAL . 26857 1 160 160 GLY . 26857 1 161 161 ASP . 26857 1 162 162 TRP . 26857 1 163 163 HIS . 26857 1 164 164 PHE . 26857 1 165 165 ALA . 26857 1 166 166 THR . 26857 1 167 167 PHE . 26857 1 168 168 ASN . 26857 1 169 169 LEU . 26857 1 170 170 ALA . 26857 1 171 171 ASP . 26857 1 172 172 THR . 26857 1 173 173 ALA . 26857 1 174 174 ILE . 26857 1 175 175 CYS . 26857 1 176 176 VAL . 26857 1 177 177 GLY . 26857 1 178 178 ALA . 26857 1 179 179 ALA . 26857 1 180 180 LEU . 26857 1 181 181 ILE . 26857 1 182 182 VAL . 26857 1 183 183 LEU . 26857 1 184 184 GLU . 26857 1 185 185 GLY . 26857 1 186 186 PHE . 26857 1 187 187 LEU . 26857 1 188 188 PRO . 26857 1 189 189 SER . 26857 1 190 190 ARG . 26857 1 191 191 ALA . 26857 1 192 192 LYS . 26857 1 193 193 LYS . 26857 1 194 194 GLN . 26857 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26857 1 . GLY 2 2 26857 1 . SER 3 3 26857 1 . SER 4 4 26857 1 . HIS 5 5 26857 1 . HIS 6 6 26857 1 . HIS 7 7 26857 1 . HIS 8 8 26857 1 . HIS 9 9 26857 1 . HIS 10 10 26857 1 . SER 11 11 26857 1 . SER 12 12 26857 1 . ALA 13 13 26857 1 . TRP 14 14 26857 1 . SER 15 15 26857 1 . HIS 16 16 26857 1 . PRO 17 17 26857 1 . GLN 18 18 26857 1 . PHE 19 19 26857 1 . GLU 20 20 26857 1 . LYS 21 21 26857 1 . SER 22 22 26857 1 . GLY 23 23 26857 1 . LEU 24 24 26857 1 . VAL 25 25 26857 1 . PRO 26 26 26857 1 . ARG 27 27 26857 1 . GLY 28 28 26857 1 . SER 29 29 26857 1 . HIS 30 30 26857 1 . MET 31 31 26857 1 . SER 32 32 26857 1 . GLN 33 33 26857 1 . SER 34 34 26857 1 . ILE 35 35 26857 1 . CYS 36 36 26857 1 . SER 37 37 26857 1 . THR 38 38 26857 1 . GLY 39 39 26857 1 . LEU 40 40 26857 1 . ARG 41 41 26857 1 . TRP 42 42 26857 1 . LEU 43 43 26857 1 . TRP 44 44 26857 1 . LEU 45 45 26857 1 . VAL 46 46 26857 1 . VAL 47 47 26857 1 . VAL 48 48 26857 1 . VAL 49 49 26857 1 . LEU 50 50 26857 1 . ILE 51 51 26857 1 . ILE 52 52 26857 1 . ASP 53 53 26857 1 . LEU 54 54 26857 1 . GLY 55 55 26857 1 . SER 56 56 26857 1 . LYS 57 57 26857 1 . TYR 58 58 26857 1 . LEU 59 59 26857 1 . ILE 60 60 26857 1 . LEU 61 61 26857 1 . GLN 62 62 26857 1 . ASN 63 63 26857 1 . PHE 64 64 26857 1 . ALA 65 65 26857 1 . LEU 66 66 26857 1 . GLY 67 67 26857 1 . ASP 68 68 26857 1 . THR 69 69 26857 1 . VAL 70 70 26857 1 . PRO 71 71 26857 1 . LEU 72 72 26857 1 . PHE 73 73 26857 1 . PRO 74 74 26857 1 . SER 75 75 26857 1 . LEU 76 76 26857 1 . ASN 77 77 26857 1 . LEU 78 78 26857 1 . HIS 79 79 26857 1 . TYR 80 80 26857 1 . ALA 81 81 26857 1 . ARG 82 82 26857 1 . ASN 83 83 26857 1 . TYR 84 84 26857 1 . GLY 85 85 26857 1 . ALA 86 86 26857 1 . ALA 87 87 26857 1 . PHE 88 88 26857 1 . SER 89 89 26857 1 . PHE 90 90 26857 1 . LEU 91 91 26857 1 . ALA 92 92 26857 1 . ASP 93 93 26857 1 . SER 94 94 26857 1 . GLY 95 95 26857 1 . GLY 96 96 26857 1 . TRP 97 97 26857 1 . GLN 98 98 26857 1 . ARG 99 99 26857 1 . TRP 100 100 26857 1 . PHE 101 101 26857 1 . PHE 102 102 26857 1 . ALA 103 103 26857 1 . GLY 104 104 26857 1 . ILE 105 105 26857 1 . ALA 106 106 26857 1 . ILE 107 107 26857 1 . GLY 108 108 26857 1 . ILE 109 109 26857 1 . SER 110 110 26857 1 . VAL 111 111 26857 1 . ILE 112 112 26857 1 . LEU 113 113 26857 1 . ALA 114 114 26857 1 . VAL 115 115 26857 1 . MET 116 116 26857 1 . MET 117 117 26857 1 . TYR 118 118 26857 1 . ARG 119 119 26857 1 . SER 120 120 26857 1 . LYS 121 121 26857 1 . ALA 122 122 26857 1 . THR 123 123 26857 1 . GLN 124 124 26857 1 . LYS 125 125 26857 1 . LEU 126 126 26857 1 . ASN 127 127 26857 1 . ASN 128 128 26857 1 . ILE 129 129 26857 1 . ALA 130 130 26857 1 . TYR 131 131 26857 1 . ALA 132 132 26857 1 . LEU 133 133 26857 1 . ILE 134 134 26857 1 . ILE 135 135 26857 1 . GLY 136 136 26857 1 . GLY 137 137 26857 1 . ALA 138 138 26857 1 . LEU 139 139 26857 1 . GLY 140 140 26857 1 . ASN 141 141 26857 1 . LEU 142 142 26857 1 . PHE 143 143 26857 1 . ASP 144 144 26857 1 . ARG 145 145 26857 1 . LEU 146 146 26857 1 . TRP 147 147 26857 1 . HIS 148 148 26857 1 . GLY 149 149 26857 1 . PHE 150 150 26857 1 . VAL 151 151 26857 1 . VAL 152 152 26857 1 . ASP 153 153 26857 1 . MET 154 154 26857 1 . ILE 155 155 26857 1 . ASP 156 156 26857 1 . PHE 157 157 26857 1 . TYR 158 158 26857 1 . VAL 159 159 26857 1 . GLY 160 160 26857 1 . ASP 161 161 26857 1 . TRP 162 162 26857 1 . HIS 163 163 26857 1 . PHE 164 164 26857 1 . ALA 165 165 26857 1 . THR 166 166 26857 1 . PHE 167 167 26857 1 . ASN 168 168 26857 1 . LEU 169 169 26857 1 . ALA 170 170 26857 1 . ASP 171 171 26857 1 . THR 172 172 26857 1 . ALA 173 173 26857 1 . ILE 174 174 26857 1 . CYS 175 175 26857 1 . VAL 176 176 26857 1 . GLY 177 177 26857 1 . ALA 178 178 26857 1 . ALA 179 179 26857 1 . LEU 180 180 26857 1 . ILE 181 181 26857 1 . VAL 182 182 26857 1 . LEU 183 183 26857 1 . GLU 184 184 26857 1 . GLY 185 185 26857 1 . PHE 186 186 26857 1 . LEU 187 187 26857 1 . PRO 188 188 26857 1 . SER 189 189 26857 1 . ARG 190 190 26857 1 . ALA 191 191 26857 1 . LYS 192 192 26857 1 . LYS 193 193 26857 1 . GLN 194 194 26857 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 26857 _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 $lipoprotein_signal_peptidase . 562 organism . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26857 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 26857 _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 $lipoprotein_signal_peptidase . 'cell free synthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28(b) . . . 26857 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26857 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'lipoprotein signal peptidase' '[U-13C; U-15N; U-2H]' . . 1 $lipoprotein_signal_peptidase . . 300 . . uM . . . . 26857 1 2 'sodium acetate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 26857 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26857 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26857 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26857 _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' 20 . mM 26857 1 pH 4.0 . pH 26857 1 pressure 1 . atm 26857 1 temperature 318 . K 26857 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26857 _Software.ID 1 _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' . . 26857 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26857 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26857 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 26857 _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 . 950 . . . 26857 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 26857 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26857 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26857 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26857 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26857 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 26857 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS carbons . . . . ppm 0 internal direct 1 . . . . . 26857 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . 26857 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 26857 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 26857 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26857 1 2 '3D HNCA' . . . 26857 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 1 1 MET H H 1 8.416 0.005 . 1 . . . . . 1 Met H . 26857 1 2 . 1 . 1 1 1 MET C C 13 176.824 0.000 . 1 . . . . . 1 Met C . 26857 1 3 . 1 . 1 1 1 MET CA C 13 54.071 0.005 . 1 . . . . . 1 Met CA . 26857 1 4 . 1 . 1 1 1 MET CB C 13 32.259 0.004 . 1 . . . . . 1 Met CB . 26857 1 5 . 1 . 1 1 1 MET N N 15 128.112 0.021 . 1 . . . . . 1 Met N . 26857 1 6 . 1 . 1 2 2 GLY H H 1 8.520 0.005 . 1 . . . . . 2 Gly H . 26857 1 7 . 1 . 1 2 2 GLY C C 13 174.477 0.000 . 1 . . . . . 2 Gly C . 26857 1 8 . 1 . 1 2 2 GLY CA C 13 45.137 0.011 . 1 . . . . . 2 Gly CA . 26857 1 9 . 1 . 1 2 2 GLY N N 15 110.021 0.030 . 1 . . . . . 2 Gly N . 26857 1 10 . 1 . 1 3 3 SER H H 1 8.161 0.007 . 1 . . . . . 3 Ser H . 26857 1 11 . 1 . 1 3 3 SER CA C 13 58.016 0.063 . 1 . . . . . 3 Ser CA . 26857 1 12 . 1 . 1 3 3 SER CB C 13 63.247 0.027 . 1 . . . . . 3 Ser CB . 26857 1 13 . 1 . 1 3 3 SER N N 15 115.261 0.031 . 1 . . . . . 3 Ser N . 26857 1 14 . 1 . 1 4 4 SER H H 1 8.377 0.001 . 1 . . . . . 4 Ser H . 26857 1 15 . 1 . 1 4 4 SER N N 15 117.872 0.009 . 1 . . . . . 4 Ser N . 26857 1 16 . 1 . 1 12 12 SER C C 13 174.303 0.000 . 1 . . . . . 12 Ser C . 26857 1 17 . 1 . 1 12 12 SER CA C 13 58.014 0.000 . 1 . . . . . 12 Ser CA . 26857 1 18 . 1 . 1 12 12 SER CB C 13 63.226 0.000 . 1 . . . . . 12 Ser CB . 26857 1 19 . 1 . 1 13 13 ALA H H 1 8.811 0.000 . 1 . . . . . 13 Ala H . 26857 1 20 . 1 . 1 13 13 ALA CA C 13 52.285 0.020 . 1 . . . . . 13 Ala CA . 26857 1 21 . 1 . 1 13 13 ALA CB C 13 18.269 0.003 . 1 . . . . . 13 Ala CB . 26857 1 22 . 1 . 1 13 13 ALA N N 15 125.277 0.042 . 1 . . . . . 13 Ala N . 26857 1 23 . 1 . 1 14 14 TRP H H 1 7.917 0.005 . 1 . . . . . 14 Trp H . 26857 1 24 . 1 . 1 14 14 TRP C C 13 176.106 0.000 . 1 . . . . . 14 Trp C . 26857 1 25 . 1 . 1 14 14 TRP CA C 13 56.694 0.009 . 1 . . . . . 14 Trp CA . 26857 1 26 . 1 . 1 14 14 TRP CB C 13 28.988 0.007 . 1 . . . . . 14 Trp CB . 26857 1 27 . 1 . 1 14 14 TRP N N 15 119.509 0.125 . 1 . . . . . 14 Trp N . 26857 1 28 . 1 . 1 15 15 SER H H 1 7.882 0.005 . 1 . . . . . 15 Ser H . 26857 1 29 . 1 . 1 15 15 SER C C 13 173.570 0.000 . 1 . . . . . 15 Ser C . 26857 1 30 . 1 . 1 15 15 SER CA C 13 57.650 0.003 . 1 . . . . . 15 Ser CA . 26857 1 31 . 1 . 1 15 15 SER CB C 13 63.216 0.000 . 1 . . . . . 15 Ser CB . 26857 1 32 . 1 . 1 15 15 SER N N 15 116.799 0.036 . 1 . . . . . 15 Ser N . 26857 1 33 . 1 . 1 16 16 HIS H H 1 8.099 0.006 . 1 . . . . . 16 His H . 26857 1 34 . 1 . 1 16 16 HIS CA C 13 53.113 0.000 . 1 . . . . . 16 His CA . 26857 1 35 . 1 . 1 16 16 HIS CB C 13 28.230 0.000 . 1 . . . . . 16 His CB . 26857 1 36 . 1 . 1 16 16 HIS N N 15 120.093 0.020 . 1 . . . . . 16 His N . 26857 1 37 . 1 . 1 17 17 PRO C C 13 176.851 0.000 . 1 . . . . . 17 Pro C . 26857 1 38 . 1 . 1 18 18 GLN H H 1 8.403 0.003 . 1 . . . . . 18 Gln H . 26857 1 39 . 1 . 1 18 18 GLN CA C 13 55.704 0.090 . 1 . . . . . 18 Gln CA . 26857 1 40 . 1 . 1 18 18 GLN CB C 13 32.201 0.000 . 1 . . . . . 18 Gln CB . 26857 1 41 . 1 . 1 18 18 GLN N N 15 120.552 0.141 . 1 . . . . . 18 Gln N . 26857 1 42 . 1 . 1 19 19 PHE H H 1 8.097 0.005 . 1 . . . . . 19 Phe H . 26857 1 43 . 1 . 1 19 19 PHE CA C 13 57.093 0.000 . 1 . . . . . 19 Phe CA . 26857 1 44 . 1 . 1 19 19 PHE CB C 13 38.817 0.000 . 1 . . . . . 19 Phe CB . 26857 1 45 . 1 . 1 19 19 PHE N N 15 120.368 0.016 . 1 . . . . . 19 Phe N . 26857 1 46 . 1 . 1 20 20 GLU H H 1 8.264 0.017 . 1 . . . . . 20 Glu H . 26857 1 47 . 1 . 1 20 20 GLU CB C 13 29.809 0.000 . 1 . . . . . 20 Glu CB . 26857 1 48 . 1 . 1 20 20 GLU N N 15 122.174 0.038 . 1 . . . . . 20 Glu N . 26857 1 49 . 1 . 1 21 21 LYS H H 1 8.250 0.008 . 1 . . . . . 21 Lys H . 26857 1 50 . 1 . 1 21 21 LYS C C 13 176.680 0.000 . 1 . . . . . 21 Lys C . 26857 1 51 . 1 . 1 21 21 LYS CB C 13 32.055 0.083 . 1 . . . . . 21 Lys CB . 26857 1 52 . 1 . 1 21 21 LYS N N 15 122.220 0.007 . 1 . . . . . 21 Lys N . 26857 1 53 . 1 . 1 22 22 SER H H 1 8.218 0.007 . 1 . . . . . 22 Ser H . 26857 1 54 . 1 . 1 22 22 SER C C 13 175.076 0.000 . 1 . . . . . 22 Ser C . 26857 1 55 . 1 . 1 22 22 SER CA C 13 58.247 0.009 . 1 . . . . . 22 Ser CA . 26857 1 56 . 1 . 1 22 22 SER CB C 13 63.302 0.004 . 1 . . . . . 22 Ser CB . 26857 1 57 . 1 . 1 22 22 SER N N 15 116.325 0.041 . 1 . . . . . 22 Ser N . 26857 1 58 . 1 . 1 23 23 GLY H H 1 8.317 0.006 . 1 . . . . . 23 Gly H . 26857 1 59 . 1 . 1 23 23 GLY C C 13 173.930 0.000 . 1 . . . . . 23 Gly C . 26857 1 60 . 1 . 1 23 23 GLY CA C 13 44.957 0.012 . 1 . . . . . 23 Gly CA . 26857 1 61 . 1 . 1 23 23 GLY N N 15 110.255 0.030 . 1 . . . . . 23 Gly N . 26857 1 62 . 1 . 1 24 24 LEU H H 1 7.960 0.007 . 1 . . . . . 24 Leu H . 26857 1 63 . 1 . 1 24 24 LEU C C 13 177.066 0.000 . 1 . . . . . 24 Leu C . 26857 1 64 . 1 . 1 24 24 LEU CA C 13 54.839 0.016 . 1 . . . . . 24 Leu CA . 26857 1 65 . 1 . 1 24 24 LEU CB C 13 41.452 0.008 . 1 . . . . . 24 Leu CB . 26857 1 66 . 1 . 1 24 24 LEU N N 15 121.395 0.021 . 1 . . . . . 24 Leu N . 26857 1 67 . 1 . 1 25 25 VAL H H 1 7.962 0.009 . 1 . . . . . 25 Val H . 26857 1 68 . 1 . 1 25 25 VAL CA C 13 59.392 0.005 . 1 . . . . . 25 Val CA . 26857 1 69 . 1 . 1 25 25 VAL CB C 13 31.796 0.000 . 1 . . . . . 25 Val CB . 26857 1 70 . 1 . 1 25 25 VAL N N 15 122.071 0.055 . 1 . . . . . 25 Val N . 26857 1 71 . 1 . 1 26 26 PRO C C 13 176.996 0.000 . 1 . . . . . 26 Pro C . 26857 1 72 . 1 . 1 26 26 PRO CA C 13 62.767 0.000 . 1 . . . . . 26 Pro CA . 26857 1 73 . 1 . 1 26 26 PRO CB C 13 31.170 0.000 . 1 . . . . . 26 Pro CB . 26857 1 74 . 1 . 1 27 27 ARG H H 1 8.342 0.007 . 1 . . . . . 27 Arg H . 26857 1 75 . 1 . 1 27 27 ARG C C 13 176.375 0.000 . 1 . . . . . 27 Arg C . 26857 1 76 . 1 . 1 27 27 ARG CA C 13 55.886 0.001 . 1 . . . . . 27 Arg CA . 26857 1 77 . 1 . 1 27 27 ARG CB C 13 30.030 0.000 . 1 . . . . . 27 Arg CB . 26857 1 78 . 1 . 1 27 27 ARG N N 15 121.439 0.055 . 1 . . . . . 27 Arg N . 26857 1 79 . 1 . 1 28 28 GLY H H 1 8.346 0.004 . 1 . . . . . 28 Gly H . 26857 1 80 . 1 . 1 28 28 GLY C C 13 174.084 0.000 . 1 . . . . . 28 Gly C . 26857 1 81 . 1 . 1 28 28 GLY CA C 13 44.886 0.002 . 1 . . . . . 28 Gly CA . 26857 1 82 . 1 . 1 28 28 GLY N N 15 109.580 0.021 . 1 . . . . . 28 Gly N . 26857 1 83 . 1 . 1 29 29 SER H H 1 8.126 0.004 . 1 . . . . . 29 Ser H . 26857 1 84 . 1 . 1 29 29 SER CA C 13 57.864 0.034 . 1 . . . . . 29 Ser CA . 26857 1 85 . 1 . 1 29 29 SER N N 15 115.098 0.028 . 1 . . . . . 29 Ser N . 26857 1 86 . 1 . 1 30 30 HIS H H 1 8.554 0.007 . 1 . . . . . 30 His H . 26857 1 87 . 1 . 1 30 30 HIS C C 13 175.196 0.000 . 1 . . . . . 30 His C . 26857 1 88 . 1 . 1 30 30 HIS CA C 13 55.178 0.000 . 1 . . . . . 30 His CA . 26857 1 89 . 1 . 1 30 30 HIS CB C 13 28.662 0.000 . 1 . . . . . 30 His CB . 26857 1 90 . 1 . 1 30 30 HIS N N 15 120.256 0.057 . 1 . . . . . 30 His N . 26857 1 91 . 1 . 1 31 31 MET H H 1 8.486 0.023 . 1 . . . . . 31 Met H . 26857 1 92 . 1 . 1 31 31 MET C C 13 175.197 0.000 . 1 . . . . . 31 Met C . 26857 1 93 . 1 . 1 31 31 MET CA C 13 54.952 0.070 . 1 . . . . . 31 Met CA . 26857 1 94 . 1 . 1 31 31 MET N N 15 120.965 0.025 . 1 . . . . . 31 Met N . 26857 1 95 . 1 . 1 32 32 SER H H 1 8.458 0.011 . 1 . . . . . 32 Ser H . 26857 1 96 . 1 . 1 32 32 SER C C 13 174.258 0.000 . 1 . . . . . 32 Ser C . 26857 1 97 . 1 . 1 32 32 SER CA C 13 58.064 0.002 . 1 . . . . . 32 Ser CA . 26857 1 98 . 1 . 1 32 32 SER CB C 13 63.376 0.000 . 1 . . . . . 32 Ser CB . 26857 1 99 . 1 . 1 32 32 SER N N 15 117.902 0.086 . 1 . . . . . 32 Ser N . 26857 1 100 . 1 . 1 33 33 GLN H H 1 8.468 0.035 . 1 . . . . . 33 Gln H . 26857 1 101 . 1 . 1 33 33 GLN CA C 13 55.312 0.025 . 1 . . . . . 33 Gln CA . 26857 1 102 . 1 . 1 33 33 GLN CB C 13 29.051 0.000 . 1 . . . . . 33 Gln CB . 26857 1 103 . 1 . 1 33 33 GLN N N 15 122.191 0.026 . 1 . . . . . 33 Gln N . 26857 1 104 . 1 . 1 34 34 SER H H 1 8.356 0.034 . 1 . . . . . 34 Ser H . 26857 1 105 . 1 . 1 34 34 SER CA C 13 57.486 0.000 . 1 . . . . . 34 Ser CA . 26857 1 106 . 1 . 1 34 34 SER CB C 13 63.312 0.000 . 1 . . . . . 34 Ser CB . 26857 1 107 . 1 . 1 34 34 SER N N 15 117.064 0.086 . 1 . . . . . 34 Ser N . 26857 1 108 . 1 . 1 35 35 ILE H H 1 8.138 0.003 . 1 . . . . . 35 Ile H . 26857 1 109 . 1 . 1 35 35 ILE CA C 13 60.904 0.000 . 1 . . . . . 35 Ile CA . 26857 1 110 . 1 . 1 35 35 ILE N N 15 122.008 0.005 . 1 . . . . . 35 Ile N . 26857 1 111 . 1 . 1 38 38 THR H H 1 7.872 0.000 . 1 . . . . . 38 Thr H . 26857 1 112 . 1 . 1 38 38 THR C C 13 175.507 0.000 . 1 . . . . . 38 Thr C . 26857 1 113 . 1 . 1 38 38 THR CA C 13 60.961 0.000 . 1 . . . . . 38 Thr CA . 26857 1 114 . 1 . 1 38 38 THR N N 15 114.768 0.000 . 1 . . . . . 38 Thr N . 26857 1 115 . 1 . 1 39 39 GLY H H 1 8.249 0.003 . 1 . . . . . 39 Gly H . 26857 1 116 . 1 . 1 39 39 GLY C C 13 175.625 0.000 . 1 . . . . . 39 Gly C . 26857 1 117 . 1 . 1 39 39 GLY CA C 13 46.718 0.045 . 1 . . . . . 39 Gly CA . 26857 1 118 . 1 . 1 39 39 GLY N N 15 108.247 0.054 . 1 . . . . . 39 Gly N . 26857 1 119 . 1 . 1 40 40 LEU H H 1 8.317 0.022 . 1 . . . . . 40 Leu H . 26857 1 120 . 1 . 1 40 40 LEU CA C 13 56.463 0.000 . 1 . . . . . 40 Leu CA . 26857 1 121 . 1 . 1 40 40 LEU N N 15 117.658 0.069 . 1 . . . . . 40 Leu N . 26857 1 122 . 1 . 1 41 41 ARG H H 1 7.993 0.002 . 1 . . . . . 41 Arg H . 26857 1 123 . 1 . 1 41 41 ARG CA C 13 58.835 0.000 . 1 . . . . . 41 Arg CA . 26857 1 124 . 1 . 1 41 41 ARG N N 15 120.013 0.042 . 1 . . . . . 41 Arg N . 26857 1 125 . 1 . 1 42 42 TRP H H 1 7.587 0.020 . 1 . . . . . 42 Trp H . 26857 1 126 . 1 . 1 42 42 TRP C C 13 59.007 0.000 . 1 . . . . . 42 Trp C . 26857 1 127 . 1 . 1 42 42 TRP CB C 13 28.887 0.000 . 1 . . . . . 42 Trp CB . 26857 1 128 . 1 . 1 42 42 TRP N N 15 118.795 0.097 . 1 . . . . . 42 Trp N . 26857 1 129 . 1 . 1 43 43 LEU H H 1 8.328 0.019 . 1 . . . . . 43 Leu H . 26857 1 130 . 1 . 1 43 43 LEU C C 13 57.413 0.000 . 1 . . . . . 43 Leu C . 26857 1 131 . 1 . 1 43 43 LEU N N 15 120.331 0.094 . 1 . . . . . 43 Leu N . 26857 1 132 . 1 . 1 44 44 TRP H H 1 7.417 0.008 . 1 . . . . . 44 Trp H . 26857 1 133 . 1 . 1 44 44 TRP C C 13 176.926 0.000 . 1 . . . . . 44 Trp C . 26857 1 134 . 1 . 1 44 44 TRP N N 15 115.460 0.097 . 1 . . . . . 44 Trp N . 26857 1 135 . 1 . 1 45 45 LEU H H 1 6.907 0.002 . 1 . . . . . 45 Leu H . 26857 1 136 . 1 . 1 45 45 LEU C C 13 178.131 0.000 . 1 . . . . . 45 Leu C . 26857 1 137 . 1 . 1 45 45 LEU CA C 13 56.931 0.000 . 1 . . . . . 45 Leu CA . 26857 1 138 . 1 . 1 45 45 LEU N N 15 123.587 0.094 . 1 . . . . . 45 Leu N . 26857 1 139 . 1 . 1 46 46 VAL H H 1 7.171 0.014 . 1 . . . . . 46 Val H . 26857 1 140 . 1 . 1 46 46 VAL C C 13 177.460 0.000 . 1 . . . . . 46 Val C . 26857 1 141 . 1 . 1 46 46 VAL CA C 13 66.207 0.018 . 1 . . . . . 46 Val CA . 26857 1 142 . 1 . 1 46 46 VAL N N 15 118.142 0.026 . 1 . . . . . 46 Val N . 26857 1 143 . 1 . 1 47 47 VAL H H 1 7.096 0.004 . 1 . . . . . 47 Val H . 26857 1 144 . 1 . 1 47 47 VAL C C 13 176.994 0.000 . 1 . . . . . 47 Val C . 26857 1 145 . 1 . 1 47 47 VAL CA C 13 66.259 0.000 . 1 . . . . . 47 Val CA . 26857 1 146 . 1 . 1 47 47 VAL CB C 13 30.431 0.000 . 1 . . . . . 47 Val CB . 26857 1 147 . 1 . 1 47 47 VAL N N 15 115.363 0.037 . 1 . . . . . 47 Val N . 26857 1 148 . 1 . 1 48 48 VAL H H 1 7.884 0.014 . 1 . . . . . 48 Val H . 26857 1 149 . 1 . 1 48 48 VAL C C 13 177.027 0.000 . 1 . . . . . 48 Val C . 26857 1 150 . 1 . 1 48 48 VAL CA C 13 67.241 0.000 . 1 . . . . . 48 Val CA . 26857 1 151 . 1 . 1 48 48 VAL CB C 13 30.841 0.000 . 1 . . . . . 48 Val CB . 26857 1 152 . 1 . 1 48 48 VAL N N 15 118.129 0.043 . 1 . . . . . 48 Val N . 26857 1 153 . 1 . 1 49 49 VAL H H 1 8.169 0.009 . 1 . . . . . 49 Val H . 26857 1 154 . 1 . 1 49 49 VAL C C 13 176.853 0.000 . 1 . . . . . 49 Val C . 26857 1 155 . 1 . 1 49 49 VAL CA C 13 67.078 0.021 . 1 . . . . . 49 Val CA . 26857 1 156 . 1 . 1 49 49 VAL CB C 13 30.798 0.000 . 1 . . . . . 49 Val CB . 26857 1 157 . 1 . 1 49 49 VAL N N 15 118.078 0.046 . 1 . . . . . 49 Val N . 26857 1 158 . 1 . 1 50 50 LEU H H 1 8.104 0.011 . 1 . . . . . 50 Leu H . 26857 1 159 . 1 . 1 50 50 LEU C C 13 178.477 0.000 . 1 . . . . . 50 Leu C . 26857 1 160 . 1 . 1 50 50 LEU CA C 13 58.326 0.000 . 1 . . . . . 50 Leu CA . 26857 1 161 . 1 . 1 50 50 LEU CB C 13 41.943 0.000 . 1 . . . . . 50 Leu CB . 26857 1 162 . 1 . 1 50 50 LEU N N 15 118.592 0.030 . 1 . . . . . 50 Leu N . 26857 1 163 . 1 . 1 51 51 ILE H H 1 8.366 0.017 . 1 . . . . . 51 Ile H . 26857 1 164 . 1 . 1 51 51 ILE C C 13 178.266 0.000 . 1 . . . . . 51 Ile C . 26857 1 165 . 1 . 1 51 51 ILE CA C 13 65.108 0.030 . 1 . . . . . 51 Ile CA . 26857 1 166 . 1 . 1 51 51 ILE CB C 13 36.792 0.000 . 1 . . . . . 51 Ile CB . 26857 1 167 . 1 . 1 51 51 ILE N N 15 116.568 0.117 . 1 . . . . . 51 Ile N . 26857 1 168 . 1 . 1 52 52 ILE H H 1 8.288 0.013 . 1 . . . . . 52 Ile H . 26857 1 169 . 1 . 1 52 52 ILE C C 13 178.732 0.000 . 1 . . . . . 52 Ile C . 26857 1 170 . 1 . 1 52 52 ILE CA C 13 64.727 0.000 . 1 . . . . . 52 Ile CA . 26857 1 171 . 1 . 1 52 52 ILE CB C 13 36.560 0.000 . 1 . . . . . 52 Ile CB . 26857 1 172 . 1 . 1 52 52 ILE N N 15 118.085 0.109 . 1 . . . . . 52 Ile N . 26857 1 173 . 1 . 1 53 53 ASP H H 1 9.194 0.007 . 1 . . . . . 53 Asp H . 26857 1 174 . 1 . 1 53 53 ASP C C 13 177.953 0.000 . 1 . . . . . 53 Asp C . 26857 1 175 . 1 . 1 53 53 ASP CA C 13 59.109 0.021 . 1 . . . . . 53 Asp CA . 26857 1 176 . 1 . 1 53 53 ASP CB C 13 43.645 0.049 . 1 . . . . . 53 Asp CB . 26857 1 177 . 1 . 1 53 53 ASP N N 15 121.989 0.049 . 1 . . . . . 53 Asp N . 26857 1 178 . 1 . 1 54 54 LEU H H 1 8.862 0.006 . 1 . . . . . 54 Leu H . 26857 1 179 . 1 . 1 54 54 LEU C C 13 180.121 0.000 . 1 . . . . . 54 Leu C . 26857 1 180 . 1 . 1 54 54 LEU CA C 13 57.682 0.010 . 1 . . . . . 54 Leu CA . 26857 1 181 . 1 . 1 54 54 LEU CB C 13 40.276 0.000 . 1 . . . . . 54 Leu CB . 26857 1 182 . 1 . 1 54 54 LEU N N 15 117.006 0.028 . 1 . . . . . 54 Leu N . 26857 1 183 . 1 . 1 55 55 GLY H H 1 8.962 0.007 . 1 . . . . . 55 Gly H . 26857 1 184 . 1 . 1 55 55 GLY CA C 13 47.033 0.000 . 1 . . . . . 55 Gly CA . 26857 1 185 . 1 . 1 55 55 GLY N N 15 107.749 0.024 . 1 . . . . . 55 Gly N . 26857 1 186 . 1 . 1 56 56 SER C C 13 176.037 0.000 . 1 . . . . . 56 Ser C . 26857 1 187 . 1 . 1 57 57 LYS H H 1 7.806 0.008 . 1 . . . . . 57 Lys H . 26857 1 188 . 1 . 1 57 57 LYS C C 13 177.777 0.000 . 1 . . . . . 57 Lys C . 26857 1 189 . 1 . 1 57 57 LYS CA C 13 60.404 0.009 . 1 . . . . . 57 Lys CA . 26857 1 190 . 1 . 1 57 57 LYS CB C 13 32.086 0.000 . 1 . . . . . 57 Lys CB . 26857 1 191 . 1 . 1 57 57 LYS N N 15 123.223 0.027 . 1 . . . . . 57 Lys N . 26857 1 192 . 1 . 1 58 58 TYR H H 1 8.379 0.012 . 1 . . . . . 58 Tyr H . 26857 1 193 . 1 . 1 58 58 TYR C C 13 177.215 0.000 . 1 . . . . . 58 Tyr C . 26857 1 194 . 1 . 1 58 58 TYR CA C 13 61.736 0.001 . 1 . . . . . 58 Tyr CA . 26857 1 195 . 1 . 1 58 58 TYR CB C 13 37.849 0.000 . 1 . . . . . 58 Tyr CB . 26857 1 196 . 1 . 1 58 58 TYR N N 15 119.480 0.033 . 1 . . . . . 58 Tyr N . 26857 1 197 . 1 . 1 59 59 LEU H H 1 7.878 0.018 . 1 . . . . . 59 Leu H . 26857 1 198 . 1 . 1 59 59 LEU C C 13 180.241 0.000 . 1 . . . . . 59 Leu C . 26857 1 199 . 1 . 1 59 59 LEU CA C 13 57.598 0.000 . 1 . . . . . 59 Leu CA . 26857 1 200 . 1 . 1 59 59 LEU CB C 13 41.509 0.000 . 1 . . . . . 59 Leu CB . 26857 1 201 . 1 . 1 59 59 LEU N N 15 116.408 0.054 . 1 . . . . . 59 Leu N . 26857 1 202 . 1 . 1 60 60 ILE H H 1 7.709 0.011 . 1 . . . . . 60 Ile H . 26857 1 203 . 1 . 1 60 60 ILE C C 13 176.923 0.000 . 1 . . . . . 60 Ile C . 26857 1 204 . 1 . 1 60 60 ILE CA C 13 60.956 0.000 . 1 . . . . . 60 Ile CA . 26857 1 205 . 1 . 1 60 60 ILE CB C 13 33.439 0.000 . 1 . . . . . 60 Ile CB . 26857 1 206 . 1 . 1 60 60 ILE N N 15 120.180 0.020 . 1 . . . . . 60 Ile N . 26857 1 207 . 1 . 1 61 61 LEU H H 1 8.010 0.014 . 1 . . . . . 61 Leu H . 26857 1 208 . 1 . 1 61 61 LEU C C 13 179.816 0.000 . 1 . . . . . 61 Leu C . 26857 1 209 . 1 . 1 61 61 LEU CA C 13 57.043 0.042 . 1 . . . . . 61 Leu CA . 26857 1 210 . 1 . 1 61 61 LEU CB C 13 40.642 0.000 . 1 . . . . . 61 Leu CB . 26857 1 211 . 1 . 1 61 61 LEU N N 15 118.615 0.049 . 1 . . . . . 61 Leu N . 26857 1 212 . 1 . 1 62 62 GLN H H 1 7.825 0.005 . 1 . . . . . 62 Gln H . 26857 1 213 . 1 . 1 62 62 GLN C C 13 176.882 0.000 . 1 . . . . . 62 Gln C . 26857 1 214 . 1 . 1 62 62 GLN CA C 13 56.307 0.027 . 1 . . . . . 62 Gln CA . 26857 1 215 . 1 . 1 62 62 GLN CB C 13 29.374 0.000 . 1 . . . . . 62 Gln CB . 26857 1 216 . 1 . 1 62 62 GLN N N 15 113.690 0.119 . 1 . . . . . 62 Gln N . 26857 1 217 . 1 . 1 63 63 ASN H H 1 7.291 0.006 . 1 . . . . . 63 Asn H . 26857 1 218 . 1 . 1 63 63 ASN C C 13 173.449 0.000 . 1 . . . . . 63 Asn C . 26857 1 219 . 1 . 1 63 63 ASN CA C 13 54.581 0.004 . 1 . . . . . 63 Asn CA . 26857 1 220 . 1 . 1 63 63 ASN CB C 13 42.347 0.000 . 1 . . . . . 63 Asn CB . 26857 1 221 . 1 . 1 63 63 ASN N N 15 112.957 0.115 . 1 . . . . . 63 Asn N . 26857 1 222 . 1 . 1 64 64 PHE H H 1 8.665 0.010 . 1 . . . . . 64 Phe H . 26857 1 223 . 1 . 1 64 64 PHE C C 13 174.816 0.000 . 1 . . . . . 64 Phe C . 26857 1 224 . 1 . 1 64 64 PHE CA C 13 56.629 0.005 . 1 . . . . . 64 Phe CA . 26857 1 225 . 1 . 1 64 64 PHE CB C 13 39.401 0.001 . 1 . . . . . 64 Phe CB . 26857 1 226 . 1 . 1 64 64 PHE N N 15 120.363 0.093 . 1 . . . . . 64 Phe N . 26857 1 227 . 1 . 1 65 65 ALA H H 1 8.806 0.022 . 1 . . . . . 65 Ala H . 26857 1 228 . 1 . 1 65 65 ALA C C 13 178.539 0.000 . 1 . . . . . 65 Ala C . 26857 1 229 . 1 . 1 65 65 ALA CA C 13 50.243 0.005 . 1 . . . . . 65 Ala CA . 26857 1 230 . 1 . 1 65 65 ALA CB C 13 18.730 0.000 . 1 . . . . . 65 Ala CB . 26857 1 231 . 1 . 1 65 65 ALA N N 15 124.587 0.016 . 1 . . . . . 65 Ala N . 26857 1 232 . 1 . 1 66 66 LEU H H 1 8.425 0.005 . 1 . . . . . 66 Leu H . 26857 1 233 . 1 . 1 66 66 LEU C C 13 178.539 0.000 . 1 . . . . . 66 Leu C . 26857 1 234 . 1 . 1 66 66 LEU CA C 13 56.827 0.011 . 1 . . . . . 66 Leu CA . 26857 1 235 . 1 . 1 66 66 LEU CB C 13 40.315 0.000 . 1 . . . . . 66 Leu CB . 26857 1 236 . 1 . 1 66 66 LEU N N 15 122.546 0.037 . 1 . . . . . 66 Leu N . 26857 1 237 . 1 . 1 67 67 GLY H H 1 8.023 0.006 . 1 . . . . . 67 Gly H . 26857 1 238 . 1 . 1 67 67 GLY C C 13 173.969 0.000 . 1 . . . . . 67 Gly C . 26857 1 239 . 1 . 1 67 67 GLY CA C 13 44.666 0.013 . 1 . . . . . 67 Gly CA . 26857 1 240 . 1 . 1 67 67 GLY N N 15 114.748 0.077 . 1 . . . . . 67 Gly N . 26857 1 241 . 1 . 1 68 68 ASP H H 1 8.342 0.003 . 1 . . . . . 68 Asp H . 26857 1 242 . 1 . 1 68 68 ASP C C 13 176.672 0.000 . 1 . . . . . 68 Asp C . 26857 1 243 . 1 . 1 68 68 ASP CA C 13 55.407 0.011 . 1 . . . . . 68 Asp CA . 26857 1 244 . 1 . 1 68 68 ASP CB C 13 41.423 0.000 . 1 . . . . . 68 Asp CB . 26857 1 245 . 1 . 1 68 68 ASP N N 15 121.577 0.051 . 1 . . . . . 68 Asp N . 26857 1 246 . 1 . 1 69 69 THR H H 1 8.400 0.006 . 1 . . . . . 69 Thr H . 26857 1 247 . 1 . 1 69 69 THR C C 13 176.672 0.000 . 1 . . . . . 69 Thr C . 26857 1 248 . 1 . 1 69 69 THR CA C 13 61.338 0.002 . 1 . . . . . 69 Thr CA . 26857 1 249 . 1 . 1 69 69 THR CB C 13 71.267 0.000 . 1 . . . . . 69 Thr CB . 26857 1 250 . 1 . 1 69 69 THR N N 15 116.396 0.063 . 1 . . . . . 69 Thr N . 26857 1 251 . 1 . 1 70 70 VAL H H 1 9.551 0.007 . 1 . . . . . 70 Val H . 26857 1 252 . 1 . 1 70 70 VAL CA C 13 58.481 0.000 . 1 . . . . . 70 Val CA . 26857 1 253 . 1 . 1 70 70 VAL CB C 13 35.167 0.000 . 1 . . . . . 70 Val CB . 26857 1 254 . 1 . 1 70 70 VAL N N 15 127.365 0.048 . 1 . . . . . 70 Val N . 26857 1 255 . 1 . 1 71 71 PRO CA C 13 62.646 0.000 . 1 . . . . . 71 Pro CA . 26857 1 256 . 1 . 1 71 71 PRO CB C 13 31.612 0.000 . 1 . . . . . 71 Pro CB . 26857 1 257 . 1 . 1 72 72 LEU H H 1 8.290 0.032 . 1 . . . . . 72 Leu H . 26857 1 258 . 1 . 1 72 72 LEU C C 13 175.057 0.000 . 1 . . . . . 72 Leu C . 26857 1 259 . 1 . 1 72 72 LEU CA C 13 55.720 0.013 . 1 . . . . . 72 Leu CA . 26857 1 260 . 1 . 1 72 72 LEU CB C 13 42.844 0.000 . 1 . . . . . 72 Leu CB . 26857 1 261 . 1 . 1 72 72 LEU N N 15 121.373 0.096 . 1 . . . . . 72 Leu N . 26857 1 262 . 1 . 1 73 73 PHE H H 1 8.053 0.005 . 1 . . . . . 73 Phe H . 26857 1 263 . 1 . 1 73 73 PHE CA C 13 54.737 0.000 . 1 . . . . . 73 Phe CA . 26857 1 264 . 1 . 1 73 73 PHE CB C 13 38.694 0.000 . 1 . . . . . 73 Phe CB . 26857 1 265 . 1 . 1 73 73 PHE N N 15 114.043 0.066 . 1 . . . . . 73 Phe N . 26857 1 266 . 1 . 1 74 74 PRO C C 13 175.219 0.000 . 1 . . . . . 74 Pro C . 26857 1 267 . 1 . 1 74 74 PRO CA C 13 65.965 0.000 . 1 . . . . . 74 Pro CA . 26857 1 268 . 1 . 1 74 74 PRO CB C 13 30.436 0.000 . 1 . . . . . 74 Pro CB . 26857 1 269 . 1 . 1 75 75 SER H H 1 6.946 0.011 . 1 . . . . . 75 Ser H . 26857 1 270 . 1 . 1 75 75 SER C C 13 172.124 0.000 . 1 . . . . . 75 Ser C . 26857 1 271 . 1 . 1 75 75 SER CA C 13 63.457 0.000 . 1 . . . . . 75 Ser CA . 26857 1 272 . 1 . 1 75 75 SER N N 15 111.175 0.103 . 1 . . . . . 75 Ser N . 26857 1 273 . 1 . 1 76 76 LEU H H 1 8.347 0.009 . 1 . . . . . 76 Leu H . 26857 1 274 . 1 . 1 76 76 LEU C C 13 175.183 0.000 . 1 . . . . . 76 Leu C . 26857 1 275 . 1 . 1 76 76 LEU CA C 13 54.190 0.010 . 1 . . . . . 76 Leu CA . 26857 1 276 . 1 . 1 76 76 LEU CB C 13 45.476 0.002 . 1 . . . . . 76 Leu CB . 26857 1 277 . 1 . 1 76 76 LEU N N 15 120.163 0.074 . 1 . . . . . 76 Leu N . 26857 1 278 . 1 . 1 77 77 ASN H H 1 9.588 0.008 . 1 . . . . . 77 Asn H . 26857 1 279 . 1 . 1 77 77 ASN C C 13 175.787 0.000 . 1 . . . . . 77 Asn C . 26857 1 280 . 1 . 1 77 77 ASN CA C 13 51.052 0.007 . 1 . . . . . 77 Asn CA . 26857 1 281 . 1 . 1 77 77 ASN CB C 13 41.119 0.032 . 1 . . . . . 77 Asn CB . 26857 1 282 . 1 . 1 77 77 ASN N N 15 124.290 0.142 . 1 . . . . . 77 Asn N . 26857 1 283 . 1 . 1 78 78 LEU H H 1 8.922 0.010 . 1 . . . . . 78 Leu H . 26857 1 284 . 1 . 1 78 78 LEU C C 13 177.032 0.000 . 1 . . . . . 78 Leu C . 26857 1 285 . 1 . 1 78 78 LEU CA C 13 53.185 0.000 . 1 . . . . . 78 Leu CA . 26857 1 286 . 1 . 1 78 78 LEU CB C 13 42.503 0.027 . 1 . . . . . 78 Leu CB . 26857 1 287 . 1 . 1 78 78 LEU N N 15 117.480 0.059 . 1 . . . . . 78 Leu N . 26857 1 288 . 1 . 1 79 79 HIS H H 1 9.101 0.008 . 1 . . . . . 79 His H . 26857 1 289 . 1 . 1 79 79 HIS C C 13 172.572 0.000 . 1 . . . . . 79 His C . 26857 1 290 . 1 . 1 79 79 HIS CA C 13 53.409 0.024 . 1 . . . . . 79 His CA . 26857 1 291 . 1 . 1 79 79 HIS CB C 13 31.224 0.004 . 1 . . . . . 79 His CB . 26857 1 292 . 1 . 1 79 79 HIS N N 15 124.273 0.034 . 1 . . . . . 79 His N . 26857 1 293 . 1 . 1 80 80 TYR H H 1 7.402 0.008 . 1 . . . . . 80 Tyr H . 26857 1 294 . 1 . 1 80 80 TYR C C 13 173.191 0.000 . 1 . . . . . 80 Tyr C . 26857 1 295 . 1 . 1 80 80 TYR CA C 13 54.728 0.003 . 1 . . . . . 80 Tyr CA . 26857 1 296 . 1 . 1 80 80 TYR CB C 13 36.238 0.007 . 1 . . . . . 80 Tyr CB . 26857 1 297 . 1 . 1 80 80 TYR N N 15 123.737 0.043 . 1 . . . . . 80 Tyr N . 26857 1 298 . 1 . 1 81 81 ALA H H 1 8.699 0.005 . 1 . . . . . 81 Ala H . 26857 1 299 . 1 . 1 81 81 ALA C C 13 174.425 0.000 . 1 . . . . . 81 Ala C . 26857 1 300 . 1 . 1 81 81 ALA CA C 13 49.799 0.011 . 1 . . . . . 81 Ala CA . 26857 1 301 . 1 . 1 81 81 ALA CB C 13 21.979 0.021 . 1 . . . . . 81 Ala CB . 26857 1 302 . 1 . 1 81 81 ALA N N 15 134.115 0.035 . 1 . . . . . 81 Ala N . 26857 1 303 . 1 . 1 82 82 ARG H H 1 7.878 0.014 . 1 . . . . . 82 Arg H . 26857 1 304 . 1 . 1 82 82 ARG C C 13 175.621 0.000 . 1 . . . . . 82 Arg C . 26857 1 305 . 1 . 1 82 82 ARG CA C 13 53.980 0.002 . 1 . . . . . 82 Arg CA . 26857 1 306 . 1 . 1 82 82 ARG CB C 13 32.489 0.013 . 1 . . . . . 82 Arg CB . 26857 1 307 . 1 . 1 82 82 ARG N N 15 117.498 0.033 . 1 . . . . . 82 Arg N . 26857 1 308 . 1 . 1 83 83 ASN H H 1 9.557 0.005 . 1 . . . . . 83 Asn H . 26857 1 309 . 1 . 1 83 83 ASN C C 13 177.175 0.000 . 1 . . . . . 83 Asn C . 26857 1 310 . 1 . 1 83 83 ASN CA C 13 51.494 0.012 . 1 . . . . . 83 Asn CA . 26857 1 311 . 1 . 1 83 83 ASN CB C 13 39.747 0.024 . 1 . . . . . 83 Asn CB . 26857 1 312 . 1 . 1 83 83 ASN N N 15 121.216 0.124 . 1 . . . . . 83 Asn N . 26857 1 313 . 1 . 1 84 84 TYR H H 1 9.567 0.011 . 1 . . . . . 84 Tyr H . 26857 1 314 . 1 . 1 84 84 TYR C C 13 176.031 0.000 . 1 . . . . . 84 Tyr C . 26857 1 315 . 1 . 1 84 84 TYR CA C 13 59.618 0.017 . 1 . . . . . 84 Tyr CA . 26857 1 316 . 1 . 1 84 84 TYR CB C 13 37.217 0.000 . 1 . . . . . 84 Tyr CB . 26857 1 317 . 1 . 1 84 84 TYR N N 15 127.597 0.094 . 1 . . . . . 84 Tyr N . 26857 1 318 . 1 . 1 85 85 GLY H H 1 8.999 0.015 . 1 . . . . . 85 Gly H . 26857 1 319 . 1 . 1 85 85 GLY C C 13 173.954 0.000 . 1 . . . . . 85 Gly C . 26857 1 320 . 1 . 1 85 85 GLY CA C 13 44.682 0.003 . 1 . . . . . 85 Gly CA . 26857 1 321 . 1 . 1 85 85 GLY N N 15 110.347 0.035 . 1 . . . . . 85 Gly N . 26857 1 322 . 1 . 1 86 86 ALA H H 1 8.594 0.016 . 1 . . . . . 86 Ala H . 26857 1 323 . 1 . 1 86 86 ALA C C 13 175.731 0.000 . 1 . . . . . 86 Ala C . 26857 1 324 . 1 . 1 86 86 ALA CA C 13 52.387 0.000 . 1 . . . . . 86 Ala CA . 26857 1 325 . 1 . 1 86 86 ALA CB C 13 18.355 0.000 . 1 . . . . . 86 Ala CB . 26857 1 326 . 1 . 1 86 86 ALA N N 15 123.975 0.067 . 1 . . . . . 86 Ala N . 26857 1 327 . 1 . 1 87 87 ALA H H 1 8.325 0.018 . 1 . . . . . 87 Ala H . 26857 1 328 . 1 . 1 87 87 ALA C C 13 177.235 0.000 . 1 . . . . . 87 Ala C . 26857 1 329 . 1 . 1 87 87 ALA CA C 13 52.338 0.015 . 1 . . . . . 87 Ala CA . 26857 1 330 . 1 . 1 87 87 ALA CB C 13 18.163 0.000 . 1 . . . . . 87 Ala CB . 26857 1 331 . 1 . 1 87 87 ALA N N 15 121.536 0.093 . 1 . . . . . 87 Ala N . 26857 1 332 . 1 . 1 88 88 PHE H H 1 7.877 0.018 . 1 . . . . . 88 Phe H . 26857 1 333 . 1 . 1 88 88 PHE C C 13 176.978 0.000 . 1 . . . . . 88 Phe C . 26857 1 334 . 1 . 1 88 88 PHE CA C 13 56.911 0.029 . 1 . . . . . 88 Phe CA . 26857 1 335 . 1 . 1 88 88 PHE CB C 13 38.538 0.000 . 1 . . . . . 88 Phe CB . 26857 1 336 . 1 . 1 88 88 PHE N N 15 115.367 0.108 . 1 . . . . . 88 Phe N . 26857 1 337 . 1 . 1 89 89 SER H H 1 8.670 0.014 . 1 . . . . . 89 Ser H . 26857 1 338 . 1 . 1 89 89 SER C C 13 175.378 0.000 . 1 . . . . . 89 Ser C . 26857 1 339 . 1 . 1 89 89 SER CA C 13 60.550 0.003 . 1 . . . . . 89 Ser CA . 26857 1 340 . 1 . 1 89 89 SER CB C 13 62.358 0.000 . 1 . . . . . 89 Ser CB . 26857 1 341 . 1 . 1 89 89 SER N N 15 117.471 0.093 . 1 . . . . . 89 Ser N . 26857 1 342 . 1 . 1 90 90 PHE H H 1 7.514 0.005 . 1 . . . . . 90 Phe H . 26857 1 343 . 1 . 1 90 90 PHE C C 13 175.378 0.000 . 1 . . . . . 90 Phe C . 26857 1 344 . 1 . 1 90 90 PHE CA C 13 57.463 0.052 . 1 . . . . . 90 Phe CA . 26857 1 345 . 1 . 1 90 90 PHE CB C 13 37.717 0.000 . 1 . . . . . 90 Phe CB . 26857 1 346 . 1 . 1 90 90 PHE N N 15 116.882 0.043 . 1 . . . . . 90 Phe N . 26857 1 347 . 1 . 1 91 91 LEU H H 1 7.377 0.010 . 1 . . . . . 91 Leu H . 26857 1 348 . 1 . 1 91 91 LEU C C 13 176.458 0.000 . 1 . . . . . 91 Leu C . 26857 1 349 . 1 . 1 91 91 LEU CA C 13 54.182 0.028 . 1 . . . . . 91 Leu CA . 26857 1 350 . 1 . 1 91 91 LEU CB C 13 41.688 0.009 . 1 . . . . . 91 Leu CB . 26857 1 351 . 1 . 1 91 91 LEU N N 15 119.260 0.233 . 1 . . . . . 91 Leu N . 26857 1 352 . 1 . 1 92 92 ALA H H 1 7.834 0.008 . 1 . . . . . 92 Ala H . 26857 1 353 . 1 . 1 92 92 ALA C C 13 177.533 0.000 . 1 . . . . . 92 Ala C . 26857 1 354 . 1 . 1 92 92 ALA CA C 13 52.875 0.015 . 1 . . . . . 92 Ala CA . 26857 1 355 . 1 . 1 92 92 ALA CB C 13 18.549 0.006 . 1 . . . . . 92 Ala CB . 26857 1 356 . 1 . 1 92 92 ALA N N 15 121.890 0.208 . 1 . . . . . 92 Ala N . 26857 1 357 . 1 . 1 93 93 ASP H H 1 8.371 0.019 . 1 . . . . . 93 Asp H . 26857 1 358 . 1 . 1 93 93 ASP C C 13 176.491 0.000 . 1 . . . . . 93 Asp C . 26857 1 359 . 1 . 1 93 93 ASP CA C 13 53.877 0.003 . 1 . . . . . 93 Asp CA . 26857 1 360 . 1 . 1 93 93 ASP CB C 13 40.116 0.000 . 1 . . . . . 93 Asp CB . 26857 1 361 . 1 . 1 93 93 ASP N N 15 118.398 0.022 . 1 . . . . . 93 Asp N . 26857 1 362 . 1 . 1 94 94 SER H H 1 8.029 0.009 . 1 . . . . . 94 Ser H . 26857 1 363 . 1 . 1 94 94 SER C C 13 175.423 0.000 . 1 . . . . . 94 Ser C . 26857 1 364 . 1 . 1 94 94 SER CA C 13 58.460 0.024 . 1 . . . . . 94 Ser CA . 26857 1 365 . 1 . 1 94 94 SER CB C 13 63.206 0.002 . 1 . . . . . 94 Ser CB . 26857 1 366 . 1 . 1 94 94 SER N N 15 114.848 0.059 . 1 . . . . . 94 Ser N . 26857 1 367 . 1 . 1 95 95 GLY H H 1 8.481 0.009 . 1 . . . . . 95 Gly H . 26857 1 368 . 1 . 1 95 95 GLY C C 13 175.390 0.000 . 1 . . . . . 95 Gly C . 26857 1 369 . 1 . 1 95 95 GLY CA C 13 45.751 0.015 . 1 . . . . . 95 Gly CA . 26857 1 370 . 1 . 1 95 95 GLY N N 15 110.254 0.052 . 1 . . . . . 95 Gly N . 26857 1 371 . 1 . 1 96 96 GLY H H 1 8.454 0.008 . 1 . . . . . 96 Gly H . 26857 1 372 . 1 . 1 96 96 GLY C C 13 175.736 0.000 . 1 . . . . . 96 Gly C . 26857 1 373 . 1 . 1 96 96 GLY CA C 13 46.049 0.009 . 1 . . . . . 96 Gly CA . 26857 1 374 . 1 . 1 96 96 GLY N N 15 109.016 0.029 . 1 . . . . . 96 Gly N . 26857 1 375 . 1 . 1 97 97 TRP H H 1 7.991 0.008 . 1 . . . . . 97 Trp H . 26857 1 376 . 1 . 1 97 97 TRP C C 13 177.963 0.000 . 1 . . . . . 97 Trp C . 26857 1 377 . 1 . 1 97 97 TRP CA C 13 58.475 0.004 . 1 . . . . . 97 Trp CA . 26857 1 378 . 1 . 1 97 97 TRP N N 15 119.517 0.090 . 1 . . . . . 97 Trp N . 26857 1 379 . 1 . 1 98 98 GLN H H 1 8.528 0.010 . 1 . . . . . 98 Gln H . 26857 1 380 . 1 . 1 98 98 GLN C C 13 177.367 0.000 . 1 . . . . . 98 Gln C . 26857 1 381 . 1 . 1 98 98 GLN CA C 13 60.037 0.005 . 1 . . . . . 98 Gln CA . 26857 1 382 . 1 . 1 98 98 GLN CB C 13 26.762 0.000 . 1 . . . . . 98 Gln CB . 26857 1 383 . 1 . 1 98 98 GLN N N 15 120.935 0.134 . 1 . . . . . 98 Gln N . 26857 1 384 . 1 . 1 99 99 ARG H H 1 7.942 0.009 . 1 . . . . . 99 Arg H . 26857 1 385 . 1 . 1 99 99 ARG CA C 13 57.731 0.000 . 1 . . . . . 99 Arg CA . 26857 1 386 . 1 . 1 99 99 ARG CB C 13 28.869 0.000 . 1 . . . . . 99 Arg CB . 26857 1 387 . 1 . 1 99 99 ARG N N 15 116.811 0.058 . 1 . . . . . 99 Arg N . 26857 1 388 . 1 . 1 100 100 TRP H H 1 7.877 0.001 . 1 . . . . . 100 Trp H . 26857 1 389 . 1 . 1 100 100 TRP C C 13 178.638 0.000 . 1 . . . . . 100 Trp C . 26857 1 390 . 1 . 1 100 100 TRP CA C 13 57.622 0.057 . 1 . . . . . 100 Trp CA . 26857 1 391 . 1 . 1 100 100 TRP N N 15 113.023 0.002 . 1 . . . . . 100 Trp N . 26857 1 392 . 1 . 1 101 101 PHE H H 1 8.420 0.006 . 1 . . . . . 101 Phe H . 26857 1 393 . 1 . 1 101 101 PHE C C 13 177.635 0.000 . 1 . . . . . 101 Phe C . 26857 1 394 . 1 . 1 101 101 PHE CA C 13 60.991 0.036 . 1 . . . . . 101 Phe CA . 26857 1 395 . 1 . 1 101 101 PHE CB C 13 38.534 0.000 . 1 . . . . . 101 Phe CB . 26857 1 396 . 1 . 1 101 101 PHE N N 15 120.515 0.043 . 1 . . . . . 101 Phe N . 26857 1 397 . 1 . 1 102 102 PHE H H 1 8.548 0.007 . 1 . . . . . 102 Phe H . 26857 1 398 . 1 . 1 102 102 PHE C C 13 179.591 0.000 . 1 . . . . . 102 Phe C . 26857 1 399 . 1 . 1 102 102 PHE CA C 13 58.860 0.061 . 1 . . . . . 102 Phe CA . 26857 1 400 . 1 . 1 102 102 PHE CB C 13 36.630 0.000 . 1 . . . . . 102 Phe CB . 26857 1 401 . 1 . 1 102 102 PHE N N 15 116.978 0.054 . 1 . . . . . 102 Phe N . 26857 1 402 . 1 . 1 103 103 ALA H H 1 8.118 0.011 . 1 . . . . . 103 Ala H . 26857 1 403 . 1 . 1 103 103 ALA C C 13 179.591 0.000 . 1 . . . . . 103 Ala C . 26857 1 404 . 1 . 1 103 103 ALA CA C 13 54.648 0.006 . 1 . . . . . 103 Ala CA . 26857 1 405 . 1 . 1 103 103 ALA CB C 13 17.918 0.054 . 1 . . . . . 103 Ala CB . 26857 1 406 . 1 . 1 103 103 ALA N N 15 121.184 0.058 . 1 . . . . . 103 Ala N . 26857 1 407 . 1 . 1 104 104 GLY H H 1 8.992 0.010 . 1 . . . . . 104 Gly H . 26857 1 408 . 1 . 1 104 104 GLY C C 13 179.179 0.000 . 1 . . . . . 104 Gly C . 26857 1 409 . 1 . 1 104 104 GLY CA C 13 47.232 0.007 . 1 . . . . . 104 Gly CA . 26857 1 410 . 1 . 1 104 104 GLY N N 15 105.762 0.036 . 1 . . . . . 104 Gly N . 26857 1 411 . 1 . 1 105 105 ILE H H 1 8.289 0.008 . 1 . . . . . 105 Ile H . 26857 1 412 . 1 . 1 105 105 ILE C C 13 175.452 0.000 . 1 . . . . . 105 Ile C . 26857 1 413 . 1 . 1 105 105 ILE CA C 13 64.357 0.000 . 1 . . . . . 105 Ile CA . 26857 1 414 . 1 . 1 105 105 ILE CB C 13 36.755 0.000 . 1 . . . . . 105 Ile CB . 26857 1 415 . 1 . 1 105 105 ILE N N 15 119.220 0.044 . 1 . . . . . 105 Ile N . 26857 1 416 . 1 . 1 106 106 ALA H H 1 7.581 0.010 . 1 . . . . . 106 Ala H . 26857 1 417 . 1 . 1 106 106 ALA C C 13 176.849 0.000 . 1 . . . . . 106 Ala C . 26857 1 418 . 1 . 1 106 106 ALA CA C 13 55.224 0.016 . 1 . . . . . 106 Ala CA . 26857 1 419 . 1 . 1 106 106 ALA CB C 13 18.447 0.000 . 1 . . . . . 106 Ala CB . 26857 1 420 . 1 . 1 106 106 ALA N N 15 120.394 0.033 . 1 . . . . . 106 Ala N . 26857 1 421 . 1 . 1 107 107 ILE H H 1 8.623 0.017 . 1 . . . . . 107 Ile H . 26857 1 422 . 1 . 1 107 107 ILE C C 13 177.099 0.000 . 1 . . . . . 107 Ile C . 26857 1 423 . 1 . 1 107 107 ILE CA C 13 64.751 0.014 . 1 . . . . . 107 Ile CA . 26857 1 424 . 1 . 1 107 107 ILE CB C 13 37.083 0.000 . 1 . . . . . 107 Ile CB . 26857 1 425 . 1 . 1 107 107 ILE N N 15 118.501 0.054 . 1 . . . . . 107 Ile N . 26857 1 426 . 1 . 1 108 108 GLY H H 1 8.699 0.011 . 1 . . . . . 108 Gly H . 26857 1 427 . 1 . 1 108 108 GLY C C 13 177.099 0.000 . 1 . . . . . 108 Gly C . 26857 1 428 . 1 . 1 108 108 GLY CA C 13 47.480 0.004 . 1 . . . . . 108 Gly CA . 26857 1 429 . 1 . 1 108 108 GLY N N 15 106.049 0.053 . 1 . . . . . 108 Gly N . 26857 1 430 . 1 . 1 109 109 ILE H H 1 8.489 0.008 . 1 . . . . . 109 Ile H . 26857 1 431 . 1 . 1 109 109 ILE C C 13 176.888 0.000 . 1 . . . . . 109 Ile C . 26857 1 432 . 1 . 1 109 109 ILE CA C 13 63.613 0.038 . 1 . . . . . 109 Ile CA . 26857 1 433 . 1 . 1 109 109 ILE CB C 13 35.530 0.000 . 1 . . . . . 109 Ile CB . 26857 1 434 . 1 . 1 109 109 ILE N N 15 118.045 0.035 . 1 . . . . . 109 Ile N . 26857 1 435 . 1 . 1 110 110 SER H H 1 7.608 0.009 . 1 . . . . . 110 Ser H . 26857 1 436 . 1 . 1 110 110 SER C C 13 176.888 0.000 . 1 . . . . . 110 Ser C . 26857 1 437 . 1 . 1 110 110 SER CA C 13 64.055 0.019 . 1 . . . . . 110 Ser CA . 26857 1 438 . 1 . 1 110 110 SER CB C 13 61.995 0.000 . 1 . . . . . 110 Ser CB . 26857 1 439 . 1 . 1 110 110 SER N N 15 115.770 0.021 . 1 . . . . . 110 Ser N . 26857 1 440 . 1 . 1 111 111 VAL H H 1 8.158 0.004 . 1 . . . . . 111 Val H . 26857 1 441 . 1 . 1 111 111 VAL C C 13 174.917 0.000 . 1 . . . . . 111 Val C . 26857 1 442 . 1 . 1 111 111 VAL CA C 13 66.563 0.002 . 1 . . . . . 111 Val CA . 26857 1 443 . 1 . 1 111 111 VAL CB C 13 30.505 0.000 . 1 . . . . . 111 Val CB . 26857 1 444 . 1 . 1 111 111 VAL N N 15 118.864 0.030 . 1 . . . . . 111 Val N . 26857 1 445 . 1 . 1 112 112 ILE H H 1 7.735 0.007 . 1 . . . . . 112 Ile H . 26857 1 446 . 1 . 1 112 112 ILE C C 13 177.789 0.000 . 1 . . . . . 112 Ile C . 26857 1 447 . 1 . 1 112 112 ILE CA C 13 65.192 0.002 . 1 . . . . . 112 Ile CA . 26857 1 448 . 1 . 1 112 112 ILE CB C 13 36.984 0.000 . 1 . . . . . 112 Ile CB . 26857 1 449 . 1 . 1 112 112 ILE N N 15 117.662 0.044 . 1 . . . . . 112 Ile N . 26857 1 450 . 1 . 1 113 113 LEU H H 1 8.346 0.004 . 1 . . . . . 113 Leu H . 26857 1 451 . 1 . 1 113 113 LEU C C 13 178.437 0.000 . 1 . . . . . 113 Leu C . 26857 1 452 . 1 . 1 113 113 LEU CA C 13 57.242 0.019 . 1 . . . . . 113 Leu CA . 26857 1 453 . 1 . 1 113 113 LEU CB C 13 40.160 0.000 . 1 . . . . . 113 Leu CB . 26857 1 454 . 1 . 1 113 113 LEU N N 15 117.418 0.072 . 1 . . . . . 113 Leu N . 26857 1 455 . 1 . 1 114 114 ALA H H 1 8.217 0.018 . 1 . . . . . 114 Ala H . 26857 1 456 . 1 . 1 114 114 ALA C C 13 179.948 0.000 . 1 . . . . . 114 Ala C . 26857 1 457 . 1 . 1 114 114 ALA CA C 13 54.875 0.001 . 1 . . . . . 114 Ala CA . 26857 1 458 . 1 . 1 114 114 ALA CB C 13 16.865 0.000 . 1 . . . . . 114 Ala CB . 26857 1 459 . 1 . 1 114 114 ALA N N 15 122.366 0.094 . 1 . . . . . 114 Ala N . 26857 1 460 . 1 . 1 115 115 VAL H H 1 8.093 0.004 . 1 . . . . . 115 Val H . 26857 1 461 . 1 . 1 115 115 VAL C C 13 178.221 0.000 . 1 . . . . . 115 Val C . 26857 1 462 . 1 . 1 115 115 VAL CA C 13 66.655 0.010 . 1 . . . . . 115 Val CA . 26857 1 463 . 1 . 1 115 115 VAL CB C 13 30.071 0.000 . 1 . . . . . 115 Val CB . 26857 1 464 . 1 . 1 115 115 VAL N N 15 118.536 0.059 . 1 . . . . . 115 Val N . 26857 1 465 . 1 . 1 116 116 MET H H 1 8.066 0.017 . 1 . . . . . 116 Met H . 26857 1 466 . 1 . 1 116 116 MET C C 13 179.956 0.000 . 1 . . . . . 116 Met C . 26857 1 467 . 1 . 1 116 116 MET CA C 13 58.392 0.027 . 1 . . . . . 116 Met CA . 26857 1 468 . 1 . 1 116 116 MET CB C 13 30.360 0.000 . 1 . . . . . 116 Met CB . 26857 1 469 . 1 . 1 116 116 MET N N 15 118.407 0.138 . 1 . . . . . 116 Met N . 26857 1 470 . 1 . 1 117 117 MET H H 1 8.384 0.009 . 1 . . . . . 117 Met H . 26857 1 471 . 1 . 1 117 117 MET C C 13 178.882 0.000 . 1 . . . . . 117 Met C . 26857 1 472 . 1 . 1 117 117 MET CA C 13 59.222 0.020 . 1 . . . . . 117 Met CA . 26857 1 473 . 1 . 1 117 117 MET CB C 13 34.522 0.000 . 1 . . . . . 117 Met CB . 26857 1 474 . 1 . 1 117 117 MET N N 15 120.229 0.043 . 1 . . . . . 117 Met N . 26857 1 475 . 1 . 1 118 118 TYR H H 1 8.275 0.008 . 1 . . . . . 118 Tyr H . 26857 1 476 . 1 . 1 118 118 TYR C C 13 175.673 0.000 . 1 . . . . . 118 Tyr C . 26857 1 477 . 1 . 1 118 118 TYR CA C 13 60.433 0.028 . 1 . . . . . 118 Tyr CA . 26857 1 478 . 1 . 1 118 118 TYR CB C 13 37.725 0.000 . 1 . . . . . 118 Tyr CB . 26857 1 479 . 1 . 1 118 118 TYR N N 15 120.611 0.048 . 1 . . . . . 118 Tyr N . 26857 1 480 . 1 . 1 119 119 ARG H H 1 7.949 0.010 . 1 . . . . . 119 Arg H . 26857 1 481 . 1 . 1 119 119 ARG C C 13 175.673 0.000 . 1 . . . . . 119 Arg C . 26857 1 482 . 1 . 1 119 119 ARG CA C 13 56.223 0.001 . 1 . . . . . 119 Arg CA . 26857 1 483 . 1 . 1 119 119 ARG CB C 13 29.832 0.000 . 1 . . . . . 119 Arg CB . 26857 1 484 . 1 . 1 119 119 ARG N N 15 113.633 0.084 . 1 . . . . . 119 Arg N . 26857 1 485 . 1 . 1 120 120 SER H H 1 7.764 0.005 . 1 . . . . . 120 Ser H . 26857 1 486 . 1 . 1 120 120 SER C C 13 174.339 0.000 . 1 . . . . . 120 Ser C . 26857 1 487 . 1 . 1 120 120 SER CA C 13 57.399 0.003 . 1 . . . . . 120 Ser CA . 26857 1 488 . 1 . 1 120 120 SER CB C 13 64.546 0.001 . 1 . . . . . 120 Ser CB . 26857 1 489 . 1 . 1 120 120 SER N N 15 115.943 0.023 . 1 . . . . . 120 Ser N . 26857 1 490 . 1 . 1 121 121 LYS H H 1 8.627 0.011 . 1 . . . . . 121 Lys H . 26857 1 491 . 1 . 1 121 121 LYS C C 13 179.123 0.000 . 1 . . . . . 121 Lys C . 26857 1 492 . 1 . 1 121 121 LYS CA C 13 55.249 0.054 . 1 . . . . . 121 Lys CA . 26857 1 493 . 1 . 1 121 121 LYS CB C 13 33.592 0.006 . 1 . . . . . 121 Lys CB . 26857 1 494 . 1 . 1 121 121 LYS N N 15 120.348 0.083 . 1 . . . . . 121 Lys N . 26857 1 495 . 1 . 1 122 122 ALA H H 1 8.330 0.010 . 1 . . . . . 122 Ala H . 26857 1 496 . 1 . 1 122 122 ALA C C 13 178.715 0.000 . 1 . . . . . 122 Ala C . 26857 1 497 . 1 . 1 122 122 ALA CA C 13 55.386 0.000 . 1 . . . . . 122 Ala CA . 26857 1 498 . 1 . 1 122 122 ALA CB C 13 17.794 0.000 . 1 . . . . . 122 Ala CB . 26857 1 499 . 1 . 1 122 122 ALA N N 15 123.659 0.086 . 1 . . . . . 122 Ala N . 26857 1 500 . 1 . 1 123 123 THR H H 1 7.217 0.006 . 1 . . . . . 123 Thr H . 26857 1 501 . 1 . 1 123 123 THR C C 13 178.715 0.000 . 1 . . . . . 123 Thr C . 26857 1 502 . 1 . 1 123 123 THR CA C 13 62.141 0.016 . 1 . . . . . 123 Thr CA . 26857 1 503 . 1 . 1 123 123 THR CB C 13 68.097 0.016 . 1 . . . . . 123 Thr CB . 26857 1 504 . 1 . 1 123 123 THR N N 15 102.236 0.053 . 1 . . . . . 123 Thr N . 26857 1 505 . 1 . 1 124 124 GLN H H 1 7.529 0.014 . 1 . . . . . 124 Gln H . 26857 1 506 . 1 . 1 124 124 GLN C C 13 175.984 0.000 . 1 . . . . . 124 Gln C . 26857 1 507 . 1 . 1 124 124 GLN CA C 13 54.805 0.012 . 1 . . . . . 124 Gln CA . 26857 1 508 . 1 . 1 124 124 GLN CB C 13 26.310 0.033 . 1 . . . . . 124 Gln CB . 26857 1 509 . 1 . 1 124 124 GLN N N 15 123.838 0.089 . 1 . . . . . 124 Gln N . 26857 1 510 . 1 . 1 125 125 LYS H H 1 7.807 0.009 . 1 . . . . . 125 Lys H . 26857 1 511 . 1 . 1 125 125 LYS C C 13 175.984 0.000 . 1 . . . . . 125 Lys C . 26857 1 512 . 1 . 1 125 125 LYS CA C 13 60.298 0.021 . 1 . . . . . 125 Lys CA . 26857 1 513 . 1 . 1 125 125 LYS CB C 13 32.031 0.047 . 1 . . . . . 125 Lys CB . 26857 1 514 . 1 . 1 125 125 LYS N N 15 122.557 0.026 . 1 . . . . . 125 Lys N . 26857 1 515 . 1 . 1 126 126 LEU H H 1 8.396 0.007 . 1 . . . . . 126 Leu H . 26857 1 516 . 1 . 1 126 126 LEU C C 13 177.965 0.000 . 1 . . . . . 126 Leu C . 26857 1 517 . 1 . 1 126 126 LEU CA C 13 58.745 0.027 . 1 . . . . . 126 Leu CA . 26857 1 518 . 1 . 1 126 126 LEU CB C 13 40.182 0.000 . 1 . . . . . 126 Leu CB . 26857 1 519 . 1 . 1 126 126 LEU N N 15 118.073 0.042 . 1 . . . . . 126 Leu N . 26857 1 520 . 1 . 1 127 127 ASN H H 1 7.935 0.012 . 1 . . . . . 127 Asn H . 26857 1 521 . 1 . 1 127 127 ASN C C 13 174.753 0.000 . 1 . . . . . 127 Asn C . 26857 1 522 . 1 . 1 127 127 ASN CA C 13 55.712 0.008 . 1 . . . . . 127 Asn CA . 26857 1 523 . 1 . 1 127 127 ASN CB C 13 36.759 0.000 . 1 . . . . . 127 Asn CB . 26857 1 524 . 1 . 1 127 127 ASN N N 15 113.441 0.200 . 1 . . . . . 127 Asn N . 26857 1 525 . 1 . 1 128 128 ASN H H 1 6.768 0.008 . 1 . . . . . 128 Asn H . 26857 1 526 . 1 . 1 128 128 ASN C C 13 177.356 0.000 . 1 . . . . . 128 Asn C . 26857 1 527 . 1 . 1 128 128 ASN CA C 13 56.636 0.000 . 1 . . . . . 128 Asn CA . 26857 1 528 . 1 . 1 128 128 ASN N N 15 112.520 0.181 . 1 . . . . . 128 Asn N . 26857 1 529 . 1 . 1 129 129 ILE H H 1 7.851 0.008 . 1 . . . . . 129 Ile H . 26857 1 530 . 1 . 1 129 129 ILE C C 13 177.356 0.000 . 1 . . . . . 129 Ile C . 26857 1 531 . 1 . 1 129 129 ILE CA C 13 65.205 0.023 . 1 . . . . . 129 Ile CA . 26857 1 532 . 1 . 1 129 129 ILE CB C 13 36.670 0.000 . 1 . . . . . 129 Ile CB . 26857 1 533 . 1 . 1 129 129 ILE N N 15 119.352 0.026 . 1 . . . . . 129 Ile N . 26857 1 534 . 1 . 1 130 130 ALA H H 1 7.687 0.015 . 1 . . . . . 130 Ala H . 26857 1 535 . 1 . 1 130 130 ALA C C 13 179.714 0.000 . 1 . . . . . 130 Ala C . 26857 1 536 . 1 . 1 130 130 ALA CA C 13 55.522 0.010 . 1 . . . . . 130 Ala CA . 26857 1 537 . 1 . 1 130 130 ALA CB C 13 17.713 0.000 . 1 . . . . . 130 Ala CB . 26857 1 538 . 1 . 1 130 130 ALA N N 15 120.703 0.052 . 1 . . . . . 130 Ala N . 26857 1 539 . 1 . 1 131 131 TYR H H 1 8.192 0.015 . 1 . . . . . 131 Tyr H . 26857 1 540 . 1 . 1 131 131 TYR CA C 13 57.578 0.005 . 1 . . . . . 131 Tyr CA . 26857 1 541 . 1 . 1 131 131 TYR CB C 13 36.180 0.000 . 1 . . . . . 131 Tyr CB . 26857 1 542 . 1 . 1 131 131 TYR N N 15 114.240 0.046 . 1 . . . . . 131 Tyr N . 26857 1 543 . 1 . 1 132 132 ALA H H 1 8.327 0.006 . 1 . . . . . 132 Ala H . 26857 1 544 . 1 . 1 132 132 ALA C C 13 180.270 0.000 . 1 . . . . . 132 Ala C . 26857 1 545 . 1 . 1 132 132 ALA CA C 13 54.531 0.000 . 1 . . . . . 132 Ala CA . 26857 1 546 . 1 . 1 132 132 ALA CB C 13 18.351 0.000 . 1 . . . . . 132 Ala CB . 26857 1 547 . 1 . 1 132 132 ALA N N 15 119.785 0.070 . 1 . . . . . 132 Ala N . 26857 1 548 . 1 . 1 133 133 LEU H H 1 8.368 0.013 . 1 . . . . . 133 Leu H . 26857 1 549 . 1 . 1 133 133 LEU C C 13 178.754 0.000 . 1 . . . . . 133 Leu C . 26857 1 550 . 1 . 1 133 133 LEU CA C 13 58.155 0.000 . 1 . . . . . 133 Leu CA . 26857 1 551 . 1 . 1 133 133 LEU CB C 13 40.215 0.000 . 1 . . . . . 133 Leu CB . 26857 1 552 . 1 . 1 133 133 LEU N N 15 117.739 0.045 . 1 . . . . . 133 Leu N . 26857 1 553 . 1 . 1 134 134 ILE H H 1 7.783 0.007 . 1 . . . . . 134 Ile H . 26857 1 554 . 1 . 1 134 134 ILE C C 13 180.218 0.000 . 1 . . . . . 134 Ile C . 26857 1 555 . 1 . 1 134 134 ILE CA C 13 65.460 0.000 . 1 . . . . . 134 Ile CA . 26857 1 556 . 1 . 1 134 134 ILE CB C 13 37.006 0.000 . 1 . . . . . 134 Ile CB . 26857 1 557 . 1 . 1 134 134 ILE N N 15 116.891 0.043 . 1 . . . . . 134 Ile N . 26857 1 558 . 1 . 1 135 135 ILE H H 1 8.631 0.008 . 1 . . . . . 135 Ile H . 26857 1 559 . 1 . 1 135 135 ILE C C 13 178.515 0.000 . 1 . . . . . 135 Ile C . 26857 1 560 . 1 . 1 135 135 ILE CA C 13 65.566 0.029 . 1 . . . . . 135 Ile CA . 26857 1 561 . 1 . 1 135 135 ILE CB C 13 37.537 0.000 . 1 . . . . . 135 Ile CB . 26857 1 562 . 1 . 1 135 135 ILE N N 15 118.594 0.023 . 1 . . . . . 135 Ile N . 26857 1 563 . 1 . 1 136 136 GLY H H 1 8.901 0.008 . 1 . . . . . 136 Gly H . 26857 1 564 . 1 . 1 136 136 GLY C C 13 178.515 0.000 . 1 . . . . . 136 Gly C . 26857 1 565 . 1 . 1 136 136 GLY CA C 13 47.914 0.021 . 1 . . . . . 136 Gly CA . 26857 1 566 . 1 . 1 136 136 GLY N N 15 104.369 0.040 . 1 . . . . . 136 Gly N . 26857 1 567 . 1 . 1 137 137 GLY H H 1 8.571 0.009 . 1 . . . . . 137 Gly H . 26857 1 568 . 1 . 1 137 137 GLY C C 13 175.296 0.000 . 1 . . . . . 137 Gly C . 26857 1 569 . 1 . 1 137 137 GLY CA C 13 46.786 0.003 . 1 . . . . . 137 Gly CA . 26857 1 570 . 1 . 1 137 137 GLY N N 15 107.464 0.021 . 1 . . . . . 137 Gly N . 26857 1 571 . 1 . 1 138 138 ALA H H 1 9.183 0.011 . 1 . . . . . 138 Ala H . 26857 1 572 . 1 . 1 138 138 ALA C C 13 182.035 0.000 . 1 . . . . . 138 Ala C . 26857 1 573 . 1 . 1 138 138 ALA CA C 13 54.623 0.016 . 1 . . . . . 138 Ala CA . 26857 1 574 . 1 . 1 138 138 ALA CB C 13 18.099 0.000 . 1 . . . . . 138 Ala CB . 26857 1 575 . 1 . 1 138 138 ALA N N 15 124.088 0.034 . 1 . . . . . 138 Ala N . 26857 1 576 . 1 . 1 139 139 LEU H H 1 8.863 0.005 . 1 . . . . . 139 Leu H . 26857 1 577 . 1 . 1 139 139 LEU C C 13 178.029 0.000 . 1 . . . . . 139 Leu C . 26857 1 578 . 1 . 1 139 139 LEU CA C 13 56.652 0.013 . 1 . . . . . 139 Leu CA . 26857 1 579 . 1 . 1 139 139 LEU CB C 13 40.219 0.000 . 1 . . . . . 139 Leu CB . 26857 1 580 . 1 . 1 139 139 LEU N N 15 116.601 0.053 . 1 . . . . . 139 Leu N . 26857 1 581 . 1 . 1 140 140 GLY H H 1 8.499 0.017 . 1 . . . . . 140 Gly H . 26857 1 582 . 1 . 1 140 140 GLY C C 13 175.796 0.000 . 1 . . . . . 140 Gly C . 26857 1 583 . 1 . 1 140 140 GLY CA C 13 48.014 0.003 . 1 . . . . . 140 Gly CA . 26857 1 584 . 1 . 1 140 140 GLY N N 15 110.362 0.031 . 1 . . . . . 140 Gly N . 26857 1 585 . 1 . 1 141 141 ASN H H 1 7.634 0.005 . 1 . . . . . 141 Asn H . 26857 1 586 . 1 . 1 141 141 ASN C C 13 177.762 0.000 . 1 . . . . . 141 Asn C . 26857 1 587 . 1 . 1 141 141 ASN CA C 13 54.987 0.006 . 1 . . . . . 141 Asn CA . 26857 1 588 . 1 . 1 141 141 ASN CB C 13 37.209 0.044 . 1 . . . . . 141 Asn CB . 26857 1 589 . 1 . 1 141 141 ASN N N 15 116.257 0.169 . 1 . . . . . 141 Asn N . 26857 1 590 . 1 . 1 142 142 LEU H H 1 7.738 0.014 . 1 . . . . . 142 Leu H . 26857 1 591 . 1 . 1 142 142 LEU C C 13 177.813 0.000 . 1 . . . . . 142 Leu C . 26857 1 592 . 1 . 1 142 142 LEU CA C 13 58.205 0.026 . 1 . . . . . 142 Leu CA . 26857 1 593 . 1 . 1 142 142 LEU CB C 13 40.995 0.000 . 1 . . . . . 142 Leu CB . 26857 1 594 . 1 . 1 142 142 LEU N N 15 121.514 0.065 . 1 . . . . . 142 Leu N . 26857 1 595 . 1 . 1 143 143 PHE H H 1 9.035 0.011 . 1 . . . . . 143 Phe H . 26857 1 596 . 1 . 1 143 143 PHE C C 13 177.223 0.000 . 1 . . . . . 143 Phe C . 26857 1 597 . 1 . 1 143 143 PHE CA C 13 60.349 0.015 . 1 . . . . . 143 Phe CA . 26857 1 598 . 1 . 1 143 143 PHE CB C 13 37.172 0.040 . 1 . . . . . 143 Phe CB . 26857 1 599 . 1 . 1 143 143 PHE N N 15 117.465 0.058 . 1 . . . . . 143 Phe N . 26857 1 600 . 1 . 1 144 144 ASP H H 1 7.851 0.022 . 1 . . . . . 144 Asp H . 26857 1 601 . 1 . 1 144 144 ASP C C 13 177.094 0.000 . 1 . . . . . 144 Asp C . 26857 1 602 . 1 . 1 144 144 ASP CA C 13 57.247 0.025 . 1 . . . . . 144 Asp CA . 26857 1 603 . 1 . 1 144 144 ASP CB C 13 43.224 0.000 . 1 . . . . . 144 Asp CB . 26857 1 604 . 1 . 1 144 144 ASP N N 15 117.556 0.024 . 1 . . . . . 144 Asp N . 26857 1 605 . 1 . 1 145 145 ARG H H 1 7.899 0.010 . 1 . . . . . 145 Arg H . 26857 1 606 . 1 . 1 145 145 ARG C C 13 180.836 0.000 . 1 . . . . . 145 Arg C . 26857 1 607 . 1 . 1 145 145 ARG CA C 13 58.898 0.036 . 1 . . . . . 145 Arg CA . 26857 1 608 . 1 . 1 145 145 ARG CB C 13 29.065 0.000 . 1 . . . . . 145 Arg CB . 26857 1 609 . 1 . 1 145 145 ARG N N 15 117.510 0.030 . 1 . . . . . 145 Arg N . 26857 1 610 . 1 . 1 146 146 LEU H H 1 8.532 0.008 . 1 . . . . . 146 Leu H . 26857 1 611 . 1 . 1 146 146 LEU C C 13 177.215 0.000 . 1 . . . . . 146 Leu C . 26857 1 612 . 1 . 1 146 146 LEU CA C 13 57.241 0.016 . 1 . . . . . 146 Leu CA . 26857 1 613 . 1 . 1 146 146 LEU CB C 13 41.199 0.000 . 1 . . . . . 146 Leu CB . 26857 1 614 . 1 . 1 146 146 LEU N N 15 118.797 0.078 . 1 . . . . . 146 Leu N . 26857 1 615 . 1 . 1 147 147 TRP H H 1 8.205 0.011 . 1 . . . . . 147 Trp H . 26857 1 616 . 1 . 1 147 147 TRP C C 13 177.504 0.000 . 1 . . . . . 147 Trp C . 26857 1 617 . 1 . 1 147 147 TRP CA C 13 58.355 0.003 . 1 . . . . . 147 Trp CA . 26857 1 618 . 1 . 1 147 147 TRP CB C 13 30.034 0.000 . 1 . . . . . 147 Trp CB . 26857 1 619 . 1 . 1 147 147 TRP N N 15 117.536 0.054 . 1 . . . . . 147 Trp N . 26857 1 620 . 1 . 1 148 148 HIS H H 1 8.686 0.011 . 1 . . . . . 148 His H . 26857 1 621 . 1 . 1 148 148 HIS C C 13 175.514 0.000 . 1 . . . . . 148 His C . 26857 1 622 . 1 . 1 148 148 HIS CA C 13 57.922 0.018 . 1 . . . . . 148 His CA . 26857 1 623 . 1 . 1 148 148 HIS CB C 13 28.363 0.000 . 1 . . . . . 148 His CB . 26857 1 624 . 1 . 1 148 148 HIS N N 15 110.155 0.073 . 1 . . . . . 148 His N . 26857 1 625 . 1 . 1 149 149 GLY H H 1 8.437 0.019 . 1 . . . . . 149 Gly H . 26857 1 626 . 1 . 1 149 149 GLY C C 13 172.360 0.000 . 1 . . . . . 149 Gly C . 26857 1 627 . 1 . 1 149 149 GLY CA C 13 44.638 0.025 . 1 . . . . . 149 Gly CA . 26857 1 628 . 1 . 1 149 149 GLY N N 15 107.347 0.051 . 1 . . . . . 149 Gly N . 26857 1 629 . 1 . 1 150 150 PHE H H 1 7.076 0.006 . 1 . . . . . 150 Phe H . 26857 1 630 . 1 . 1 150 150 PHE C C 13 171.575 0.000 . 1 . . . . . 150 Phe C . 26857 1 631 . 1 . 1 150 150 PHE CA C 13 54.134 0.012 . 1 . . . . . 150 Phe CA . 26857 1 632 . 1 . 1 150 150 PHE CB C 13 37.690 0.000 . 1 . . . . . 150 Phe CB . 26857 1 633 . 1 . 1 150 150 PHE N N 15 114.137 0.027 . 1 . . . . . 150 Phe N . 26857 1 634 . 1 . 1 151 151 VAL H H 1 8.227 0.007 . 1 . . . . . 151 Val H . 26857 1 635 . 1 . 1 151 151 VAL C C 13 175.912 0.000 . 1 . . . . . 151 Val C . 26857 1 636 . 1 . 1 151 151 VAL CA C 13 59.611 0.018 . 1 . . . . . 151 Val CA . 26857 1 637 . 1 . 1 151 151 VAL CB C 13 33.921 0.019 . 1 . . . . . 151 Val CB . 26857 1 638 . 1 . 1 151 151 VAL N N 15 115.893 0.036 . 1 . . . . . 151 Val N . 26857 1 639 . 1 . 1 152 152 VAL H H 1 10.345 0.017 . 1 . . . . . 152 Val H . 26857 1 640 . 1 . 1 152 152 VAL C C 13 175.912 0.000 . 1 . . . . . 152 Val C . 26857 1 641 . 1 . 1 152 152 VAL CA C 13 63.377 0.001 . 1 . . . . . 152 Val CA . 26857 1 642 . 1 . 1 152 152 VAL CB C 13 31.247 0.024 . 1 . . . . . 152 Val CB . 26857 1 643 . 1 . 1 152 152 VAL N N 15 130.775 0.026 . 1 . . . . . 152 Val N . 26857 1 644 . 1 . 1 153 153 ASP H H 1 8.838 0.009 . 1 . . . . . 153 Asp H . 26857 1 645 . 1 . 1 153 153 ASP C C 13 172.617 0.000 . 1 . . . . . 153 Asp C . 26857 1 646 . 1 . 1 153 153 ASP CA C 13 53.059 0.012 . 1 . . . . . 153 Asp CA . 26857 1 647 . 1 . 1 153 153 ASP CB C 13 42.123 0.009 . 1 . . . . . 153 Asp CB . 26857 1 648 . 1 . 1 153 153 ASP N N 15 125.201 0.040 . 1 . . . . . 153 Asp N . 26857 1 649 . 1 . 1 154 154 MET H H 1 7.862 0.014 . 1 . . . . . 154 Met H . 26857 1 650 . 1 . 1 154 154 MET C C 13 173.820 0.000 . 1 . . . . . 154 Met C . 26857 1 651 . 1 . 1 154 154 MET CA C 13 55.718 0.000 . 1 . . . . . 154 Met CA . 26857 1 652 . 1 . 1 154 154 MET CB C 13 30.393 0.000 . 1 . . . . . 154 Met CB . 26857 1 653 . 1 . 1 154 154 MET N N 15 117.337 0.132 . 1 . . . . . 154 Met N . 26857 1 654 . 1 . 1 155 155 ILE H H 1 9.124 0.011 . 1 . . . . . 155 Ile H . 26857 1 655 . 1 . 1 155 155 ILE C C 13 173.399 0.000 . 1 . . . . . 155 Ile C . 26857 1 656 . 1 . 1 155 155 ILE CA C 13 62.417 0.009 . 1 . . . . . 155 Ile CA . 26857 1 657 . 1 . 1 155 155 ILE CB C 13 35.366 0.003 . 1 . . . . . 155 Ile CB . 26857 1 658 . 1 . 1 155 155 ILE N N 15 124.832 0.025 . 1 . . . . . 155 Ile N . 26857 1 659 . 1 . 1 156 156 ASP H H 1 8.426 0.006 . 1 . . . . . 156 Asp H . 26857 1 660 . 1 . 1 156 156 ASP C C 13 173.122 0.000 . 1 . . . . . 156 Asp C . 26857 1 661 . 1 . 1 156 156 ASP CA C 13 52.355 0.008 . 1 . . . . . 156 Asp CA . 26857 1 662 . 1 . 1 156 156 ASP CB C 13 43.681 0.027 . 1 . . . . . 156 Asp CB . 26857 1 663 . 1 . 1 156 156 ASP N N 15 129.910 0.053 . 1 . . . . . 156 Asp N . 26857 1 664 . 1 . 1 157 157 PHE H H 1 9.746 0.021 . 1 . . . . . 157 Phe H . 26857 1 665 . 1 . 1 157 157 PHE C C 13 173.677 0.000 . 1 . . . . . 157 Phe C . 26857 1 666 . 1 . 1 157 157 PHE CA C 13 55.556 0.001 . 1 . . . . . 157 Phe CA . 26857 1 667 . 1 . 1 157 157 PHE CB C 13 40.967 0.008 . 1 . . . . . 157 Phe CB . 26857 1 668 . 1 . 1 157 157 PHE N N 15 128.042 0.056 . 1 . . . . . 157 Phe N . 26857 1 669 . 1 . 1 158 158 TYR H H 1 7.915 0.006 . 1 . . . . . 158 Tyr H . 26857 1 670 . 1 . 1 158 158 TYR C C 13 173.677 0.000 . 1 . . . . . 158 Tyr C . 26857 1 671 . 1 . 1 158 158 TYR CA C 13 54.521 0.002 . 1 . . . . . 158 Tyr CA . 26857 1 672 . 1 . 1 158 158 TYR CB C 13 39.850 0.002 . 1 . . . . . 158 Tyr CB . 26857 1 673 . 1 . 1 158 158 TYR N N 15 122.406 0.057 . 1 . . . . . 158 Tyr N . 26857 1 674 . 1 . 1 159 159 VAL H H 1 8.601 0.009 . 1 . . . . . 159 Val H . 26857 1 675 . 1 . 1 159 159 VAL C C 13 176.625 0.000 . 1 . . . . . 159 Val C . 26857 1 676 . 1 . 1 159 159 VAL CA C 13 61.320 0.009 . 1 . . . . . 159 Val CA . 26857 1 677 . 1 . 1 159 159 VAL CB C 13 33.580 0.003 . 1 . . . . . 159 Val CB . 26857 1 678 . 1 . 1 159 159 VAL N N 15 117.566 0.060 . 1 . . . . . 159 Val N . 26857 1 679 . 1 . 1 160 160 GLY H H 1 9.161 0.007 . 1 . . . . . 160 Gly H . 26857 1 680 . 1 . 1 160 160 GLY C C 13 174.462 0.000 . 1 . . . . . 160 Gly C . 26857 1 681 . 1 . 1 160 160 GLY CA C 13 46.865 0.012 . 1 . . . . . 160 Gly CA . 26857 1 682 . 1 . 1 160 160 GLY N N 15 117.813 0.126 . 1 . . . . . 160 Gly N . 26857 1 683 . 1 . 1 161 161 ASP H H 1 8.730 0.026 . 1 . . . . . 161 Asp H . 26857 1 684 . 1 . 1 161 161 ASP C C 13 174.462 0.000 . 1 . . . . . 161 Asp C . 26857 1 685 . 1 . 1 161 161 ASP CA C 13 53.829 0.019 . 1 . . . . . 161 Asp CA . 26857 1 686 . 1 . 1 161 161 ASP CB C 13 40.387 0.038 . 1 . . . . . 161 Asp CB . 26857 1 687 . 1 . 1 161 161 ASP N N 15 125.192 0.030 . 1 . . . . . 161 Asp N . 26857 1 688 . 1 . 1 162 162 TRP H H 1 8.421 0.016 . 1 . . . . . 162 Trp H . 26857 1 689 . 1 . 1 162 162 TRP C C 13 174.800 0.000 . 1 . . . . . 162 Trp C . 26857 1 690 . 1 . 1 162 162 TRP CA C 13 57.532 0.005 . 1 . . . . . 162 Trp CA . 26857 1 691 . 1 . 1 162 162 TRP CB C 13 28.735 0.000 . 1 . . . . . 162 Trp CB . 26857 1 692 . 1 . 1 162 162 TRP N N 15 123.535 0.091 . 1 . . . . . 162 Trp N . 26857 1 693 . 1 . 1 163 163 HIS H H 1 8.197 0.006 . 1 . . . . . 163 His H . 26857 1 694 . 1 . 1 163 163 HIS C C 13 174.800 0.000 . 1 . . . . . 163 His C . 26857 1 695 . 1 . 1 163 163 HIS CA C 13 53.602 0.014 . 1 . . . . . 163 His CA . 26857 1 696 . 1 . 1 163 163 HIS CB C 13 29.176 0.000 . 1 . . . . . 163 His CB . 26857 1 697 . 1 . 1 163 163 HIS N N 15 123.732 0.060 . 1 . . . . . 163 His N . 26857 1 698 . 1 . 1 164 164 PHE H H 1 8.319 0.008 . 1 . . . . . 164 Phe H . 26857 1 699 . 1 . 1 164 164 PHE C C 13 174.571 0.000 . 1 . . . . . 164 Phe C . 26857 1 700 . 1 . 1 164 164 PHE CA C 13 56.569 0.041 . 1 . . . . . 164 Phe CA . 26857 1 701 . 1 . 1 164 164 PHE CB C 13 38.963 0.000 . 1 . . . . . 164 Phe CB . 26857 1 702 . 1 . 1 164 164 PHE N N 15 123.200 0.104 . 1 . . . . . 164 Phe N . 26857 1 703 . 1 . 1 165 165 ALA H H 1 6.720 0.027 . 1 . . . . . 165 Ala H . 26857 1 704 . 1 . 1 165 165 ALA C C 13 176.261 0.000 . 1 . . . . . 165 Ala C . 26857 1 705 . 1 . 1 165 165 ALA CA C 13 52.454 0.001 . 1 . . . . . 165 Ala CA . 26857 1 706 . 1 . 1 165 165 ALA CB C 13 18.718 0.000 . 1 . . . . . 165 Ala CB . 26857 1 707 . 1 . 1 165 165 ALA N N 15 127.339 0.047 . 1 . . . . . 165 Ala N . 26857 1 708 . 1 . 1 166 166 THR H H 1 7.996 0.016 . 1 . . . . . 166 Thr H . 26857 1 709 . 1 . 1 166 166 THR C C 13 176.923 0.000 . 1 . . . . . 166 Thr C . 26857 1 710 . 1 . 1 166 166 THR CA C 13 63.091 0.004 . 1 . . . . . 166 Thr CA . 26857 1 711 . 1 . 1 166 166 THR CB C 13 67.815 0.000 . 1 . . . . . 166 Thr CB . 26857 1 712 . 1 . 1 166 166 THR N N 15 118.795 0.112 . 1 . . . . . 166 Thr N . 26857 1 713 . 1 . 1 167 167 PHE H H 1 8.424 0.008 . 1 . . . . . 167 Phe H . 26857 1 714 . 1 . 1 167 167 PHE C C 13 175.199 0.000 . 1 . . . . . 167 Phe C . 26857 1 715 . 1 . 1 167 167 PHE CA C 13 55.631 0.000 . 1 . . . . . 167 Phe CA . 26857 1 716 . 1 . 1 167 167 PHE CB C 13 40.722 0.000 . 1 . . . . . 167 Phe CB . 26857 1 717 . 1 . 1 167 167 PHE N N 15 122.175 0.031 . 1 . . . . . 167 Phe N . 26857 1 718 . 1 . 1 168 168 ASN H H 1 8.549 0.022 . 1 . . . . . 168 Asn H . 26857 1 719 . 1 . 1 168 168 ASN C C 13 177.225 0.000 . 1 . . . . . 168 Asn C . 26857 1 720 . 1 . 1 168 168 ASN CA C 13 52.229 0.020 . 1 . . . . . 168 Asn CA . 26857 1 721 . 1 . 1 168 168 ASN CB C 13 40.080 0.021 . 1 . . . . . 168 Asn CB . 26857 1 722 . 1 . 1 168 168 ASN N N 15 118.873 0.045 . 1 . . . . . 168 Asn N . 26857 1 723 . 1 . 1 169 169 LEU H H 1 9.579 0.009 . 1 . . . . . 169 Leu H . 26857 1 724 . 1 . 1 169 169 LEU C C 13 178.315 0.000 . 1 . . . . . 169 Leu C . 26857 1 725 . 1 . 1 169 169 LEU CA C 13 57.748 0.000 . 1 . . . . . 169 Leu CA . 26857 1 726 . 1 . 1 169 169 LEU CB C 13 39.206 0.040 . 1 . . . . . 169 Leu CB . 26857 1 727 . 1 . 1 169 169 LEU N N 15 118.791 0.038 . 1 . . . . . 169 Leu N . 26857 1 728 . 1 . 1 170 170 ALA H H 1 7.869 0.008 . 1 . . . . . 170 Ala H . 26857 1 729 . 1 . 1 170 170 ALA C C 13 180.033 0.000 . 1 . . . . . 170 Ala C . 26857 1 730 . 1 . 1 170 170 ALA CA C 13 55.682 0.010 . 1 . . . . . 170 Ala CA . 26857 1 731 . 1 . 1 170 170 ALA CB C 13 17.124 0.008 . 1 . . . . . 170 Ala CB . 26857 1 732 . 1 . 1 170 170 ALA N N 15 127.641 0.058 . 1 . . . . . 170 Ala N . 26857 1 733 . 1 . 1 171 171 ASP H H 1 9.206 0.009 . 1 . . . . . 171 Asp H . 26857 1 734 . 1 . 1 171 171 ASP C C 13 178.739 0.000 . 1 . . . . . 171 Asp C . 26857 1 735 . 1 . 1 171 171 ASP CA C 13 57.399 0.041 . 1 . . . . . 171 Asp CA . 26857 1 736 . 1 . 1 171 171 ASP CB C 13 41.110 0.000 . 1 . . . . . 171 Asp CB . 26857 1 737 . 1 . 1 171 171 ASP N N 15 116.692 0.056 . 1 . . . . . 171 Asp N . 26857 1 738 . 1 . 1 172 172 THR H H 1 7.821 0.009 . 1 . . . . . 172 Thr H . 26857 1 739 . 1 . 1 172 172 THR C C 13 175.308 0.000 . 1 . . . . . 172 Thr C . 26857 1 740 . 1 . 1 172 172 THR CA C 13 67.323 0.084 . 1 . . . . . 172 Thr CA . 26857 1 741 . 1 . 1 172 172 THR N N 15 115.856 0.023 . 1 . . . . . 172 Thr N . 26857 1 742 . 1 . 1 173 173 ALA H H 1 8.581 0.009 . 1 . . . . . 173 Ala H . 26857 1 743 . 1 . 1 173 173 ALA C C 13 175.308 0.000 . 1 . . . . . 173 Ala C . 26857 1 744 . 1 . 1 173 173 ALA CA C 13 55.796 0.000 . 1 . . . . . 173 Ala CA . 26857 1 745 . 1 . 1 173 173 ALA CB C 13 17.169 0.007 . 1 . . . . . 173 Ala CB . 26857 1 746 . 1 . 1 173 173 ALA N N 15 124.005 0.042 . 1 . . . . . 173 Ala N . 26857 1 747 . 1 . 1 174 174 ILE H H 1 8.224 0.010 . 1 . . . . . 174 Ile H . 26857 1 748 . 1 . 1 174 174 ILE C C 13 178.794 0.000 . 1 . . . . . 174 Ile C . 26857 1 749 . 1 . 1 174 174 ILE CA C 13 65.151 0.000 . 1 . . . . . 174 Ile CA . 26857 1 750 . 1 . 1 174 174 ILE CB C 13 37.564 0.000 . 1 . . . . . 174 Ile CB . 26857 1 751 . 1 . 1 174 174 ILE N N 15 116.270 0.072 . 1 . . . . . 174 Ile N . 26857 1 752 . 1 . 1 175 175 CYS H H 1 8.041 0.011 . 1 . . . . . 175 Cys H . 26857 1 753 . 1 . 1 175 175 CYS C C 13 176.624 0.000 . 1 . . . . . 175 Cys C . 26857 1 754 . 1 . 1 175 175 CYS CA C 13 64.381 0.005 . 1 . . . . . 175 Cys CA . 26857 1 755 . 1 . 1 175 175 CYS CB C 13 26.736 0.000 . 1 . . . . . 175 Cys CB . 26857 1 756 . 1 . 1 175 175 CYS N N 15 115.419 0.113 . 1 . . . . . 175 Cys N . 26857 1 757 . 1 . 1 176 176 VAL H H 1 8.825 0.008 . 1 . . . . . 176 Val H . 26857 1 758 . 1 . 1 176 176 VAL C C 13 176.624 0.000 . 1 . . . . . 176 Val C . 26857 1 759 . 1 . 1 176 176 VAL CA C 13 66.596 0.012 . 1 . . . . . 176 Val CA . 26857 1 760 . 1 . 1 176 176 VAL CB C 13 30.268 0.000 . 1 . . . . . 176 Val CB . 26857 1 761 . 1 . 1 176 176 VAL N N 15 118.560 0.033 . 1 . . . . . 176 Val N . 26857 1 762 . 1 . 1 177 177 GLY H H 1 8.594 0.006 . 1 . . . . . 177 Gly H . 26857 1 763 . 1 . 1 177 177 GLY C C 13 177.590 0.000 . 1 . . . . . 177 Gly C . 26857 1 764 . 1 . 1 177 177 GLY CA C 13 48.012 0.009 . 1 . . . . . 177 Gly CA . 26857 1 765 . 1 . 1 177 177 GLY N N 15 106.150 0.023 . 1 . . . . . 177 Gly N . 26857 1 766 . 1 . 1 178 178 ALA H H 1 8.391 0.001 . 1 . . . . . 178 Ala H . 26857 1 767 . 1 . 1 178 178 ALA C C 13 174.831 0.000 . 1 . . . . . 178 Ala C . 26857 1 768 . 1 . 1 178 178 ALA CA C 13 55.032 0.007 . 1 . . . . . 178 Ala CA . 26857 1 769 . 1 . 1 178 178 ALA CB C 13 17.145 0.000 . 1 . . . . . 178 Ala CB . 26857 1 770 . 1 . 1 178 178 ALA N N 15 121.137 0.044 . 1 . . . . . 178 Ala N . 26857 1 771 . 1 . 1 179 179 ALA H H 1 8.302 0.003 . 1 . . . . . 179 Ala H . 26857 1 772 . 1 . 1 179 179 ALA C C 13 179.208 0.000 . 1 . . . . . 179 Ala C . 26857 1 773 . 1 . 1 179 179 ALA CA C 13 54.912 0.015 . 1 . . . . . 179 Ala CA . 26857 1 774 . 1 . 1 179 179 ALA CB C 13 17.195 0.000 . 1 . . . . . 179 Ala CB . 26857 1 775 . 1 . 1 179 179 ALA N N 15 118.226 0.035 . 1 . . . . . 179 Ala N . 26857 1 776 . 1 . 1 180 180 LEU H H 1 8.223 0.006 . 1 . . . . . 180 Leu H . 26857 1 777 . 1 . 1 180 180 LEU C C 13 178.400 0.000 . 1 . . . . . 180 Leu C . 26857 1 778 . 1 . 1 180 180 LEU CA C 13 57.783 0.049 . 1 . . . . . 180 Leu CA . 26857 1 779 . 1 . 1 180 180 LEU CB C 13 40.901 0.000 . 1 . . . . . 180 Leu CB . 26857 1 780 . 1 . 1 180 180 LEU N N 15 116.290 0.067 . 1 . . . . . 180 Leu N . 26857 1 781 . 1 . 1 181 181 ILE H H 1 7.479 0.018 . 1 . . . . . 181 Ile H . 26857 1 782 . 1 . 1 181 181 ILE C C 13 178.400 0.000 . 1 . . . . . 181 Ile C . 26857 1 783 . 1 . 1 181 181 ILE CA C 13 63.890 0.009 . 1 . . . . . 181 Ile CA . 26857 1 784 . 1 . 1 181 181 ILE CB C 13 36.673 0.000 . 1 . . . . . 181 Ile CB . 26857 1 785 . 1 . 1 181 181 ILE N N 15 117.160 0.092 . 1 . . . . . 181 Ile N . 26857 1 786 . 1 . 1 182 182 VAL H H 1 7.868 0.003 . 1 . . . . . 182 Val H . 26857 1 787 . 1 . 1 182 182 VAL C C 13 178.635 0.000 . 1 . . . . . 182 Val C . 26857 1 788 . 1 . 1 182 182 VAL CA C 13 66.194 0.026 . 1 . . . . . 182 Val CA . 26857 1 789 . 1 . 1 182 182 VAL N N 15 118.759 0.037 . 1 . . . . . 182 Val N . 26857 1 790 . 1 . 1 183 183 LEU H H 1 8.533 0.012 . 1 . . . . . 183 Leu H . 26857 1 791 . 1 . 1 183 183 LEU C C 13 178.003 0.000 . 1 . . . . . 183 Leu C . 26857 1 792 . 1 . 1 183 183 LEU CA C 13 57.647 0.001 . 1 . . . . . 183 Leu CA . 26857 1 793 . 1 . 1 183 183 LEU CB C 13 40.934 0.011 . 1 . . . . . 183 Leu CB . 26857 1 794 . 1 . 1 183 183 LEU N N 15 118.218 0.080 . 1 . . . . . 183 Leu N . 26857 1 795 . 1 . 1 184 184 GLU H H 1 7.999 0.009 . 1 . . . . . 184 Glu H . 26857 1 796 . 1 . 1 184 184 GLU C C 13 178.658 0.000 . 1 . . . . . 184 Glu C . 26857 1 797 . 1 . 1 184 184 GLU CA C 13 58.314 0.013 . 1 . . . . . 184 Glu CA . 26857 1 798 . 1 . 1 184 184 GLU CB C 13 27.687 0.023 . 1 . . . . . 184 Glu CB . 26857 1 799 . 1 . 1 184 184 GLU N N 15 116.277 0.139 . 1 . . . . . 184 Glu N . 26857 1 800 . 1 . 1 185 185 GLY H H 1 7.959 0.010 . 1 . . . . . 185 Gly H . 26857 1 801 . 1 . 1 185 185 GLY C C 13 174.067 0.000 . 1 . . . . . 185 Gly C . 26857 1 802 . 1 . 1 185 185 GLY CA C 13 45.738 0.011 . 1 . . . . . 185 Gly CA . 26857 1 803 . 1 . 1 185 185 GLY N N 15 104.458 0.084 . 1 . . . . . 185 Gly N . 26857 1 804 . 1 . 1 186 186 PHE H H 1 7.919 0.028 . 1 . . . . . 186 Phe H . 26857 1 805 . 1 . 1 186 186 PHE C C 13 174.067 0.000 . 1 . . . . . 186 Phe C . 26857 1 806 . 1 . 1 186 186 PHE CA C 13 58.282 0.077 . 1 . . . . . 186 Phe CA . 26857 1 807 . 1 . 1 186 186 PHE CB C 13 40.188 0.000 . 1 . . . . . 186 Phe CB . 26857 1 808 . 1 . 1 186 186 PHE N N 15 116.362 0.145 . 1 . . . . . 186 Phe N . 26857 1 809 . 1 . 1 187 187 LEU H H 1 7.547 0.019 . 1 . . . . . 187 Leu H . 26857 1 810 . 1 . 1 187 187 LEU C C 13 175.377 0.000 . 1 . . . . . 187 Leu C . 26857 1 811 . 1 . 1 187 187 LEU CA C 13 53.623 0.030 . 1 . . . . . 187 Leu CA . 26857 1 812 . 1 . 1 187 187 LEU N N 15 120.136 0.120 . 1 . . . . . 187 Leu N . 26857 1 813 . 1 . 1 188 188 PRO C C 13 176.320 0.000 . 1 . . . . . 188 Pro C . 26857 1 814 . 1 . 1 188 188 PRO CA C 13 62.256 0.000 . 1 . . . . . 188 Pro CA . 26857 1 815 . 1 . 1 189 189 SER H H 1 8.545 0.004 . 1 . . . . . 189 Ser H . 26857 1 816 . 1 . 1 189 189 SER C C 13 176.320 0.000 . 1 . . . . . 189 Ser C . 26857 1 817 . 1 . 1 189 189 SER CA C 13 58.255 0.020 . 1 . . . . . 189 Ser CA . 26857 1 818 . 1 . 1 189 189 SER CB C 13 63.319 0.029 . 1 . . . . . 189 Ser CB . 26857 1 819 . 1 . 1 189 189 SER N N 15 115.211 0.053 . 1 . . . . . 189 Ser N . 26857 1 820 . 1 . 1 190 190 ARG H H 1 8.478 0.011 . 1 . . . . . 190 Arg H . 26857 1 821 . 1 . 1 190 190 ARG C C 13 175.932 0.000 . 1 . . . . . 190 Arg C . 26857 1 822 . 1 . 1 190 190 ARG CA C 13 55.539 0.019 . 1 . . . . . 190 Arg CA . 26857 1 823 . 1 . 1 190 190 ARG CB C 13 29.928 0.005 . 1 . . . . . 190 Arg CB . 26857 1 824 . 1 . 1 190 190 ARG N N 15 122.882 0.119 . 1 . . . . . 190 Arg N . 26857 1 825 . 1 . 1 191 191 ALA H H 1 8.196 0.006 . 1 . . . . . 191 Ala H . 26857 1 826 . 1 . 1 191 191 ALA C C 13 175.640 0.000 . 1 . . . . . 191 Ala C . 26857 1 827 . 1 . 1 191 191 ALA CA C 13 52.008 0.001 . 1 . . . . . 191 Ala CA . 26857 1 828 . 1 . 1 191 191 ALA CB C 13 18.625 0.001 . 1 . . . . . 191 Ala CB . 26857 1 829 . 1 . 1 191 191 ALA N N 15 124.611 0.063 . 1 . . . . . 191 Ala N . 26857 1 830 . 1 . 1 192 192 LYS H H 1 8.169 0.005 . 1 . . . . . 192 Lys H . 26857 1 831 . 1 . 1 192 192 LYS C C 13 176.300 0.000 . 1 . . . . . 192 Lys C . 26857 1 832 . 1 . 1 192 192 LYS CA C 13 55.803 0.000 . 1 . . . . . 192 Lys CA . 26857 1 833 . 1 . 1 192 192 LYS CB C 13 32.368 0.000 . 1 . . . . . 192 Lys CB . 26857 1 834 . 1 . 1 192 192 LYS N N 15 120.637 0.046 . 1 . . . . . 192 Lys N . 26857 1 835 . 1 . 1 193 193 LYS H H 1 8.229 0.006 . 1 . . . . . 193 Lys H . 26857 1 836 . 1 . 1 193 193 LYS C C 13 175.555 0.000 . 1 . . . . . 193 Lys C . 26857 1 837 . 1 . 1 193 193 LYS CA C 13 56.086 0.017 . 1 . . . . . 193 Lys CA . 26857 1 838 . 1 . 1 193 193 LYS N N 15 123.228 0.016 . 1 . . . . . 193 Lys N . 26857 1 839 . 1 . 1 194 194 GLN H H 1 7.913 0.006 . 1 . . . . . 194 Gln H . 26857 1 840 . 1 . 1 194 194 GLN CA C 13 57.038 0.036 . 1 . . . . . 194 Gln CA . 26857 1 841 . 1 . 1 194 194 GLN N N 15 126.612 0.091 . 1 . . . . . 194 Gln N . 26857 1 stop_ save_