data_50743 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50743 _Entry.Title ; dmEB1N+linker ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-01 _Entry.Accession_date 2021-02-01 _Entry.Last_release_date 2021-02-01 _Entry.Original_release_date 2021-02-01 _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 1 _Entry.Generated_software_label $software_1 _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 Lyudmila Dimitrova-Paternoga . . . . 50743 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50743 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 581 50743 '15N chemical shifts' 191 50743 '1H chemical shifts' 191 50743 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 . . 2021-11-09 2021-02-01 update BMRB 'update entry citation' 50743 1 . . 2021-03-01 2021-02-01 original author 'original release' 50743 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50743 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34215685 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Validation and classification of RNA binding proteins identified by mRNA interactome capture ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 27 _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 1173 _Citation.Page_last 1185 _Citation.Year 2021 _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 Vaishali Vaishali . . . . 50743 1 2 Lyudmila Dimitrova-Paternoga . . . . 50743 1 3 Kevin Haubrich . . . . 50743 1 4 Mai Sun . . . . 50743 1 5 Anne Ephrussi . . . . 50743 1 6 Janosch Hennig . . . . 50743 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50743 _Assembly.ID 1 _Assembly.Name EB1-N+linker _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 EB1-N+Linker 1 $entity_1 . . yes native no no . . . 50743 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50743 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MAVNVYSTNVTSENLSRHDM LAWVNDCLQSQFSKIEELCT GAAYCQFMDMLFPNSVPVKR VKFRTNLEHEYIQNFKILQA GFKKMSVDKIIPIDKLVKGR FQDNFEFLQWFKKFFDANYD GRDYDASAVREGAPMGFGSG AVKSLPGTAASGVSSSYRRG PSATTRPAMTSAVKPTVSKV LPRTNNAAPASRINACANST GTVKKNDVS ; _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 209 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . MET . 50743 1 2 . ALA . 50743 1 3 . VAL . 50743 1 4 . ASN . 50743 1 5 . VAL . 50743 1 6 . TYR . 50743 1 7 . SER . 50743 1 8 . THR . 50743 1 9 . ASN . 50743 1 10 . VAL . 50743 1 11 . THR . 50743 1 12 . SER . 50743 1 13 . GLU . 50743 1 14 . ASN . 50743 1 15 . LEU . 50743 1 16 . SER . 50743 1 17 . ARG . 50743 1 18 . HIS . 50743 1 19 . ASP . 50743 1 20 . MET . 50743 1 21 . LEU . 50743 1 22 . ALA . 50743 1 23 . TRP . 50743 1 24 . VAL . 50743 1 25 . ASN . 50743 1 26 . ASP . 50743 1 27 . CYS . 50743 1 28 . LEU . 50743 1 29 . GLN . 50743 1 30 . SER . 50743 1 31 . GLN . 50743 1 32 . PHE . 50743 1 33 . SER . 50743 1 34 . LYS . 50743 1 35 . ILE . 50743 1 36 . GLU . 50743 1 37 . GLU . 50743 1 38 . LEU . 50743 1 39 . CYS . 50743 1 40 . THR . 50743 1 41 . GLY . 50743 1 42 . ALA . 50743 1 43 . ALA . 50743 1 44 . TYR . 50743 1 45 . CYS . 50743 1 46 . GLN . 50743 1 47 . PHE . 50743 1 48 . MET . 50743 1 49 . ASP . 50743 1 50 . MET . 50743 1 51 . LEU . 50743 1 52 . PHE . 50743 1 53 . PRO . 50743 1 54 . ASN . 50743 1 55 . SER . 50743 1 56 . VAL . 50743 1 57 . PRO . 50743 1 58 . VAL . 50743 1 59 . LYS . 50743 1 60 . ARG . 50743 1 61 . VAL . 50743 1 62 . LYS . 50743 1 63 . PHE . 50743 1 64 . ARG . 50743 1 65 . THR . 50743 1 66 . ASN . 50743 1 67 . LEU . 50743 1 68 . GLU . 50743 1 69 . HIS . 50743 1 70 . GLU . 50743 1 71 . TYR . 50743 1 72 . ILE . 50743 1 73 . GLN . 50743 1 74 . ASN . 50743 1 75 . PHE . 50743 1 76 . LYS . 50743 1 77 . ILE . 50743 1 78 . LEU . 50743 1 79 . GLN . 50743 1 80 . ALA . 50743 1 81 . GLY . 50743 1 82 . PHE . 50743 1 83 . LYS . 50743 1 84 . LYS . 50743 1 85 . MET . 50743 1 86 . SER . 50743 1 87 . VAL . 50743 1 88 . ASP . 50743 1 89 . LYS . 50743 1 90 . ILE . 50743 1 91 . ILE . 50743 1 92 . PRO . 50743 1 93 . ILE . 50743 1 94 . ASP . 50743 1 95 . LYS . 50743 1 96 . LEU . 50743 1 97 . VAL . 50743 1 98 . LYS . 50743 1 99 . GLY . 50743 1 100 . ARG . 50743 1 101 . PHE . 50743 1 102 . GLN . 50743 1 103 . ASP . 50743 1 104 . ASN . 50743 1 105 . PHE . 50743 1 106 . GLU . 50743 1 107 . PHE . 50743 1 108 . LEU . 50743 1 109 . GLN . 50743 1 110 . TRP . 50743 1 111 . PHE . 50743 1 112 . LYS . 50743 1 113 . LYS . 50743 1 114 . PHE . 50743 1 115 . PHE . 50743 1 116 . ASP . 50743 1 117 . ALA . 50743 1 118 . ASN . 50743 1 119 . TYR . 50743 1 120 . ASP . 50743 1 121 . GLY . 50743 1 122 . ARG . 50743 1 123 . ASP . 50743 1 124 . TYR . 50743 1 125 . ASP . 50743 1 126 . ALA . 50743 1 127 . SER . 50743 1 128 . ALA . 50743 1 129 . VAL . 50743 1 130 . ARG . 50743 1 131 . GLU . 50743 1 132 . GLY . 50743 1 133 . ALA . 50743 1 134 . PRO . 50743 1 135 . MET . 50743 1 136 . GLY . 50743 1 137 . PHE . 50743 1 138 . GLY . 50743 1 139 . SER . 50743 1 140 . GLY . 50743 1 141 . ALA . 50743 1 142 . VAL . 50743 1 143 . LYS . 50743 1 144 . SER . 50743 1 145 . LEU . 50743 1 146 . PRO . 50743 1 147 . GLY . 50743 1 148 . THR . 50743 1 149 . ALA . 50743 1 150 . ALA . 50743 1 151 . SER . 50743 1 152 . GLY . 50743 1 153 . VAL . 50743 1 154 . SER . 50743 1 155 . SER . 50743 1 156 . SER . 50743 1 157 . TYR . 50743 1 158 . ARG . 50743 1 159 . ARG . 50743 1 160 . GLY . 50743 1 161 . PRO . 50743 1 162 . SER . 50743 1 163 . ALA . 50743 1 164 . THR . 50743 1 165 . THR . 50743 1 166 . ARG . 50743 1 167 . PRO . 50743 1 168 . ALA . 50743 1 169 . MET . 50743 1 170 . THR . 50743 1 171 . SER . 50743 1 172 . ALA . 50743 1 173 . VAL . 50743 1 174 . LYS . 50743 1 175 . PRO . 50743 1 176 . THR . 50743 1 177 . VAL . 50743 1 178 . SER . 50743 1 179 . LYS . 50743 1 180 . VAL . 50743 1 181 . LEU . 50743 1 182 . PRO . 50743 1 183 . ARG . 50743 1 184 . THR . 50743 1 185 . ASN . 50743 1 186 . ASN . 50743 1 187 . ALA . 50743 1 188 . ALA . 50743 1 189 . PRO . 50743 1 190 . ALA . 50743 1 191 . SER . 50743 1 192 . ARG . 50743 1 193 . ILE . 50743 1 194 . ASN . 50743 1 195 . ALA . 50743 1 196 . CYS . 50743 1 197 . ALA . 50743 1 198 . ASN . 50743 1 199 . SER . 50743 1 200 . THR . 50743 1 201 . GLY . 50743 1 202 . THR . 50743 1 203 . VAL . 50743 1 204 . LYS . 50743 1 205 . LYS . 50743 1 206 . ASN . 50743 1 207 . ASP . 50743 1 208 . VAL . 50743 1 209 . SER . 50743 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 50743 1 . ALA 2 2 50743 1 . VAL 3 3 50743 1 . ASN 4 4 50743 1 . VAL 5 5 50743 1 . TYR 6 6 50743 1 . SER 7 7 50743 1 . THR 8 8 50743 1 . ASN 9 9 50743 1 . VAL 10 10 50743 1 . THR 11 11 50743 1 . SER 12 12 50743 1 . GLU 13 13 50743 1 . ASN 14 14 50743 1 . LEU 15 15 50743 1 . SER 16 16 50743 1 . ARG 17 17 50743 1 . HIS 18 18 50743 1 . ASP 19 19 50743 1 . MET 20 20 50743 1 . LEU 21 21 50743 1 . ALA 22 22 50743 1 . TRP 23 23 50743 1 . VAL 24 24 50743 1 . ASN 25 25 50743 1 . ASP 26 26 50743 1 . CYS 27 27 50743 1 . LEU 28 28 50743 1 . GLN 29 29 50743 1 . SER 30 30 50743 1 . GLN 31 31 50743 1 . PHE 32 32 50743 1 . SER 33 33 50743 1 . LYS 34 34 50743 1 . ILE 35 35 50743 1 . GLU 36 36 50743 1 . GLU 37 37 50743 1 . LEU 38 38 50743 1 . CYS 39 39 50743 1 . THR 40 40 50743 1 . GLY 41 41 50743 1 . ALA 42 42 50743 1 . ALA 43 43 50743 1 . TYR 44 44 50743 1 . CYS 45 45 50743 1 . GLN 46 46 50743 1 . PHE 47 47 50743 1 . MET 48 48 50743 1 . ASP 49 49 50743 1 . MET 50 50 50743 1 . LEU 51 51 50743 1 . PHE 52 52 50743 1 . PRO 53 53 50743 1 . ASN 54 54 50743 1 . SER 55 55 50743 1 . VAL 56 56 50743 1 . PRO 57 57 50743 1 . VAL 58 58 50743 1 . LYS 59 59 50743 1 . ARG 60 60 50743 1 . VAL 61 61 50743 1 . LYS 62 62 50743 1 . PHE 63 63 50743 1 . ARG 64 64 50743 1 . THR 65 65 50743 1 . ASN 66 66 50743 1 . LEU 67 67 50743 1 . GLU 68 68 50743 1 . HIS 69 69 50743 1 . GLU 70 70 50743 1 . TYR 71 71 50743 1 . ILE 72 72 50743 1 . GLN 73 73 50743 1 . ASN 74 74 50743 1 . PHE 75 75 50743 1 . LYS 76 76 50743 1 . ILE 77 77 50743 1 . LEU 78 78 50743 1 . GLN 79 79 50743 1 . ALA 80 80 50743 1 . GLY 81 81 50743 1 . PHE 82 82 50743 1 . LYS 83 83 50743 1 . LYS 84 84 50743 1 . MET 85 85 50743 1 . SER 86 86 50743 1 . VAL 87 87 50743 1 . ASP 88 88 50743 1 . LYS 89 89 50743 1 . ILE 90 90 50743 1 . ILE 91 91 50743 1 . PRO 92 92 50743 1 . ILE 93 93 50743 1 . ASP 94 94 50743 1 . LYS 95 95 50743 1 . LEU 96 96 50743 1 . VAL 97 97 50743 1 . LYS 98 98 50743 1 . GLY 99 99 50743 1 . ARG 100 100 50743 1 . PHE 101 101 50743 1 . GLN 102 102 50743 1 . ASP 103 103 50743 1 . ASN 104 104 50743 1 . PHE 105 105 50743 1 . GLU 106 106 50743 1 . PHE 107 107 50743 1 . LEU 108 108 50743 1 . GLN 109 109 50743 1 . TRP 110 110 50743 1 . PHE 111 111 50743 1 . LYS 112 112 50743 1 . LYS 113 113 50743 1 . PHE 114 114 50743 1 . PHE 115 115 50743 1 . ASP 116 116 50743 1 . ALA 117 117 50743 1 . ASN 118 118 50743 1 . TYR 119 119 50743 1 . ASP 120 120 50743 1 . GLY 121 121 50743 1 . ARG 122 122 50743 1 . ASP 123 123 50743 1 . TYR 124 124 50743 1 . ASP 125 125 50743 1 . ALA 126 126 50743 1 . SER 127 127 50743 1 . ALA 128 128 50743 1 . VAL 129 129 50743 1 . ARG 130 130 50743 1 . GLU 131 131 50743 1 . GLY 132 132 50743 1 . ALA 133 133 50743 1 . PRO 134 134 50743 1 . MET 135 135 50743 1 . GLY 136 136 50743 1 . PHE 137 137 50743 1 . GLY 138 138 50743 1 . SER 139 139 50743 1 . GLY 140 140 50743 1 . ALA 141 141 50743 1 . VAL 142 142 50743 1 . LYS 143 143 50743 1 . SER 144 144 50743 1 . LEU 145 145 50743 1 . PRO 146 146 50743 1 . GLY 147 147 50743 1 . THR 148 148 50743 1 . ALA 149 149 50743 1 . ALA 150 150 50743 1 . SER 151 151 50743 1 . GLY 152 152 50743 1 . VAL 153 153 50743 1 . SER 154 154 50743 1 . SER 155 155 50743 1 . SER 156 156 50743 1 . TYR 157 157 50743 1 . ARG 158 158 50743 1 . ARG 159 159 50743 1 . GLY 160 160 50743 1 . PRO 161 161 50743 1 . SER 162 162 50743 1 . ALA 163 163 50743 1 . THR 164 164 50743 1 . THR 165 165 50743 1 . ARG 166 166 50743 1 . PRO 167 167 50743 1 . ALA 168 168 50743 1 . MET 169 169 50743 1 . THR 170 170 50743 1 . SER 171 171 50743 1 . ALA 172 172 50743 1 . VAL 173 173 50743 1 . LYS 174 174 50743 1 . PRO 175 175 50743 1 . THR 176 176 50743 1 . VAL 177 177 50743 1 . SER 178 178 50743 1 . LYS 179 179 50743 1 . VAL 180 180 50743 1 . LEU 181 181 50743 1 . PRO 182 182 50743 1 . ARG 183 183 50743 1 . THR 184 184 50743 1 . ASN 185 185 50743 1 . ASN 186 186 50743 1 . ALA 187 187 50743 1 . ALA 188 188 50743 1 . PRO 189 189 50743 1 . ALA 190 190 50743 1 . SER 191 191 50743 1 . ARG 192 192 50743 1 . ILE 193 193 50743 1 . ASN 194 194 50743 1 . ALA 195 195 50743 1 . CYS 196 196 50743 1 . ALA 197 197 50743 1 . ASN 198 198 50743 1 . SER 199 199 50743 1 . THR 200 200 50743 1 . GLY 201 201 50743 1 . THR 202 202 50743 1 . VAL 203 203 50743 1 . LYS 204 204 50743 1 . LYS 205 205 50743 1 . ASN 206 206 50743 1 . ASP 207 207 50743 1 . VAL 208 208 50743 1 . SER 209 209 50743 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50743 _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 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 50743 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50743 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET24d . . . 50743 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50743 _Sample.ID 1 _Sample.Name EB1-N+linker _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 EB1-N+Linker '[U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50743 1 2 PO4 'natural abundance' . . . . . . 20 . . mM . . . . 50743 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50743 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50743 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 50743 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 mM PO4, 6.5; 150 mM NaCl; 0.5mM TCEP' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50743 1 pH 6.5 . pH 50743 1 pressure 1 . atm 50743 1 temperature 298 . K 50743 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50743 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50743 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50743 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50743 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50743 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50743 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50743 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50743 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50743 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50743 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name EB1 _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 water protons . . . . ppm 38 internal indirect . . . . . . 50743 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50743 1 N 15 water protons . . . . ppm 118 internal indirect . . . . . . 50743 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50743 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'shift list' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 50743 1 3 '3D HNCA' . . . 50743 1 4 '3D HNCO' . . . 50743 1 5 '3D HNCACB' . . . 50743 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50743 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 8.116 0.006 . 1 . . . . . 1 Met H . 50743 1 2 . 1 . 1 1 1 MET C C 13 172.362 0.000 . 1 . . . . . 1 Met C . 50743 1 3 . 1 . 1 1 1 MET CA C 13 54.372 0.007 . 1 . . . . . 1 Met CA . 50743 1 4 . 1 . 1 1 1 MET CB C 13 34.231 0.028 . 1 . . . . . 1 Met CB . 50743 1 5 . 1 . 1 1 1 MET N N 15 120.560 0.017 . 1 . . . . . 1 Met N . 50743 1 6 . 1 . 1 2 2 ALA H H 1 8.205 0.004 . 1 . . . . . 2 Ala H . 50743 1 7 . 1 . 1 2 2 ALA C C 13 174.166 0.000 . 1 . . . . . 2 Ala C . 50743 1 8 . 1 . 1 2 2 ALA CA C 13 51.969 0.021 . 1 . . . . . 2 Ala CA . 50743 1 9 . 1 . 1 2 2 ALA CB C 13 20.646 0.000 . 1 . . . . . 2 Ala CB . 50743 1 10 . 1 . 1 2 2 ALA N N 15 123.300 0.030 . 1 . . . . . 2 Ala N . 50743 1 11 . 1 . 1 3 3 VAL H H 1 9.426 0.002 . 1 . . . . . 3 Val H . 50743 1 12 . 1 . 1 3 3 VAL C C 13 177.806 0.000 . 1 . . . . . 3 Val C . 50743 1 13 . 1 . 1 3 3 VAL CA C 13 62.792 0.039 . 1 . . . . . 3 Val CA . 50743 1 14 . 1 . 1 3 3 VAL CB C 13 31.856 0.020 . 1 . . . . . 3 Val CB . 50743 1 15 . 1 . 1 3 3 VAL N N 15 122.902 0.052 . 1 . . . . . 3 Val N . 50743 1 16 . 1 . 1 4 4 ASN H H 1 8.431 0.002 . 1 . . . . . 4 Asn H . 50743 1 17 . 1 . 1 4 4 ASN C C 13 172.158 0.000 . 1 . . . . . 4 Asn C . 50743 1 18 . 1 . 1 4 4 ASN CA C 13 53.791 0.007 . 1 . . . . . 4 Asn CA . 50743 1 19 . 1 . 1 4 4 ASN CB C 13 40.919 0.111 . 1 . . . . . 4 Asn CB . 50743 1 20 . 1 . 1 4 4 ASN N N 15 123.537 0.041 . 1 . . . . . 4 Asn N . 50743 1 21 . 1 . 1 5 5 VAL H H 1 8.601 0.006 . 1 . . . . . 5 Val H . 50743 1 22 . 1 . 1 5 5 VAL C C 13 172.335 0.000 . 1 . . . . . 5 Val C . 50743 1 23 . 1 . 1 5 5 VAL CA C 13 60.940 0.028 . 1 . . . . . 5 Val CA . 50743 1 24 . 1 . 1 5 5 VAL CB C 13 34.540 0.047 . 1 . . . . . 5 Val CB . 50743 1 25 . 1 . 1 5 5 VAL N N 15 116.873 0.029 . 1 . . . . . 5 Val N . 50743 1 26 . 1 . 1 6 6 TYR H H 1 8.620 0.004 . 1 . . . . . 6 Tyr H . 50743 1 27 . 1 . 1 6 6 TYR C C 13 173.150 0.000 . 1 . . . . . 6 Tyr C . 50743 1 28 . 1 . 1 6 6 TYR CA C 13 57.397 0.018 . 1 . . . . . 6 Tyr CA . 50743 1 29 . 1 . 1 6 6 TYR CB C 13 39.881 0.162 . 1 . . . . . 6 Tyr CB . 50743 1 30 . 1 . 1 6 6 TYR N N 15 123.879 0.019 . 1 . . . . . 6 Tyr N . 50743 1 31 . 1 . 1 7 7 SER H H 1 8.458 0.002 . 1 . . . . . 7 Ser H . 50743 1 32 . 1 . 1 7 7 SER C C 13 173.806 0.000 . 1 . . . . . 7 Ser C . 50743 1 33 . 1 . 1 7 7 SER CA C 13 58.768 0.032 . 1 . . . . . 7 Ser CA . 50743 1 34 . 1 . 1 7 7 SER CB C 13 63.777 0.075 . 1 . . . . . 7 Ser CB . 50743 1 35 . 1 . 1 7 7 SER N N 15 117.178 0.039 . 1 . . . . . 7 Ser N . 50743 1 36 . 1 . 1 8 8 THR H H 1 8.257 0.006 . 1 . . . . . 8 Thr H . 50743 1 37 . 1 . 1 8 8 THR C C 13 173.233 0.000 . 1 . . . . . 8 Thr C . 50743 1 38 . 1 . 1 8 8 THR CA C 13 62.042 0.057 . 1 . . . . . 8 Thr CA . 50743 1 39 . 1 . 1 8 8 THR CB C 13 69.661 0.122 . 1 . . . . . 8 Thr CB . 50743 1 40 . 1 . 1 8 8 THR N N 15 115.390 0.083 . 1 . . . . . 8 Thr N . 50743 1 41 . 1 . 1 9 9 ASN H H 1 8.381 0.005 . 1 . . . . . 9 Asn H . 50743 1 42 . 1 . 1 9 9 ASN CB C 13 38.525 0.006 . 1 . . . . . 9 Asn CB . 50743 1 43 . 1 . 1 9 9 ASN N N 15 120.097 0.061 . 1 . . . . . 9 Asn N . 50743 1 44 . 1 . 1 10 10 VAL H H 1 8.055 0.002 . 1 . . . . . 10 Val H . 50743 1 45 . 1 . 1 10 10 VAL C C 13 174.289 0.000 . 1 . . . . . 10 Val C . 50743 1 46 . 1 . 1 10 10 VAL CA C 13 63.102 0.000 . 1 . . . . . 10 Val CA . 50743 1 47 . 1 . 1 10 10 VAL N N 15 119.898 0.071 . 1 . . . . . 10 Val N . 50743 1 48 . 1 . 1 11 11 THR H H 1 8.287 0.002 . 1 . . . . . 11 Thr H . 50743 1 49 . 1 . 1 11 11 THR C C 13 172.787 0.000 . 1 . . . . . 11 Thr C . 50743 1 50 . 1 . 1 11 11 THR CA C 13 62.151 0.082 . 1 . . . . . 11 Thr CA . 50743 1 51 . 1 . 1 11 11 THR CB C 13 69.803 0.011 . 1 . . . . . 11 Thr CB . 50743 1 52 . 1 . 1 11 11 THR N N 15 115.673 0.008 . 1 . . . . . 11 Thr N . 50743 1 53 . 1 . 1 12 12 SER H H 1 8.239 0.003 . 1 . . . . . 12 Ser H . 50743 1 54 . 1 . 1 12 12 SER C C 13 171.781 0.000 . 1 . . . . . 12 Ser C . 50743 1 55 . 1 . 1 12 12 SER CA C 13 58.769 0.079 . 1 . . . . . 12 Ser CA . 50743 1 56 . 1 . 1 12 12 SER CB C 13 63.745 0.073 . 1 . . . . . 12 Ser CB . 50743 1 57 . 1 . 1 12 12 SER N N 15 117.446 0.038 . 1 . . . . . 12 Ser N . 50743 1 58 . 1 . 1 13 13 GLU H H 1 8.300 0.003 . 1 . . . . . 13 Glu H . 50743 1 59 . 1 . 1 13 13 GLU C C 13 171.565 0.000 . 1 . . . . . 13 Glu C . 50743 1 60 . 1 . 1 13 13 GLU CA C 13 56.600 0.033 . 1 . . . . . 13 Glu CA . 50743 1 61 . 1 . 1 13 13 GLU CB C 13 30.095 0.069 . 1 . . . . . 13 Glu CB . 50743 1 62 . 1 . 1 13 13 GLU N N 15 122.134 0.023 . 1 . . . . . 13 Glu N . 50743 1 63 . 1 . 1 14 14 ASN H H 1 8.374 0.007 . 1 . . . . . 14 Asn H . 50743 1 64 . 1 . 1 14 14 ASN C C 13 172.237 0.000 . 1 . . . . . 14 Asn C . 50743 1 65 . 1 . 1 14 14 ASN CA C 13 53.305 0.024 . 1 . . . . . 14 Asn CA . 50743 1 66 . 1 . 1 14 14 ASN CB C 13 38.846 0.090 . 1 . . . . . 14 Asn CB . 50743 1 67 . 1 . 1 14 14 ASN N N 15 120.059 0.101 . 1 . . . . . 14 Asn N . 50743 1 68 . 1 . 1 15 15 LEU H H 1 8.081 0.001 . 1 . . . . . 15 Leu H . 50743 1 69 . 1 . 1 15 15 LEU C C 13 174.547 0.000 . 1 . . . . . 15 Leu C . 50743 1 70 . 1 . 1 15 15 LEU CA C 13 54.863 0.059 . 1 . . . . . 15 Leu CA . 50743 1 71 . 1 . 1 15 15 LEU CB C 13 43.252 0.097 . 1 . . . . . 15 Leu CB . 50743 1 72 . 1 . 1 15 15 LEU N N 15 122.223 0.015 . 1 . . . . . 15 Leu N . 50743 1 73 . 1 . 1 16 16 SER H H 1 8.999 0.001 . 1 . . . . . 16 Ser H . 50743 1 74 . 1 . 1 16 16 SER C C 13 172.884 0.000 . 1 . . . . . 16 Ser C . 50743 1 75 . 1 . 1 16 16 SER CA C 13 57.387 0.023 . 1 . . . . . 16 Ser CA . 50743 1 76 . 1 . 1 16 16 SER CB C 13 65.082 0.104 . 1 . . . . . 16 Ser CB . 50743 1 77 . 1 . 1 16 16 SER N N 15 117.587 0.010 . 1 . . . . . 16 Ser N . 50743 1 78 . 1 . 1 17 17 ARG H H 1 9.087 0.005 . 1 . . . . . 17 Arg H . 50743 1 79 . 1 . 1 17 17 ARG C C 13 174.777 0.000 . 1 . . . . . 17 Arg C . 50743 1 80 . 1 . 1 17 17 ARG CA C 13 59.655 0.009 . 1 . . . . . 17 Arg CA . 50743 1 81 . 1 . 1 17 17 ARG CB C 13 29.546 0.038 . 1 . . . . . 17 Arg CB . 50743 1 82 . 1 . 1 17 17 ARG N N 15 121.896 0.031 . 1 . . . . . 17 Arg N . 50743 1 83 . 1 . 1 18 18 HIS H H 1 8.036 0.013 . 1 . . . . . 18 His H . 50743 1 84 . 1 . 1 18 18 HIS C C 13 175.243 0.000 . 1 . . . . . 18 His C . 50743 1 85 . 1 . 1 18 18 HIS CA C 13 59.200 0.051 . 1 . . . . . 18 His CA . 50743 1 86 . 1 . 1 18 18 HIS CB C 13 29.810 0.047 . 1 . . . . . 18 His CB . 50743 1 87 . 1 . 1 18 18 HIS N N 15 117.867 0.070 . 1 . . . . . 18 His N . 50743 1 88 . 1 . 1 19 19 ASP H H 1 8.058 0.004 . 1 . . . . . 19 Asp H . 50743 1 89 . 1 . 1 19 19 ASP C C 13 176.606 0.000 . 1 . . . . . 19 Asp C . 50743 1 90 . 1 . 1 19 19 ASP CA C 13 57.079 0.078 . 1 . . . . . 19 Asp CA . 50743 1 91 . 1 . 1 19 19 ASP CB C 13 40.537 0.076 . 1 . . . . . 19 Asp CB . 50743 1 92 . 1 . 1 19 19 ASP N N 15 121.193 0.025 . 1 . . . . . 19 Asp N . 50743 1 93 . 1 . 1 20 20 MET H H 1 8.578 0.003 . 1 . . . . . 20 Met H . 50743 1 94 . 1 . 1 20 20 MET C C 13 174.884 0.000 . 1 . . . . . 20 Met C . 50743 1 95 . 1 . 1 20 20 MET CA C 13 58.824 0.050 . 1 . . . . . 20 Met CA . 50743 1 96 . 1 . 1 20 20 MET CB C 13 32.998 0.186 . 1 . . . . . 20 Met CB . 50743 1 97 . 1 . 1 20 20 MET N N 15 120.596 0.019 . 1 . . . . . 20 Met N . 50743 1 98 . 1 . 1 21 21 LEU H H 1 7.841 0.003 . 1 . . . . . 21 Leu H . 50743 1 99 . 1 . 1 21 21 LEU C C 13 175.004 0.000 . 1 . . . . . 21 Leu C . 50743 1 100 . 1 . 1 21 21 LEU CA C 13 57.761 0.024 . 1 . . . . . 21 Leu CA . 50743 1 101 . 1 . 1 21 21 LEU CB C 13 41.801 0.088 . 1 . . . . . 21 Leu CB . 50743 1 102 . 1 . 1 21 21 LEU N N 15 119.356 0.040 . 1 . . . . . 21 Leu N . 50743 1 103 . 1 . 1 22 22 ALA H H 1 7.895 0.003 . 1 . . . . . 22 Ala H . 50743 1 104 . 1 . 1 22 22 ALA C C 13 176.625 0.000 . 1 . . . . . 22 Ala C . 50743 1 105 . 1 . 1 22 22 ALA CA C 13 55.024 0.036 . 1 . . . . . 22 Ala CA . 50743 1 106 . 1 . 1 22 22 ALA CB C 13 17.796 0.115 . 1 . . . . . 22 Ala CB . 50743 1 107 . 1 . 1 22 22 ALA N N 15 119.391 0.041 . 1 . . . . . 22 Ala N . 50743 1 108 . 1 . 1 23 23 TRP H H 1 7.770 0.004 . 1 . . . . . 23 Trp H . 50743 1 109 . 1 . 1 23 23 TRP HE1 H 1 9.523 0.000 . 1 . . . . . 23 Trp HE1 . 50743 1 110 . 1 . 1 23 23 TRP C C 13 174.655 0.000 . 1 . . . . . 23 Trp C . 50743 1 111 . 1 . 1 23 23 TRP CA C 13 61.592 0.047 . 1 . . . . . 23 Trp CA . 50743 1 112 . 1 . 1 23 23 TRP CB C 13 26.655 0.216 . 1 . . . . . 23 Trp CB . 50743 1 113 . 1 . 1 23 23 TRP N N 15 118.882 0.018 . 1 . . . . . 23 Trp N . 50743 1 114 . 1 . 1 23 23 TRP NE1 N 15 129.386 0.000 . 1 . . . . . 23 Trp NE1 . 50743 1 115 . 1 . 1 24 24 VAL H H 1 7.658 0.004 . 1 . . . . . 24 Val H . 50743 1 116 . 1 . 1 24 24 VAL C C 13 174.318 0.000 . 1 . . . . . 24 Val C . 50743 1 117 . 1 . 1 24 24 VAL CA C 13 67.055 0.009 . 1 . . . . . 24 Val CA . 50743 1 118 . 1 . 1 24 24 VAL CB C 13 31.847 0.081 . 1 . . . . . 24 Val CB . 50743 1 119 . 1 . 1 24 24 VAL N N 15 118.822 0.022 . 1 . . . . . 24 Val N . 50743 1 120 . 1 . 1 25 25 ASN H H 1 8.034 0.002 . 1 . . . . . 25 Asn H . 50743 1 121 . 1 . 1 25 25 ASN C C 13 176.394 0.000 . 1 . . . . . 25 Asn C . 50743 1 122 . 1 . 1 25 25 ASN CA C 13 54.726 0.056 . 1 . . . . . 25 Asn CA . 50743 1 123 . 1 . 1 25 25 ASN CB C 13 37.256 0.082 . 1 . . . . . 25 Asn CB . 50743 1 124 . 1 . 1 25 25 ASN N N 15 113.807 0.018 . 1 . . . . . 25 Asn N . 50743 1 125 . 1 . 1 26 26 ASP H H 1 8.776 0.003 . 1 . . . . . 26 Asp H . 50743 1 126 . 1 . 1 26 26 ASP C C 13 176.260 0.000 . 1 . . . . . 26 Asp C . 50743 1 127 . 1 . 1 26 26 ASP CA C 13 57.009 0.049 . 1 . . . . . 26 Asp CA . 50743 1 128 . 1 . 1 26 26 ASP CB C 13 40.850 0.053 . 1 . . . . . 26 Asp CB . 50743 1 129 . 1 . 1 26 26 ASP N N 15 120.653 0.008 . 1 . . . . . 26 Asp N . 50743 1 130 . 1 . 1 27 27 CYS H H 1 7.844 0.003 . 1 . . . . . 27 Cys H . 50743 1 131 . 1 . 1 27 27 CYS C C 13 174.010 0.000 . 1 . . . . . 27 Cys C . 50743 1 132 . 1 . 1 27 27 CYS CA C 13 63.505 0.016 . 1 . . . . . 27 Cys CA . 50743 1 133 . 1 . 1 27 27 CYS CB C 13 27.824 0.138 . 1 . . . . . 27 Cys CB . 50743 1 134 . 1 . 1 27 27 CYS N N 15 116.718 0.006 . 1 . . . . . 27 Cys N . 50743 1 135 . 1 . 1 28 28 LEU H H 1 7.808 0.003 . 1 . . . . . 28 Leu H . 50743 1 136 . 1 . 1 28 28 LEU C C 13 173.798 0.000 . 1 . . . . . 28 Leu C . 50743 1 137 . 1 . 1 28 28 LEU CA C 13 53.447 0.023 . 1 . . . . . 28 Leu CA . 50743 1 138 . 1 . 1 28 28 LEU CB C 13 40.295 0.173 . 1 . . . . . 28 Leu CB . 50743 1 139 . 1 . 1 28 28 LEU N N 15 111.835 0.012 . 1 . . . . . 28 Leu N . 50743 1 140 . 1 . 1 29 29 GLN H H 1 7.925 0.002 . 1 . . . . . 29 Gln H . 50743 1 141 . 1 . 1 29 29 GLN C C 13 172.371 0.000 . 1 . . . . . 29 Gln C . 50743 1 142 . 1 . 1 29 29 GLN CA C 13 56.792 0.020 . 1 . . . . . 29 Gln CA . 50743 1 143 . 1 . 1 29 29 GLN CB C 13 26.110 0.102 . 1 . . . . . 29 Gln CB . 50743 1 144 . 1 . 1 29 29 GLN N N 15 120.101 0.019 . 1 . . . . . 29 Gln N . 50743 1 145 . 1 . 1 30 30 SER H H 1 7.874 0.002 . 1 . . . . . 30 Ser H . 50743 1 146 . 1 . 1 30 30 SER C C 13 171.761 0.000 . 1 . . . . . 30 Ser C . 50743 1 147 . 1 . 1 30 30 SER CA C 13 56.854 0.000 . 1 . . . . . 30 Ser CA . 50743 1 148 . 1 . 1 30 30 SER CB C 13 66.683 0.067 . 1 . . . . . 30 Ser CB . 50743 1 149 . 1 . 1 30 30 SER N N 15 111.178 0.020 . 1 . . . . . 30 Ser N . 50743 1 150 . 1 . 1 31 31 GLN H H 1 7.696 0.003 . 1 . . . . . 31 Gln H . 50743 1 151 . 1 . 1 31 31 GLN CA C 13 54.300 0.000 . 1 . . . . . 31 Gln CA . 50743 1 152 . 1 . 1 31 31 GLN CB C 13 28.824 0.000 . 1 . . . . . 31 Gln CB . 50743 1 153 . 1 . 1 31 31 GLN N N 15 116.808 0.009 . 1 . . . . . 31 Gln N . 50743 1 154 . 1 . 1 32 32 PHE C C 13 174.569 0.000 . 1 . . . . . 32 Phe C . 50743 1 155 . 1 . 1 32 32 PHE CA C 13 59.984 0.025 . 1 . . . . . 32 Phe CA . 50743 1 156 . 1 . 1 32 32 PHE CB C 13 39.241 0.043 . 1 . . . . . 32 Phe CB . 50743 1 157 . 1 . 1 33 33 SER H H 1 10.349 0.004 . 1 . . . . . 33 Ser H . 50743 1 158 . 1 . 1 33 33 SER C C 13 171.082 0.000 . 1 . . . . . 33 Ser C . 50743 1 159 . 1 . 1 33 33 SER CA C 13 59.388 0.026 . 1 . . . . . 33 Ser CA . 50743 1 160 . 1 . 1 33 33 SER CB C 13 65.255 0.178 . 1 . . . . . 33 Ser CB . 50743 1 161 . 1 . 1 33 33 SER N N 15 120.683 0.021 . 1 . . . . . 33 Ser N . 50743 1 162 . 1 . 1 34 34 LYS H H 1 7.551 0.002 . 1 . . . . . 34 Lys H . 50743 1 163 . 1 . 1 34 34 LYS C C 13 173.554 0.000 . 1 . . . . . 34 Lys C . 50743 1 164 . 1 . 1 34 34 LYS CA C 13 55.052 0.043 . 1 . . . . . 34 Lys CA . 50743 1 165 . 1 . 1 34 34 LYS CB C 13 35.308 0.001 . 1 . . . . . 34 Lys CB . 50743 1 166 . 1 . 1 34 34 LYS N N 15 118.524 0.023 . 1 . . . . . 34 Lys N . 50743 1 167 . 1 . 1 35 35 ILE H H 1 9.401 0.004 . 1 . . . . . 35 Ile H . 50743 1 168 . 1 . 1 35 35 ILE C C 13 174.405 0.000 . 1 . . . . . 35 Ile C . 50743 1 169 . 1 . 1 35 35 ILE CA C 13 63.388 0.101 . 1 . . . . . 35 Ile CA . 50743 1 170 . 1 . 1 35 35 ILE CB C 13 36.840 0.006 . 1 . . . . . 35 Ile CB . 50743 1 171 . 1 . 1 35 35 ILE N N 15 124.637 0.064 . 1 . . . . . 35 Ile N . 50743 1 172 . 1 . 1 36 36 GLU H H 1 11.154 0.002 . 1 . . . . . 36 Glu H . 50743 1 173 . 1 . 1 36 36 GLU C C 13 175.294 0.000 . 1 . . . . . 36 Glu C . 50743 1 174 . 1 . 1 36 36 GLU CA C 13 61.851 0.007 . 1 . . . . . 36 Glu CA . 50743 1 175 . 1 . 1 36 36 GLU CB C 13 29.408 0.114 . 1 . . . . . 36 Glu CB . 50743 1 176 . 1 . 1 36 36 GLU N N 15 119.448 0.008 . 1 . . . . . 36 Glu N . 50743 1 177 . 1 . 1 37 37 GLU H H 1 7.236 0.002 . 1 . . . . . 37 Glu H . 50743 1 178 . 1 . 1 37 37 GLU C C 13 173.586 0.000 . 1 . . . . . 37 Glu C . 50743 1 179 . 1 . 1 37 37 GLU CA C 13 57.788 0.015 . 1 . . . . . 37 Glu CA . 50743 1 180 . 1 . 1 37 37 GLU CB C 13 30.937 0.013 . 1 . . . . . 37 Glu CB . 50743 1 181 . 1 . 1 37 37 GLU N N 15 114.575 0.019 . 1 . . . . . 37 Glu N . 50743 1 182 . 1 . 1 38 38 LEU H H 1 7.824 0.003 . 1 . . . . . 38 Leu H . 50743 1 183 . 1 . 1 38 38 LEU C C 13 175.145 0.000 . 1 . . . . . 38 Leu C . 50743 1 184 . 1 . 1 38 38 LEU CA C 13 55.582 0.011 . 1 . . . . . 38 Leu CA . 50743 1 185 . 1 . 1 38 38 LEU CB C 13 39.183 0.011 . 1 . . . . . 38 Leu CB . 50743 1 186 . 1 . 1 38 38 LEU N N 15 117.815 0.021 . 1 . . . . . 38 Leu N . 50743 1 187 . 1 . 1 39 39 CYS H H 1 7.455 0.003 . 1 . . . . . 39 Cys H . 50743 1 188 . 1 . 1 39 39 CYS C C 13 169.789 0.000 . 1 . . . . . 39 Cys C . 50743 1 189 . 1 . 1 39 39 CYS CA C 13 59.512 0.041 . 1 . . . . . 39 Cys CA . 50743 1 190 . 1 . 1 39 39 CYS CB C 13 28.936 0.107 . 1 . . . . . 39 Cys CB . 50743 1 191 . 1 . 1 39 39 CYS N N 15 117.389 0.010 . 1 . . . . . 39 Cys N . 50743 1 192 . 1 . 1 40 40 THR H H 1 6.658 0.004 . 1 . . . . . 40 Thr H . 50743 1 193 . 1 . 1 40 40 THR C C 13 173.758 0.000 . 1 . . . . . 40 Thr C . 50743 1 194 . 1 . 1 40 40 THR CA C 13 61.018 0.019 . 1 . . . . . 40 Thr CA . 50743 1 195 . 1 . 1 40 40 THR CB C 13 70.375 0.072 . 1 . . . . . 40 Thr CB . 50743 1 196 . 1 . 1 40 40 THR N N 15 107.125 0.018 . 1 . . . . . 40 Thr N . 50743 1 197 . 1 . 1 41 41 GLY H H 1 7.535 0.004 . 1 . . . . . 41 Gly H . 50743 1 198 . 1 . 1 41 41 GLY C C 13 171.179 0.000 . 1 . . . . . 41 Gly C . 50743 1 199 . 1 . 1 41 41 GLY CA C 13 45.979 0.076 . 1 . . . . . 41 Gly CA . 50743 1 200 . 1 . 1 41 41 GLY N N 15 106.659 0.029 . 1 . . . . . 41 Gly N . 50743 1 201 . 1 . 1 42 42 ALA H H 1 7.257 0.002 . 1 . . . . . 42 Ala H . 50743 1 202 . 1 . 1 42 42 ALA C C 13 176.033 0.000 . 1 . . . . . 42 Ala C . 50743 1 203 . 1 . 1 42 42 ALA CA C 13 55.612 0.026 . 1 . . . . . 42 Ala CA . 50743 1 204 . 1 . 1 42 42 ALA CB C 13 20.193 0.114 . 1 . . . . . 42 Ala CB . 50743 1 205 . 1 . 1 42 42 ALA N N 15 122.738 0.004 . 1 . . . . . 42 Ala N . 50743 1 206 . 1 . 1 43 43 ALA H H 1 7.928 0.005 . 1 . . . . . 43 Ala H . 50743 1 207 . 1 . 1 43 43 ALA C C 13 175.679 0.000 . 1 . . . . . 43 Ala C . 50743 1 208 . 1 . 1 43 43 ALA CA C 13 54.909 0.082 . 1 . . . . . 43 Ala CA . 50743 1 209 . 1 . 1 43 43 ALA CB C 13 17.262 0.008 . 1 . . . . . 43 Ala CB . 50743 1 210 . 1 . 1 43 43 ALA N N 15 117.249 0.045 . 1 . . . . . 43 Ala N . 50743 1 211 . 1 . 1 44 44 TYR H H 1 6.297 0.002 . 1 . . . . . 44 Tyr H . 50743 1 212 . 1 . 1 44 44 TYR C C 13 175.139 0.000 . 1 . . . . . 44 Tyr C . 50743 1 213 . 1 . 1 44 44 TYR CA C 13 60.269 0.070 . 1 . . . . . 44 Tyr CA . 50743 1 214 . 1 . 1 44 44 TYR CB C 13 39.156 0.013 . 1 . . . . . 44 Tyr CB . 50743 1 215 . 1 . 1 44 44 TYR N N 15 113.063 0.036 . 1 . . . . . 44 Tyr N . 50743 1 216 . 1 . 1 45 45 CYS H H 1 7.329 0.001 . 1 . . . . . 45 Cys H . 50743 1 217 . 1 . 1 45 45 CYS C C 13 173.757 0.000 . 1 . . . . . 45 Cys C . 50743 1 218 . 1 . 1 45 45 CYS CA C 13 65.051 0.046 . 1 . . . . . 45 Cys CA . 50743 1 219 . 1 . 1 45 45 CYS CB C 13 28.689 0.048 . 1 . . . . . 45 Cys CB . 50743 1 220 . 1 . 1 45 45 CYS N N 15 114.115 0.013 . 1 . . . . . 45 Cys N . 50743 1 221 . 1 . 1 46 46 GLN H H 1 7.906 0.002 . 1 . . . . . 46 Gln H . 50743 1 222 . 1 . 1 46 46 GLN C C 13 175.562 0.000 . 1 . . . . . 46 Gln C . 50743 1 223 . 1 . 1 46 46 GLN CA C 13 60.563 0.009 . 1 . . . . . 46 Gln CA . 50743 1 224 . 1 . 1 46 46 GLN CB C 13 27.002 0.033 . 1 . . . . . 46 Gln CB . 50743 1 225 . 1 . 1 46 46 GLN N N 15 117.424 0.025 . 1 . . . . . 46 Gln N . 50743 1 226 . 1 . 1 47 47 PHE H H 1 8.985 0.003 . 1 . . . . . 47 Phe H . 50743 1 227 . 1 . 1 47 47 PHE C C 13 176.276 0.000 . 1 . . . . . 47 Phe C . 50743 1 228 . 1 . 1 47 47 PHE CA C 13 61.942 0.004 . 1 . . . . . 47 Phe CA . 50743 1 229 . 1 . 1 47 47 PHE CB C 13 40.538 0.004 . 1 . . . . . 47 Phe CB . 50743 1 230 . 1 . 1 47 47 PHE N N 15 118.829 0.014 . 1 . . . . . 47 Phe N . 50743 1 231 . 1 . 1 48 48 MET H H 1 7.988 0.003 . 1 . . . . . 48 Met H . 50743 1 232 . 1 . 1 48 48 MET C C 13 174.836 0.000 . 1 . . . . . 48 Met C . 50743 1 233 . 1 . 1 48 48 MET CA C 13 57.634 0.039 . 1 . . . . . 48 Met CA . 50743 1 234 . 1 . 1 48 48 MET CB C 13 29.999 0.065 . 1 . . . . . 48 Met CB . 50743 1 235 . 1 . 1 48 48 MET N N 15 116.711 0.029 . 1 . . . . . 48 Met N . 50743 1 236 . 1 . 1 49 49 ASP H H 1 7.210 0.003 . 1 . . . . . 49 Asp H . 50743 1 237 . 1 . 1 49 49 ASP C C 13 173.226 0.000 . 1 . . . . . 49 Asp C . 50743 1 238 . 1 . 1 49 49 ASP CA C 13 57.300 0.081 . 1 . . . . . 49 Asp CA . 50743 1 239 . 1 . 1 49 49 ASP CB C 13 42.837 0.035 . 1 . . . . . 49 Asp CB . 50743 1 240 . 1 . 1 49 49 ASP N N 15 119.884 0.008 . 1 . . . . . 49 Asp N . 50743 1 241 . 1 . 1 50 50 MET H H 1 7.695 0.003 . 1 . . . . . 50 Met H . 50743 1 242 . 1 . 1 50 50 MET CA C 13 59.041 0.000 . 1 . . . . . 50 Met CA . 50743 1 243 . 1 . 1 50 50 MET CB C 13 32.574 0.000 . 1 . . . . . 50 Met CB . 50743 1 244 . 1 . 1 50 50 MET N N 15 116.567 0.059 . 1 . . . . . 50 Met N . 50743 1 245 . 1 . 1 51 51 LEU C C 13 174.603 0.000 . 1 . . . . . 51 Leu C . 50743 1 246 . 1 . 1 51 51 LEU CA C 13 56.803 0.033 . 1 . . . . . 51 Leu CA . 50743 1 247 . 1 . 1 51 51 LEU CB C 13 44.928 0.111 . 1 . . . . . 51 Leu CB . 50743 1 248 . 1 . 1 52 52 PHE H H 1 8.516 0.003 . 1 . . . . . 52 Phe H . 50743 1 249 . 1 . 1 52 52 PHE CA C 13 53.086 0.000 . 1 . . . . . 52 Phe CA . 50743 1 250 . 1 . 1 52 52 PHE CB C 13 39.470 0.000 . 1 . . . . . 52 Phe CB . 50743 1 251 . 1 . 1 52 52 PHE N N 15 115.935 0.012 . 1 . . . . . 52 Phe N . 50743 1 252 . 1 . 1 53 53 PRO C C 13 175.751 0.000 . 1 . . . . . 53 Pro C . 50743 1 253 . 1 . 1 53 53 PRO CA C 13 64.573 0.000 . 1 . . . . . 53 Pro CA . 50743 1 254 . 1 . 1 53 53 PRO CB C 13 31.655 0.084 . 1 . . . . . 53 Pro CB . 50743 1 255 . 1 . 1 54 54 ASN H H 1 9.179 0.001 . 1 . . . . . 54 Asn H . 50743 1 256 . 1 . 1 54 54 ASN C C 13 173.274 0.000 . 1 . . . . . 54 Asn C . 50743 1 257 . 1 . 1 54 54 ASN CA C 13 55.560 0.010 . 1 . . . . . 54 Asn CA . 50743 1 258 . 1 . 1 54 54 ASN CB C 13 37.759 0.093 . 1 . . . . . 54 Asn CB . 50743 1 259 . 1 . 1 54 54 ASN N N 15 117.734 0.016 . 1 . . . . . 54 Asn N . 50743 1 260 . 1 . 1 55 55 SER H H 1 8.982 0.002 . 1 . . . . . 55 Ser H . 50743 1 261 . 1 . 1 55 55 SER C C 13 171.856 0.000 . 1 . . . . . 55 Ser C . 50743 1 262 . 1 . 1 55 55 SER CA C 13 61.718 0.020 . 1 . . . . . 55 Ser CA . 50743 1 263 . 1 . 1 55 55 SER CB C 13 63.589 0.054 . 1 . . . . . 55 Ser CB . 50743 1 264 . 1 . 1 55 55 SER N N 15 116.481 0.011 . 1 . . . . . 55 Ser N . 50743 1 265 . 1 . 1 56 56 VAL H H 1 7.618 0.003 . 1 . . . . . 56 Val H . 50743 1 266 . 1 . 1 56 56 VAL CA C 13 57.269 0.000 . 1 . . . . . 56 Val CA . 50743 1 267 . 1 . 1 56 56 VAL CB C 13 34.718 0.000 . 1 . . . . . 56 Val CB . 50743 1 268 . 1 . 1 56 56 VAL N N 15 111.683 0.018 . 1 . . . . . 56 Val N . 50743 1 269 . 1 . 1 57 57 PRO C C 13 173.504 0.000 . 1 . . . . . 57 Pro C . 50743 1 270 . 1 . 1 57 57 PRO CA C 13 60.957 0.036 . 1 . . . . . 57 Pro CA . 50743 1 271 . 1 . 1 57 57 PRO CB C 13 28.900 0.127 . 1 . . . . . 57 Pro CB . 50743 1 272 . 1 . 1 58 58 VAL H H 1 7.902 0.002 . 1 . . . . . 58 Val H . 50743 1 273 . 1 . 1 58 58 VAL C C 13 173.327 0.000 . 1 . . . . . 58 Val C . 50743 1 274 . 1 . 1 58 58 VAL CA C 13 65.962 0.023 . 1 . . . . . 58 Val CA . 50743 1 275 . 1 . 1 58 58 VAL CB C 13 32.780 0.000 . 1 . . . . . 58 Val CB . 50743 1 276 . 1 . 1 58 58 VAL N N 15 126.681 0.013 . 1 . . . . . 58 Val N . 50743 1 277 . 1 . 1 59 59 LYS H H 1 8.400 0.002 . 1 . . . . . 59 Lys H . 50743 1 278 . 1 . 1 59 59 LYS C C 13 175.232 0.000 . 1 . . . . . 59 Lys C . 50743 1 279 . 1 . 1 59 59 LYS CA C 13 57.837 0.024 . 1 . . . . . 59 Lys CA . 50743 1 280 . 1 . 1 59 59 LYS CB C 13 31.562 0.074 . 1 . . . . . 59 Lys CB . 50743 1 281 . 1 . 1 59 59 LYS N N 15 115.655 0.020 . 1 . . . . . 59 Lys N . 50743 1 282 . 1 . 1 60 60 ARG H H 1 7.944 0.001 . 1 . . . . . 60 Arg H . 50743 1 283 . 1 . 1 60 60 ARG C C 13 173.283 0.000 . 1 . . . . . 60 Arg C . 50743 1 284 . 1 . 1 60 60 ARG CA C 13 55.633 0.032 . 1 . . . . . 60 Arg CA . 50743 1 285 . 1 . 1 60 60 ARG CB C 13 30.716 0.083 . 1 . . . . . 60 Arg CB . 50743 1 286 . 1 . 1 60 60 ARG N N 15 116.409 0.011 . 1 . . . . . 60 Arg N . 50743 1 287 . 1 . 1 61 61 VAL H H 1 7.112 0.003 . 1 . . . . . 61 Val H . 50743 1 288 . 1 . 1 61 61 VAL C C 13 171.710 0.000 . 1 . . . . . 61 Val C . 50743 1 289 . 1 . 1 61 61 VAL CA C 13 62.667 0.033 . 1 . . . . . 61 Val CA . 50743 1 290 . 1 . 1 61 61 VAL CB C 13 32.088 0.016 . 1 . . . . . 61 Val CB . 50743 1 291 . 1 . 1 61 61 VAL N N 15 122.140 0.014 . 1 . . . . . 61 Val N . 50743 1 292 . 1 . 1 62 62 LYS H H 1 8.753 0.003 . 1 . . . . . 62 Lys H . 50743 1 293 . 1 . 1 62 62 LYS C C 13 173.239 0.000 . 1 . . . . . 62 Lys C . 50743 1 294 . 1 . 1 62 62 LYS CA C 13 53.494 0.012 . 1 . . . . . 62 Lys CA . 50743 1 295 . 1 . 1 62 62 LYS CB C 13 30.399 0.024 . 1 . . . . . 62 Lys CB . 50743 1 296 . 1 . 1 62 62 LYS N N 15 126.316 0.022 . 1 . . . . . 62 Lys N . 50743 1 297 . 1 . 1 63 63 PHE H H 1 7.722 0.002 . 1 . . . . . 63 Phe H . 50743 1 298 . 1 . 1 63 63 PHE C C 13 173.284 0.000 . 1 . . . . . 63 Phe C . 50743 1 299 . 1 . 1 63 63 PHE CA C 13 61.600 0.014 . 1 . . . . . 63 Phe CA . 50743 1 300 . 1 . 1 63 63 PHE CB C 13 39.422 0.053 . 1 . . . . . 63 Phe CB . 50743 1 301 . 1 . 1 63 63 PHE N N 15 123.126 0.012 . 1 . . . . . 63 Phe N . 50743 1 302 . 1 . 1 64 64 ARG H H 1 8.029 0.003 . 1 . . . . . 64 Arg H . 50743 1 303 . 1 . 1 64 64 ARG C C 13 170.771 0.000 . 1 . . . . . 64 Arg C . 50743 1 304 . 1 . 1 64 64 ARG CA C 13 55.586 0.024 . 1 . . . . . 64 Arg CA . 50743 1 305 . 1 . 1 64 64 ARG CB C 13 31.548 0.053 . 1 . . . . . 64 Arg CB . 50743 1 306 . 1 . 1 64 64 ARG N N 15 120.566 0.024 . 1 . . . . . 64 Arg N . 50743 1 307 . 1 . 1 65 65 THR H H 1 7.389 0.001 . 1 . . . . . 65 Thr H . 50743 1 308 . 1 . 1 65 65 THR C C 13 169.180 0.000 . 1 . . . . . 65 Thr C . 50743 1 309 . 1 . 1 65 65 THR CA C 13 60.079 0.019 . 1 . . . . . 65 Thr CA . 50743 1 310 . 1 . 1 65 65 THR CB C 13 67.308 0.088 . 1 . . . . . 65 Thr CB . 50743 1 311 . 1 . 1 65 65 THR N N 15 119.732 0.014 . 1 . . . . . 65 Thr N . 50743 1 312 . 1 . 1 66 66 ASN H H 1 7.665 0.004 . 1 . . . . . 66 Asn H . 50743 1 313 . 1 . 1 66 66 ASN C C 13 172.156 0.000 . 1 . . . . . 66 Asn C . 50743 1 314 . 1 . 1 66 66 ASN CA C 13 52.293 0.049 . 1 . . . . . 66 Asn CA . 50743 1 315 . 1 . 1 66 66 ASN CB C 13 38.528 0.011 . 1 . . . . . 66 Asn CB . 50743 1 316 . 1 . 1 66 66 ASN N N 15 123.490 0.016 . 1 . . . . . 66 Asn N . 50743 1 317 . 1 . 1 67 67 LEU H H 1 8.108 0.003 . 1 . . . . . 67 Leu H . 50743 1 318 . 1 . 1 67 67 LEU C C 13 172.683 0.000 . 1 . . . . . 67 Leu C . 50743 1 319 . 1 . 1 67 67 LEU CA C 13 52.894 0.000 . 1 . . . . . 67 Leu CA . 50743 1 320 . 1 . 1 67 67 LEU CB C 13 43.704 0.064 . 1 . . . . . 67 Leu CB . 50743 1 321 . 1 . 1 67 67 LEU N N 15 121.034 0.098 . 1 . . . . . 67 Leu N . 50743 1 322 . 1 . 1 68 68 GLU H H 1 8.499 0.002 . 1 . . . . . 68 Glu H . 50743 1 323 . 1 . 1 68 68 GLU C C 13 174.957 0.000 . 1 . . . . . 68 Glu C . 50743 1 324 . 1 . 1 68 68 GLU CA C 13 59.922 0.017 . 1 . . . . . 68 Glu CA . 50743 1 325 . 1 . 1 68 68 GLU CB C 13 29.813 0.115 . 1 . . . . . 68 Glu CB . 50743 1 326 . 1 . 1 68 68 GLU N N 15 126.657 0.031 . 1 . . . . . 68 Glu N . 50743 1 327 . 1 . 1 69 69 HIS H H 1 8.339 0.008 . 1 . . . . . 69 His H . 50743 1 328 . 1 . 1 69 69 HIS C C 13 175.800 0.000 . 1 . . . . . 69 His C . 50743 1 329 . 1 . 1 69 69 HIS CA C 13 59.659 0.073 . 1 . . . . . 69 His CA . 50743 1 330 . 1 . 1 69 69 HIS CB C 13 29.033 0.165 . 1 . . . . . 69 His CB . 50743 1 331 . 1 . 1 69 69 HIS N N 15 112.877 0.016 . 1 . . . . . 69 His N . 50743 1 332 . 1 . 1 70 70 GLU H H 1 7.055 0.006 . 1 . . . . . 70 Glu H . 50743 1 333 . 1 . 1 70 70 GLU C C 13 175.406 0.000 . 1 . . . . . 70 Glu C . 50743 1 334 . 1 . 1 70 70 GLU CA C 13 58.957 0.035 . 1 . . . . . 70 Glu CA . 50743 1 335 . 1 . 1 70 70 GLU CB C 13 29.016 0.000 . 1 . . . . . 70 Glu CB . 50743 1 336 . 1 . 1 70 70 GLU N N 15 120.839 0.025 . 1 . . . . . 70 Glu N . 50743 1 337 . 1 . 1 71 71 TYR H H 1 7.865 0.002 . 1 . . . . . 71 Tyr H . 50743 1 338 . 1 . 1 71 71 TYR C C 13 177.454 0.000 . 1 . . . . . 71 Tyr C . 50743 1 339 . 1 . 1 71 71 TYR CA C 13 56.622 0.029 . 1 . . . . . 71 Tyr CA . 50743 1 340 . 1 . 1 71 71 TYR CB C 13 36.675 0.162 . 1 . . . . . 71 Tyr CB . 50743 1 341 . 1 . 1 71 71 TYR N N 15 121.337 0.012 . 1 . . . . . 71 Tyr N . 50743 1 342 . 1 . 1 72 72 ILE H H 1 8.114 0.001 . 1 . . . . . 72 Ile H . 50743 1 343 . 1 . 1 72 72 ILE C C 13 175.207 0.000 . 1 . . . . . 72 Ile C . 50743 1 344 . 1 . 1 72 72 ILE CA C 13 66.166 0.042 . 1 . . . . . 72 Ile CA . 50743 1 345 . 1 . 1 72 72 ILE CB C 13 38.251 0.061 . 1 . . . . . 72 Ile CB . 50743 1 346 . 1 . 1 72 72 ILE N N 15 116.839 0.005 . 1 . . . . . 72 Ile N . 50743 1 347 . 1 . 1 73 73 GLN H H 1 7.475 0.002 . 1 . . . . . 73 Gln H . 50743 1 348 . 1 . 1 73 73 GLN C C 13 176.578 0.000 . 1 . . . . . 73 Gln C . 50743 1 349 . 1 . 1 73 73 GLN CA C 13 59.535 0.040 . 1 . . . . . 73 Gln CA . 50743 1 350 . 1 . 1 73 73 GLN CB C 13 28.163 0.063 . 1 . . . . . 73 Gln CB . 50743 1 351 . 1 . 1 73 73 GLN N N 15 118.116 0.008 . 1 . . . . . 73 Gln N . 50743 1 352 . 1 . 1 74 74 ASN H H 1 8.222 0.002 . 1 . . . . . 74 Asn H . 50743 1 353 . 1 . 1 74 74 ASN C C 13 175.418 0.000 . 1 . . . . . 74 Asn C . 50743 1 354 . 1 . 1 74 74 ASN CA C 13 55.291 0.049 . 1 . . . . . 74 Asn CA . 50743 1 355 . 1 . 1 74 74 ASN CB C 13 37.154 0.060 . 1 . . . . . 74 Asn CB . 50743 1 356 . 1 . 1 74 74 ASN N N 15 118.961 0.016 . 1 . . . . . 74 Asn N . 50743 1 357 . 1 . 1 75 75 PHE H H 1 8.795 0.002 . 1 . . . . . 75 Phe H . 50743 1 358 . 1 . 1 75 75 PHE C C 13 175.830 0.000 . 1 . . . . . 75 Phe C . 50743 1 359 . 1 . 1 75 75 PHE CA C 13 63.951 0.045 . 1 . . . . . 75 Phe CA . 50743 1 360 . 1 . 1 75 75 PHE CB C 13 39.952 0.002 . 1 . . . . . 75 Phe CB . 50743 1 361 . 1 . 1 75 75 PHE N N 15 119.099 0.018 . 1 . . . . . 75 Phe N . 50743 1 362 . 1 . 1 76 76 LYS H H 1 8.897 0.004 . 1 . . . . . 76 Lys H . 50743 1 363 . 1 . 1 76 76 LYS C C 13 178.252 0.000 . 1 . . . . . 76 Lys C . 50743 1 364 . 1 . 1 76 76 LYS CA C 13 59.972 0.003 . 1 . . . . . 76 Lys CA . 50743 1 365 . 1 . 1 76 76 LYS CB C 13 31.716 0.066 . 1 . . . . . 76 Lys CB . 50743 1 366 . 1 . 1 76 76 LYS N N 15 121.702 0.019 . 1 . . . . . 76 Lys N . 50743 1 367 . 1 . 1 77 77 ILE H H 1 7.786 0.003 . 1 . . . . . 77 Ile H . 50743 1 368 . 1 . 1 77 77 ILE C C 13 176.415 0.000 . 1 . . . . . 77 Ile C . 50743 1 369 . 1 . 1 77 77 ILE CA C 13 65.675 0.011 . 1 . . . . . 77 Ile CA . 50743 1 370 . 1 . 1 77 77 ILE CB C 13 36.957 0.019 . 1 . . . . . 77 Ile CB . 50743 1 371 . 1 . 1 77 77 ILE N N 15 124.322 0.018 . 1 . . . . . 77 Ile N . 50743 1 372 . 1 . 1 78 78 LEU H H 1 7.929 0.002 . 1 . . . . . 78 Leu H . 50743 1 373 . 1 . 1 78 78 LEU C C 13 175.034 0.000 . 1 . . . . . 78 Leu C . 50743 1 374 . 1 . 1 78 78 LEU CA C 13 58.368 0.085 . 1 . . . . . 78 Leu CA . 50743 1 375 . 1 . 1 78 78 LEU CB C 13 41.385 0.000 . 1 . . . . . 78 Leu CB . 50743 1 376 . 1 . 1 78 78 LEU N N 15 123.069 0.025 . 1 . . . . . 78 Leu N . 50743 1 377 . 1 . 1 79 79 GLN H H 1 8.825 0.003 . 1 . . . . . 79 Gln H . 50743 1 378 . 1 . 1 79 79 GLN C C 13 175.808 0.000 . 1 . . . . . 79 Gln C . 50743 1 379 . 1 . 1 79 79 GLN CA C 13 59.033 0.049 . 1 . . . . . 79 Gln CA . 50743 1 380 . 1 . 1 79 79 GLN CB C 13 29.966 0.083 . 1 . . . . . 79 Gln CB . 50743 1 381 . 1 . 1 79 79 GLN N N 15 118.362 0.022 . 1 . . . . . 79 Gln N . 50743 1 382 . 1 . 1 80 80 ALA H H 1 7.999 0.004 . 1 . . . . . 80 Ala H . 50743 1 383 . 1 . 1 80 80 ALA C C 13 178.487 0.000 . 1 . . . . . 80 Ala C . 50743 1 384 . 1 . 1 80 80 ALA CA C 13 55.222 0.028 . 1 . . . . . 80 Ala CA . 50743 1 385 . 1 . 1 80 80 ALA CB C 13 17.799 0.123 . 1 . . . . . 80 Ala CB . 50743 1 386 . 1 . 1 80 80 ALA N N 15 122.581 0.028 . 1 . . . . . 80 Ala N . 50743 1 387 . 1 . 1 81 81 GLY H H 1 8.468 0.002 . 1 . . . . . 81 Gly H . 50743 1 388 . 1 . 1 81 81 GLY C C 13 172.759 0.000 . 1 . . . . . 81 Gly C . 50743 1 389 . 1 . 1 81 81 GLY CA C 13 47.869 0.029 . 1 . . . . . 81 Gly CA . 50743 1 390 . 1 . 1 81 81 GLY N N 15 109.973 0.029 . 1 . . . . . 81 Gly N . 50743 1 391 . 1 . 1 82 82 PHE H H 1 9.237 0.002 . 1 . . . . . 82 Phe H . 50743 1 392 . 1 . 1 82 82 PHE C C 13 175.805 0.000 . 1 . . . . . 82 Phe C . 50743 1 393 . 1 . 1 82 82 PHE CA C 13 58.770 0.051 . 1 . . . . . 82 Phe CA . 50743 1 394 . 1 . 1 82 82 PHE CB C 13 37.076 0.052 . 1 . . . . . 82 Phe CB . 50743 1 395 . 1 . 1 82 82 PHE N N 15 123.036 0.005 . 1 . . . . . 82 Phe N . 50743 1 396 . 1 . 1 83 83 LYS H H 1 8.260 0.003 . 1 . . . . . 83 Lys H . 50743 1 397 . 1 . 1 83 83 LYS C C 13 177.705 0.000 . 1 . . . . . 83 Lys C . 50743 1 398 . 1 . 1 83 83 LYS CB C 13 32.050 0.017 . 1 . . . . . 83 Lys CB . 50743 1 399 . 1 . 1 83 83 LYS N N 15 120.079 0.024 . 1 . . . . . 83 Lys N . 50743 1 400 . 1 . 1 84 84 LYS H H 1 8.224 0.003 . 1 . . . . . 84 Lys H . 50743 1 401 . 1 . 1 84 84 LYS C C 13 175.423 0.000 . 1 . . . . . 84 Lys C . 50743 1 402 . 1 . 1 84 84 LYS CA C 13 59.605 0.048 . 1 . . . . . 84 Lys CA . 50743 1 403 . 1 . 1 84 84 LYS CB C 13 32.937 0.000 . 1 . . . . . 84 Lys CB . 50743 1 404 . 1 . 1 84 84 LYS N N 15 121.137 0.012 . 1 . . . . . 84 Lys N . 50743 1 405 . 1 . 1 85 85 MET H H 1 7.533 0.003 . 1 . . . . . 85 Met H . 50743 1 406 . 1 . 1 85 85 MET C C 13 172.169 0.000 . 1 . . . . . 85 Met C . 50743 1 407 . 1 . 1 85 85 MET CA C 13 52.575 0.027 . 1 . . . . . 85 Met CA . 50743 1 408 . 1 . 1 85 85 MET CB C 13 29.571 0.023 . 1 . . . . . 85 Met CB . 50743 1 409 . 1 . 1 85 85 MET N N 15 112.820 0.053 . 1 . . . . . 85 Met N . 50743 1 410 . 1 . 1 86 86 SER H H 1 7.783 0.003 . 1 . . . . . 86 Ser H . 50743 1 411 . 1 . 1 86 86 SER C C 13 171.581 0.000 . 1 . . . . . 86 Ser C . 50743 1 412 . 1 . 1 86 86 SER CA C 13 59.375 0.028 . 1 . . . . . 86 Ser CA . 50743 1 413 . 1 . 1 86 86 SER CB C 13 61.036 0.256 . 1 . . . . . 86 Ser CB . 50743 1 414 . 1 . 1 86 86 SER N N 15 112.681 0.020 . 1 . . . . . 86 Ser N . 50743 1 415 . 1 . 1 87 87 VAL H H 1 8.682 0.002 . 1 . . . . . 87 Val H . 50743 1 416 . 1 . 1 87 87 VAL C C 13 173.806 0.000 . 1 . . . . . 87 Val C . 50743 1 417 . 1 . 1 87 87 VAL CA C 13 61.767 0.042 . 1 . . . . . 87 Val CA . 50743 1 418 . 1 . 1 87 87 VAL CB C 13 31.427 0.049 . 1 . . . . . 87 Val CB . 50743 1 419 . 1 . 1 87 87 VAL N N 15 121.156 0.024 . 1 . . . . . 87 Val N . 50743 1 420 . 1 . 1 88 88 ASP H H 1 8.784 0.002 . 1 . . . . . 88 Asp H . 50743 1 421 . 1 . 1 88 88 ASP C C 13 171.842 0.000 . 1 . . . . . 88 Asp C . 50743 1 422 . 1 . 1 88 88 ASP CA C 13 52.904 0.015 . 1 . . . . . 88 Asp CA . 50743 1 423 . 1 . 1 88 88 ASP CB C 13 39.442 0.063 . 1 . . . . . 88 Asp CB . 50743 1 424 . 1 . 1 88 88 ASP N N 15 129.690 0.020 . 1 . . . . . 88 Asp N . 50743 1 425 . 1 . 1 89 89 LYS H H 1 7.032 0.001 . 1 . . . . . 89 Lys H . 50743 1 426 . 1 . 1 89 89 LYS C C 13 171.686 0.000 . 1 . . . . . 89 Lys C . 50743 1 427 . 1 . 1 89 89 LYS CA C 13 54.749 0.039 . 1 . . . . . 89 Lys CA . 50743 1 428 . 1 . 1 89 89 LYS CB C 13 35.326 0.041 . 1 . . . . . 89 Lys CB . 50743 1 429 . 1 . 1 89 89 LYS N N 15 123.080 0.026 . 1 . . . . . 89 Lys N . 50743 1 430 . 1 . 1 90 90 ILE H H 1 8.448 0.002 . 1 . . . . . 90 Ile H . 50743 1 431 . 1 . 1 90 90 ILE C C 13 173.420 0.000 . 1 . . . . . 90 Ile C . 50743 1 432 . 1 . 1 90 90 ILE CA C 13 59.838 0.070 . 1 . . . . . 90 Ile CA . 50743 1 433 . 1 . 1 90 90 ILE CB C 13 37.265 0.024 . 1 . . . . . 90 Ile CB . 50743 1 434 . 1 . 1 90 90 ILE N N 15 129.148 0.030 . 1 . . . . . 90 Ile N . 50743 1 435 . 1 . 1 91 91 ILE H H 1 8.943 0.002 . 1 . . . . . 91 Ile H . 50743 1 436 . 1 . 1 91 91 ILE CA C 13 58.806 0.000 . 1 . . . . . 91 Ile CA . 50743 1 437 . 1 . 1 91 91 ILE CB C 13 39.395 0.000 . 1 . . . . . 91 Ile CB . 50743 1 438 . 1 . 1 91 91 ILE N N 15 130.044 0.022 . 1 . . . . . 91 Ile N . 50743 1 439 . 1 . 1 92 92 PRO CA C 13 61.194 0.054 . 1 . . . . . 92 Pro CA . 50743 1 440 . 1 . 1 92 92 PRO CB C 13 27.544 0.048 . 1 . . . . . 92 Pro CB . 50743 1 441 . 1 . 1 93 93 ILE H H 1 8.018 0.002 . 1 . . . . . 93 Ile H . 50743 1 442 . 1 . 1 93 93 ILE C C 13 172.728 0.000 . 1 . . . . . 93 Ile C . 50743 1 443 . 1 . 1 93 93 ILE CA C 13 67.501 0.033 . 1 . . . . . 93 Ile CA . 50743 1 444 . 1 . 1 93 93 ILE CB C 13 38.542 0.120 . 1 . . . . . 93 Ile CB . 50743 1 445 . 1 . 1 93 93 ILE N N 15 124.655 0.011 . 1 . . . . . 93 Ile N . 50743 1 446 . 1 . 1 94 94 ASP H H 1 8.138 0.003 . 1 . . . . . 94 Asp H . 50743 1 447 . 1 . 1 94 94 ASP C C 13 174.949 0.000 . 1 . . . . . 94 Asp C . 50743 1 448 . 1 . 1 94 94 ASP CA C 13 56.923 0.049 . 1 . . . . . 94 Asp CA . 50743 1 449 . 1 . 1 94 94 ASP CB C 13 40.002 0.072 . 1 . . . . . 94 Asp CB . 50743 1 450 . 1 . 1 94 94 ASP N N 15 113.384 0.023 . 1 . . . . . 94 Asp N . 50743 1 451 . 1 . 1 95 95 LYS H H 1 7.098 0.003 . 1 . . . . . 95 Lys H . 50743 1 452 . 1 . 1 95 95 LYS C C 13 176.624 0.000 . 1 . . . . . 95 Lys C . 50743 1 453 . 1 . 1 95 95 LYS CA C 13 57.974 0.030 . 1 . . . . . 95 Lys CA . 50743 1 454 . 1 . 1 95 95 LYS CB C 13 33.062 0.019 . 1 . . . . . 95 Lys CB . 50743 1 455 . 1 . 1 95 95 LYS N N 15 115.302 0.008 . 1 . . . . . 95 Lys N . 50743 1 456 . 1 . 1 96 96 LEU H H 1 7.925 0.004 . 1 . . . . . 96 Leu H . 50743 1 457 . 1 . 1 96 96 LEU C C 13 178.393 0.000 . 1 . . . . . 96 Leu C . 50743 1 458 . 1 . 1 96 96 LEU CA C 13 58.312 0.077 . 1 . . . . . 96 Leu CA . 50743 1 459 . 1 . 1 96 96 LEU CB C 13 41.280 0.096 . 1 . . . . . 96 Leu CB . 50743 1 460 . 1 . 1 96 96 LEU N N 15 119.031 0.008 . 1 . . . . . 96 Leu N . 50743 1 461 . 1 . 1 97 97 VAL H H 1 7.829 0.004 . 1 . . . . . 97 Val H . 50743 1 462 . 1 . 1 97 97 VAL C C 13 172.791 0.000 . 1 . . . . . 97 Val C . 50743 1 463 . 1 . 1 97 97 VAL CA C 13 64.540 0.026 . 1 . . . . . 97 Val CA . 50743 1 464 . 1 . 1 97 97 VAL CB C 13 31.824 0.000 . 1 . . . . . 97 Val CB . 50743 1 465 . 1 . 1 97 97 VAL N N 15 108.276 0.015 . 1 . . . . . 97 Val N . 50743 1 466 . 1 . 1 98 98 LYS H H 1 7.042 0.005 . 1 . . . . . 98 Lys H . 50743 1 467 . 1 . 1 98 98 LYS C C 13 176.053 0.000 . 1 . . . . . 98 Lys C . 50743 1 468 . 1 . 1 98 98 LYS CA C 13 55.729 0.049 . 1 . . . . . 98 Lys CA . 50743 1 469 . 1 . 1 98 98 LYS CB C 13 31.647 0.000 . 1 . . . . . 98 Lys CB . 50743 1 470 . 1 . 1 98 98 LYS N N 15 115.953 0.015 . 1 . . . . . 98 Lys N . 50743 1 471 . 1 . 1 99 99 GLY H H 1 8.051 0.003 . 1 . . . . . 99 Gly H . 50743 1 472 . 1 . 1 99 99 GLY C C 13 171.160 0.000 . 1 . . . . . 99 Gly C . 50743 1 473 . 1 . 1 99 99 GLY CA C 13 47.199 0.048 . 1 . . . . . 99 Gly CA . 50743 1 474 . 1 . 1 99 99 GLY N N 15 104.488 0.000 . 1 . . . . . 99 Gly N . 50743 1 475 . 1 . 1 100 100 ARG H H 1 8.771 0.001 . 1 . . . . . 100 Arg H . 50743 1 476 . 1 . 1 100 100 ARG CA C 13 55.652 0.000 . 1 . . . . . 100 Arg CA . 50743 1 477 . 1 . 1 100 100 ARG CB C 13 30.492 0.000 . 1 . . . . . 100 Arg CB . 50743 1 478 . 1 . 1 100 100 ARG N N 15 117.416 0.007 . 1 . . . . . 100 Arg N . 50743 1 479 . 1 . 1 101 101 PHE C C 13 174.242 0.000 . 1 . . . . . 101 Phe C . 50743 1 480 . 1 . 1 101 101 PHE CA C 13 64.024 0.000 . 1 . . . . . 101 Phe CA . 50743 1 481 . 1 . 1 101 101 PHE CB C 13 39.133 0.000 . 1 . . . . . 101 Phe CB . 50743 1 482 . 1 . 1 102 102 GLN H H 1 9.352 0.002 . 1 . . . . . 102 Gln H . 50743 1 483 . 1 . 1 102 102 GLN C C 13 175.609 0.000 . 1 . . . . . 102 Gln C . 50743 1 484 . 1 . 1 102 102 GLN CA C 13 60.474 0.030 . 1 . . . . . 102 Gln CA . 50743 1 485 . 1 . 1 102 102 GLN CB C 13 27.542 0.034 . 1 . . . . . 102 Gln CB . 50743 1 486 . 1 . 1 102 102 GLN N N 15 119.159 0.014 . 1 . . . . . 102 Gln N . 50743 1 487 . 1 . 1 103 103 ASP H H 1 7.481 0.002 . 1 . . . . . 103 Asp H . 50743 1 488 . 1 . 1 103 103 ASP C C 13 176.353 0.000 . 1 . . . . . 103 Asp C . 50743 1 489 . 1 . 1 103 103 ASP CA C 13 56.666 0.024 . 1 . . . . . 103 Asp CA . 50743 1 490 . 1 . 1 103 103 ASP CB C 13 41.174 0.027 . 1 . . . . . 103 Asp CB . 50743 1 491 . 1 . 1 103 103 ASP N N 15 113.401 0.014 . 1 . . . . . 103 Asp N . 50743 1 492 . 1 . 1 104 104 ASN H H 1 7.369 0.002 . 1 . . . . . 104 Asn H . 50743 1 493 . 1 . 1 104 104 ASN C C 13 175.002 0.000 . 1 . . . . . 104 Asn C . 50743 1 494 . 1 . 1 104 104 ASN CA C 13 57.294 0.020 . 1 . . . . . 104 Asn CA . 50743 1 495 . 1 . 1 104 104 ASN CB C 13 39.251 0.048 . 1 . . . . . 104 Asn CB . 50743 1 496 . 1 . 1 104 104 ASN N N 15 116.673 0.015 . 1 . . . . . 104 Asn N . 50743 1 497 . 1 . 1 105 105 PHE H H 1 9.297 0.002 . 1 . . . . . 105 Phe H . 50743 1 498 . 1 . 1 105 105 PHE C C 13 174.016 0.000 . 1 . . . . . 105 Phe C . 50743 1 499 . 1 . 1 105 105 PHE CA C 13 59.836 0.055 . 1 . . . . . 105 Phe CA . 50743 1 500 . 1 . 1 105 105 PHE CB C 13 38.730 0.053 . 1 . . . . . 105 Phe CB . 50743 1 501 . 1 . 1 105 105 PHE N N 15 123.450 0.026 . 1 . . . . . 105 Phe N . 50743 1 502 . 1 . 1 106 106 GLU H H 1 8.165 0.002 . 1 . . . . . 106 Glu H . 50743 1 503 . 1 . 1 106 106 GLU C C 13 177.059 0.000 . 1 . . . . . 106 Glu C . 50743 1 504 . 1 . 1 106 106 GLU CA C 13 59.581 0.141 . 1 . . . . . 106 Glu CA . 50743 1 505 . 1 . 1 106 106 GLU CB C 13 29.482 0.093 . 1 . . . . . 106 Glu CB . 50743 1 506 . 1 . 1 106 106 GLU N N 15 118.120 0.023 . 1 . . . . . 106 Glu N . 50743 1 507 . 1 . 1 107 107 PHE H H 1 7.684 0.004 . 1 . . . . . 107 Phe H . 50743 1 508 . 1 . 1 107 107 PHE C C 13 173.737 0.000 . 1 . . . . . 107 Phe C . 50743 1 509 . 1 . 1 107 107 PHE CA C 13 62.456 0.060 . 1 . . . . . 107 Phe CA . 50743 1 510 . 1 . 1 107 107 PHE CB C 13 39.668 0.050 . 1 . . . . . 107 Phe CB . 50743 1 511 . 1 . 1 107 107 PHE N N 15 119.594 0.017 . 1 . . . . . 107 Phe N . 50743 1 512 . 1 . 1 108 108 LEU H H 1 7.788 0.004 . 1 . . . . . 108 Leu H . 50743 1 513 . 1 . 1 108 108 LEU C C 13 175.148 0.000 . 1 . . . . . 108 Leu C . 50743 1 514 . 1 . 1 108 108 LEU CA C 13 58.521 0.033 . 1 . . . . . 108 Leu CA . 50743 1 515 . 1 . 1 108 108 LEU CB C 13 40.631 0.000 . 1 . . . . . 108 Leu CB . 50743 1 516 . 1 . 1 108 108 LEU N N 15 120.915 0.007 . 1 . . . . . 108 Leu N . 50743 1 517 . 1 . 1 109 109 GLN H H 1 8.173 0.002 . 1 . . . . . 109 Gln H . 50743 1 518 . 1 . 1 109 109 GLN C C 13 176.515 0.000 . 1 . . . . . 109 Gln C . 50743 1 519 . 1 . 1 109 109 GLN CA C 13 59.405 0.062 . 1 . . . . . 109 Gln CA . 50743 1 520 . 1 . 1 109 109 GLN CB C 13 28.993 0.151 . 1 . . . . . 109 Gln CB . 50743 1 521 . 1 . 1 109 109 GLN N N 15 116.274 0.008 . 1 . . . . . 109 Gln N . 50743 1 522 . 1 . 1 110 110 TRP H H 1 7.406 0.003 . 1 . . . . . 110 Trp H . 50743 1 523 . 1 . 1 110 110 TRP HE1 H 1 9.069 0.000 . 1 . . . . . 110 Trp HE1 . 50743 1 524 . 1 . 1 110 110 TRP C C 13 173.638 0.000 . 1 . . . . . 110 Trp C . 50743 1 525 . 1 . 1 110 110 TRP CA C 13 62.388 0.013 . 1 . . . . . 110 Trp CA . 50743 1 526 . 1 . 1 110 110 TRP CB C 13 27.444 0.012 . 1 . . . . . 110 Trp CB . 50743 1 527 . 1 . 1 110 110 TRP N N 15 119.637 0.014 . 1 . . . . . 110 Trp N . 50743 1 528 . 1 . 1 110 110 TRP NE1 N 15 129.513 0.000 . 1 . . . . . 110 Trp NE1 . 50743 1 529 . 1 . 1 111 111 PHE H H 1 9.084 0.003 . 1 . . . . . 111 Phe H . 50743 1 530 . 1 . 1 111 111 PHE C C 13 174.463 0.000 . 1 . . . . . 111 Phe C . 50743 1 531 . 1 . 1 111 111 PHE CA C 13 61.583 0.044 . 1 . . . . . 111 Phe CA . 50743 1 532 . 1 . 1 111 111 PHE CB C 13 39.565 0.062 . 1 . . . . . 111 Phe CB . 50743 1 533 . 1 . 1 111 111 PHE N N 15 121.542 0.011 . 1 . . . . . 111 Phe N . 50743 1 534 . 1 . 1 112 112 LYS H H 1 8.750 0.003 . 1 . . . . . 112 Lys H . 50743 1 535 . 1 . 1 112 112 LYS C C 13 174.386 0.000 . 1 . . . . . 112 Lys C . 50743 1 536 . 1 . 1 112 112 LYS CA C 13 58.684 0.043 . 1 . . . . . 112 Lys CA . 50743 1 537 . 1 . 1 112 112 LYS CB C 13 31.972 0.000 . 1 . . . . . 112 Lys CB . 50743 1 538 . 1 . 1 112 112 LYS N N 15 119.187 0.028 . 1 . . . . . 112 Lys N . 50743 1 539 . 1 . 1 113 113 LYS H H 1 6.670 0.004 . 1 . . . . . 113 Lys H . 50743 1 540 . 1 . 1 113 113 LYS C C 13 176.709 0.000 . 1 . . . . . 113 Lys C . 50743 1 541 . 1 . 1 113 113 LYS CA C 13 59.035 0.039 . 1 . . . . . 113 Lys CA . 50743 1 542 . 1 . 1 113 113 LYS CB C 13 31.772 0.113 . 1 . . . . . 113 Lys CB . 50743 1 543 . 1 . 1 113 113 LYS N N 15 117.982 0.037 . 1 . . . . . 113 Lys N . 50743 1 544 . 1 . 1 114 114 PHE H H 1 7.678 0.001 . 1 . . . . . 114 Phe H . 50743 1 545 . 1 . 1 114 114 PHE C C 13 174.602 0.000 . 1 . . . . . 114 Phe C . 50743 1 546 . 1 . 1 114 114 PHE CA C 13 61.013 0.090 . 1 . . . . . 114 Phe CA . 50743 1 547 . 1 . 1 114 114 PHE CB C 13 37.929 0.018 . 1 . . . . . 114 Phe CB . 50743 1 548 . 1 . 1 114 114 PHE N N 15 122.599 0.025 . 1 . . . . . 114 Phe N . 50743 1 549 . 1 . 1 115 115 PHE H H 1 9.215 0.001 . 1 . . . . . 115 Phe H . 50743 1 550 . 1 . 1 115 115 PHE C C 13 174.761 0.000 . 1 . . . . . 115 Phe C . 50743 1 551 . 1 . 1 115 115 PHE CA C 13 61.437 0.081 . 1 . . . . . 115 Phe CA . 50743 1 552 . 1 . 1 115 115 PHE CB C 13 39.352 0.062 . 1 . . . . . 115 Phe CB . 50743 1 553 . 1 . 1 115 115 PHE N N 15 124.011 0.021 . 1 . . . . . 115 Phe N . 50743 1 554 . 1 . 1 116 116 ASP H H 1 8.733 0.003 . 1 . . . . . 116 Asp H . 50743 1 555 . 1 . 1 116 116 ASP C C 13 175.846 0.000 . 1 . . . . . 116 Asp C . 50743 1 556 . 1 . 1 116 116 ASP CA C 13 57.153 0.033 . 1 . . . . . 116 Asp CA . 50743 1 557 . 1 . 1 116 116 ASP CB C 13 39.632 0.000 . 1 . . . . . 116 Asp CB . 50743 1 558 . 1 . 1 116 116 ASP N N 15 120.263 0.023 . 1 . . . . . 116 Asp N . 50743 1 559 . 1 . 1 117 117 ALA H H 1 7.321 0.004 . 1 . . . . . 117 Ala H . 50743 1 560 . 1 . 1 117 117 ALA C C 13 174.791 0.000 . 1 . . . . . 117 Ala C . 50743 1 561 . 1 . 1 117 117 ALA CA C 13 53.285 0.035 . 1 . . . . . 117 Ala CA . 50743 1 562 . 1 . 1 117 117 ALA CB C 13 18.892 0.104 . 1 . . . . . 117 Ala CB . 50743 1 563 . 1 . 1 117 117 ALA N N 15 118.643 0.015 . 1 . . . . . 117 Ala N . 50743 1 564 . 1 . 1 118 118 ASN H H 1 7.074 0.005 . 1 . . . . . 118 Asn H . 50743 1 565 . 1 . 1 118 118 ASN C C 13 171.391 0.000 . 1 . . . . . 118 Asn C . 50743 1 566 . 1 . 1 118 118 ASN CA C 13 54.182 0.030 . 1 . . . . . 118 Asn CA . 50743 1 567 . 1 . 1 118 118 ASN CB C 13 43.126 0.121 . 1 . . . . . 118 Asn CB . 50743 1 568 . 1 . 1 118 118 ASN N N 15 113.404 0.016 . 1 . . . . . 118 Asn N . 50743 1 569 . 1 . 1 119 119 TYR H H 1 8.088 0.003 . 1 . . . . . 119 Tyr H . 50743 1 570 . 1 . 1 119 119 TYR C C 13 173.132 0.000 . 1 . . . . . 119 Tyr C . 50743 1 571 . 1 . 1 119 119 TYR CA C 13 57.857 0.030 . 1 . . . . . 119 Tyr CA . 50743 1 572 . 1 . 1 119 119 TYR CB C 13 37.573 0.041 . 1 . . . . . 119 Tyr CB . 50743 1 573 . 1 . 1 119 119 TYR N N 15 122.668 0.017 . 1 . . . . . 119 Tyr N . 50743 1 574 . 1 . 1 120 120 ASP H H 1 7.957 0.002 . 1 . . . . . 120 Asp H . 50743 1 575 . 1 . 1 120 120 ASP CA C 13 52.931 0.000 . 1 . . . . . 120 Asp CA . 50743 1 576 . 1 . 1 120 120 ASP CB C 13 41.072 0.000 . 1 . . . . . 120 Asp CB . 50743 1 577 . 1 . 1 120 120 ASP N N 15 128.511 0.023 . 1 . . . . . 120 Asp N . 50743 1 578 . 1 . 1 121 121 GLY C C 13 171.716 0.000 . 1 . . . . . 121 Gly C . 50743 1 579 . 1 . 1 121 121 GLY CA C 13 46.170 0.029 . 1 . . . . . 121 Gly CA . 50743 1 580 . 1 . 1 122 122 ARG H H 1 7.342 0.002 . 1 . . . . . 122 Arg H . 50743 1 581 . 1 . 1 122 122 ARG C C 13 173.683 0.000 . 1 . . . . . 122 Arg C . 50743 1 582 . 1 . 1 122 122 ARG CA C 13 56.668 0.023 . 1 . . . . . 122 Arg CA . 50743 1 583 . 1 . 1 122 122 ARG CB C 13 30.655 0.084 . 1 . . . . . 122 Arg CB . 50743 1 584 . 1 . 1 122 122 ARG N N 15 120.350 0.009 . 1 . . . . . 122 Arg N . 50743 1 585 . 1 . 1 123 123 ASP H H 1 8.631 0.001 . 1 . . . . . 123 Asp H . 50743 1 586 . 1 . 1 123 123 ASP C C 13 172.760 0.000 . 1 . . . . . 123 Asp C . 50743 1 587 . 1 . 1 123 123 ASP CA C 13 55.192 0.010 . 1 . . . . . 123 Asp CA . 50743 1 588 . 1 . 1 123 123 ASP CB C 13 41.287 0.025 . 1 . . . . . 123 Asp CB . 50743 1 589 . 1 . 1 123 123 ASP N N 15 124.299 0.013 . 1 . . . . . 123 Asp N . 50743 1 590 . 1 . 1 124 124 TYR H H 1 8.575 0.002 . 1 . . . . . 124 Tyr H . 50743 1 591 . 1 . 1 124 124 TYR C C 13 170.644 0.000 . 1 . . . . . 124 Tyr C . 50743 1 592 . 1 . 1 124 124 TYR CA C 13 58.615 0.065 . 1 . . . . . 124 Tyr CA . 50743 1 593 . 1 . 1 124 124 TYR CB C 13 42.155 0.062 . 1 . . . . . 124 Tyr CB . 50743 1 594 . 1 . 1 124 124 TYR N N 15 124.050 0.022 . 1 . . . . . 124 Tyr N . 50743 1 595 . 1 . 1 125 125 ASP H H 1 8.302 0.003 . 1 . . . . . 125 Asp H . 50743 1 596 . 1 . 1 125 125 ASP C C 13 173.683 0.000 . 1 . . . . . 125 Asp C . 50743 1 597 . 1 . 1 125 125 ASP CA C 13 51.545 0.035 . 1 . . . . . 125 Asp CA . 50743 1 598 . 1 . 1 125 125 ASP CB C 13 39.940 0.008 . 1 . . . . . 125 Asp CB . 50743 1 599 . 1 . 1 125 125 ASP N N 15 128.805 0.028 . 1 . . . . . 125 Asp N . 50743 1 600 . 1 . 1 126 126 ALA H H 1 8.271 0.004 . 1 . . . . . 126 Ala H . 50743 1 601 . 1 . 1 126 126 ALA C C 13 177.514 0.000 . 1 . . . . . 126 Ala C . 50743 1 602 . 1 . 1 126 126 ALA CA C 13 54.830 0.073 . 1 . . . . . 126 Ala CA . 50743 1 603 . 1 . 1 126 126 ALA CB C 13 19.707 0.038 . 1 . . . . . 126 Ala CB . 50743 1 604 . 1 . 1 126 126 ALA N N 15 124.464 0.026 . 1 . . . . . 126 Ala N . 50743 1 605 . 1 . 1 127 127 SER H H 1 8.053 0.002 . 1 . . . . . 127 Ser H . 50743 1 606 . 1 . 1 127 127 SER C C 13 174.019 0.000 . 1 . . . . . 127 Ser C . 50743 1 607 . 1 . 1 127 127 SER CA C 13 61.091 0.017 . 1 . . . . . 127 Ser CA . 50743 1 608 . 1 . 1 127 127 SER CB C 13 62.698 0.105 . 1 . . . . . 127 Ser CB . 50743 1 609 . 1 . 1 127 127 SER N N 15 111.032 0.041 . 1 . . . . . 127 Ser N . 50743 1 610 . 1 . 1 128 128 ALA H H 1 7.489 0.002 . 1 . . . . . 128 Ala H . 50743 1 611 . 1 . 1 128 128 ALA C C 13 179.966 0.000 . 1 . . . . . 128 Ala C . 50743 1 612 . 1 . 1 128 128 ALA CA C 13 54.822 0.061 . 1 . . . . . 128 Ala CA . 50743 1 613 . 1 . 1 128 128 ALA CB C 13 17.671 0.042 . 1 . . . . . 128 Ala CB . 50743 1 614 . 1 . 1 128 128 ALA N N 15 124.024 0.016 . 1 . . . . . 128 Ala N . 50743 1 615 . 1 . 1 129 129 VAL H H 1 7.552 0.002 . 1 . . . . . 129 Val H . 50743 1 616 . 1 . 1 129 129 VAL C C 13 174.359 0.000 . 1 . . . . . 129 Val C . 50743 1 617 . 1 . 1 129 129 VAL CA C 13 66.250 0.045 . 1 . . . . . 129 Val CA . 50743 1 618 . 1 . 1 129 129 VAL CB C 13 31.848 0.000 . 1 . . . . . 129 Val CB . 50743 1 619 . 1 . 1 129 129 VAL N N 15 120.344 0.016 . 1 . . . . . 129 Val N . 50743 1 620 . 1 . 1 130 130 ARG H H 1 6.787 0.002 . 1 . . . . . 130 Arg H . 50743 1 621 . 1 . 1 130 130 ARG CA C 13 55.733 0.000 . 1 . . . . . 130 Arg CA . 50743 1 622 . 1 . 1 130 130 ARG CB C 13 30.473 0.000 . 1 . . . . . 130 Arg CB . 50743 1 623 . 1 . 1 130 130 ARG N N 15 114.005 0.012 . 1 . . . . . 130 Arg N . 50743 1 624 . 1 . 1 131 131 GLU C C 13 174.064 0.000 . 1 . . . . . 131 Glu C . 50743 1 625 . 1 . 1 131 131 GLU CA C 13 57.140 0.023 . 1 . . . . . 131 Glu CA . 50743 1 626 . 1 . 1 131 131 GLU CB C 13 27.126 0.000 . 1 . . . . . 131 Glu CB . 50743 1 627 . 1 . 1 132 132 GLY H H 1 8.477 0.002 . 1 . . . . . 132 Gly H . 50743 1 628 . 1 . 1 132 132 GLY C C 13 171.429 0.000 . 1 . . . . . 132 Gly C . 50743 1 629 . 1 . 1 132 132 GLY CA C 13 44.846 0.027 . 1 . . . . . 132 Gly CA . 50743 1 630 . 1 . 1 132 132 GLY N N 15 104.213 0.019 . 1 . . . . . 132 Gly N . 50743 1 631 . 1 . 1 133 133 ALA H H 1 7.286 0.002 . 1 . . . . . 133 Ala H . 50743 1 632 . 1 . 1 133 133 ALA CA C 13 50.646 0.000 . 1 . . . . . 133 Ala CA . 50743 1 633 . 1 . 1 133 133 ALA CB C 13 18.146 0.000 . 1 . . . . . 133 Ala CB . 50743 1 634 . 1 . 1 133 133 ALA N N 15 125.183 0.030 . 1 . . . . . 133 Ala N . 50743 1 635 . 1 . 1 134 134 PRO C C 13 172.303 0.000 . 1 . . . . . 134 Pro C . 50743 1 636 . 1 . 1 134 134 PRO CA C 13 62.264 0.003 . 1 . . . . . 134 Pro CA . 50743 1 637 . 1 . 1 134 134 PRO CB C 13 32.541 0.004 . 1 . . . . . 134 Pro CB . 50743 1 638 . 1 . 1 135 135 MET H H 1 8.270 0.003 . 1 . . . . . 135 Met H . 50743 1 639 . 1 . 1 135 135 MET C C 13 171.443 0.000 . 1 . . . . . 135 Met C . 50743 1 640 . 1 . 1 135 135 MET CA C 13 54.003 0.036 . 1 . . . . . 135 Met CA . 50743 1 641 . 1 . 1 135 135 MET CB C 13 35.764 0.022 . 1 . . . . . 135 Met CB . 50743 1 642 . 1 . 1 135 135 MET N N 15 118.584 0.029 . 1 . . . . . 135 Met N . 50743 1 643 . 1 . 1 136 136 GLY H H 1 7.597 0.002 . 1 . . . . . 136 Gly H . 50743 1 644 . 1 . 1 136 136 GLY C C 13 168.882 0.000 . 1 . . . . . 136 Gly C . 50743 1 645 . 1 . 1 136 136 GLY CA C 13 44.465 0.042 . 1 . . . . . 136 Gly CA . 50743 1 646 . 1 . 1 136 136 GLY N N 15 111.063 0.006 . 1 . . . . . 136 Gly N . 50743 1 647 . 1 . 1 137 137 PHE H H 1 9.231 0.002 . 1 . . . . . 137 Phe H . 50743 1 648 . 1 . 1 137 137 PHE C C 13 172.395 0.000 . 1 . . . . . 137 Phe C . 50743 1 649 . 1 . 1 137 137 PHE CA C 13 57.677 0.020 . 1 . . . . . 137 Phe CA . 50743 1 650 . 1 . 1 137 137 PHE CB C 13 41.778 0.002 . 1 . . . . . 137 Phe CB . 50743 1 651 . 1 . 1 137 137 PHE N N 15 125.749 0.016 . 1 . . . . . 137 Phe N . 50743 1 652 . 1 . 1 138 138 GLY H H 1 7.268 0.002 . 1 . . . . . 138 Gly H . 50743 1 653 . 1 . 1 138 138 GLY C C 13 168.883 0.000 . 1 . . . . . 138 Gly C . 50743 1 654 . 1 . 1 138 138 GLY CA C 13 44.662 0.019 . 1 . . . . . 138 Gly CA . 50743 1 655 . 1 . 1 138 138 GLY N N 15 112.130 0.020 . 1 . . . . . 138 Gly N . 50743 1 656 . 1 . 1 139 139 SER H H 1 8.081 0.004 . 1 . . . . . 139 Ser H . 50743 1 657 . 1 . 1 139 139 SER C C 13 172.816 0.000 . 1 . . . . . 139 Ser C . 50743 1 658 . 1 . 1 139 139 SER CA C 13 58.160 0.037 . 1 . . . . . 139 Ser CA . 50743 1 659 . 1 . 1 139 139 SER CB C 13 64.200 0.087 . 1 . . . . . 139 Ser CB . 50743 1 660 . 1 . 1 139 139 SER N N 15 112.906 0.017 . 1 . . . . . 139 Ser N . 50743 1 661 . 1 . 1 140 140 GLY H H 1 8.560 0.001 . 1 . . . . . 140 Gly H . 50743 1 662 . 1 . 1 140 140 GLY C C 13 171.147 0.000 . 1 . . . . . 140 Gly C . 50743 1 663 . 1 . 1 140 140 GLY CA C 13 45.248 0.007 . 1 . . . . . 140 Gly CA . 50743 1 664 . 1 . 1 140 140 GLY N N 15 111.849 0.007 . 1 . . . . . 140 Gly N . 50743 1 665 . 1 . 1 141 141 ALA H H 1 8.114 0.002 . 1 . . . . . 141 Ala H . 50743 1 666 . 1 . 1 141 141 ALA C C 13 175.638 0.000 . 1 . . . . . 141 Ala C . 50743 1 667 . 1 . 1 141 141 ALA CA C 13 52.370 0.021 . 1 . . . . . 141 Ala CA . 50743 1 668 . 1 . 1 141 141 ALA CB C 13 19.287 0.035 . 1 . . . . . 141 Ala CB . 50743 1 669 . 1 . 1 141 141 ALA N N 15 123.814 0.019 . 1 . . . . . 141 Ala N . 50743 1 670 . 1 . 1 142 142 VAL H H 1 8.076 0.001 . 1 . . . . . 142 Val H . 50743 1 671 . 1 . 1 142 142 VAL C C 13 173.414 0.000 . 1 . . . . . 142 Val C . 50743 1 672 . 1 . 1 142 142 VAL CA C 13 62.232 0.004 . 1 . . . . . 142 Val CA . 50743 1 673 . 1 . 1 142 142 VAL CB C 13 32.835 0.109 . 1 . . . . . 142 Val CB . 50743 1 674 . 1 . 1 142 142 VAL N N 15 119.910 0.009 . 1 . . . . . 142 Val N . 50743 1 675 . 1 . 1 143 143 LYS H H 1 8.385 0.002 . 1 . . . . . 143 Lys H . 50743 1 676 . 1 . 1 143 143 LYS C C 13 173.581 0.000 . 1 . . . . . 143 Lys C . 50743 1 677 . 1 . 1 143 143 LYS CA C 13 56.182 0.024 . 1 . . . . . 143 Lys CA . 50743 1 678 . 1 . 1 143 143 LYS CB C 13 32.997 0.067 . 1 . . . . . 143 Lys CB . 50743 1 679 . 1 . 1 143 143 LYS N N 15 125.684 0.019 . 1 . . . . . 143 Lys N . 50743 1 680 . 1 . 1 144 144 SER H H 1 8.240 0.002 . 1 . . . . . 144 Ser H . 50743 1 681 . 1 . 1 144 144 SER C C 13 171.217 0.000 . 1 . . . . . 144 Ser C . 50743 1 682 . 1 . 1 144 144 SER CA C 13 58.040 0.082 . 1 . . . . . 144 Ser CA . 50743 1 683 . 1 . 1 144 144 SER CB C 13 63.772 0.085 . 1 . . . . . 144 Ser CB . 50743 1 684 . 1 . 1 144 144 SER N N 15 117.546 0.021 . 1 . . . . . 144 Ser N . 50743 1 685 . 1 . 1 145 145 LEU H H 1 8.306 0.002 . 1 . . . . . 145 Leu H . 50743 1 686 . 1 . 1 145 145 LEU CA C 13 53.097 0.000 . 1 . . . . . 145 Leu CA . 50743 1 687 . 1 . 1 145 145 LEU CB C 13 41.690 0.000 . 1 . . . . . 145 Leu CB . 50743 1 688 . 1 . 1 145 145 LEU N N 15 125.353 0.014 . 1 . . . . . 145 Leu N . 50743 1 689 . 1 . 1 146 146 PRO C C 13 174.859 0.000 . 1 . . . . . 146 Pro C . 50743 1 690 . 1 . 1 146 146 PRO CA C 13 63.453 0.029 . 1 . . . . . 146 Pro CA . 50743 1 691 . 1 . 1 146 146 PRO CB C 13 31.935 0.062 . 1 . . . . . 146 Pro CB . 50743 1 692 . 1 . 1 147 147 GLY H H 1 8.460 0.002 . 1 . . . . . 147 Gly H . 50743 1 693 . 1 . 1 147 147 GLY C C 13 171.833 0.000 . 1 . . . . . 147 Gly C . 50743 1 694 . 1 . 1 147 147 GLY CA C 13 45.423 0.054 . 1 . . . . . 147 Gly CA . 50743 1 695 . 1 . 1 147 147 GLY N N 15 109.182 0.011 . 1 . . . . . 147 Gly N . 50743 1 696 . 1 . 1 148 148 THR H H 1 7.939 0.002 . 1 . . . . . 148 Thr H . 50743 1 697 . 1 . 1 148 148 THR C C 13 171.901 0.000 . 1 . . . . . 148 Thr C . 50743 1 698 . 1 . 1 148 148 THR CA C 13 61.864 0.010 . 1 . . . . . 148 Thr CA . 50743 1 699 . 1 . 1 148 148 THR CB C 13 70.016 0.027 . 1 . . . . . 148 Thr CB . 50743 1 700 . 1 . 1 148 148 THR N N 15 113.258 0.012 . 1 . . . . . 148 Thr N . 50743 1 701 . 1 . 1 149 149 ALA H H 1 8.348 0.002 . 1 . . . . . 149 Ala H . 50743 1 702 . 1 . 1 149 149 ALA C C 13 174.945 0.000 . 1 . . . . . 149 Ala C . 50743 1 703 . 1 . 1 149 149 ALA CA C 13 52.696 0.039 . 1 . . . . . 149 Ala CA . 50743 1 704 . 1 . 1 149 149 ALA CB C 13 19.172 0.038 . 1 . . . . . 149 Ala CB . 50743 1 705 . 1 . 1 149 149 ALA N N 15 126.570 0.025 . 1 . . . . . 149 Ala N . 50743 1 706 . 1 . 1 150 150 ALA H H 1 8.256 0.002 . 1 . . . . . 150 Ala H . 50743 1 707 . 1 . 1 150 150 ALA CA C 13 52.868 0.000 . 1 . . . . . 150 Ala CA . 50743 1 708 . 1 . 1 150 150 ALA CB C 13 19.503 0.000 . 1 . . . . . 150 Ala CB . 50743 1 709 . 1 . 1 150 150 ALA N N 15 123.427 0.009 . 1 . . . . . 150 Ala N . 50743 1 710 . 1 . 1 152 152 GLY C C 13 172.337 0.000 . 1 . . . . . 152 Gly C . 50743 1 711 . 1 . 1 152 152 GLY CA C 13 45.356 0.044 . 1 . . . . . 152 Gly CA . 50743 1 712 . 1 . 1 153 153 VAL H H 1 7.942 0.005 . 1 . . . . . 153 Val H . 50743 1 713 . 1 . 1 153 153 VAL CA C 13 62.457 0.000 . 1 . . . . . 153 Val CA . 50743 1 714 . 1 . 1 153 153 VAL CB C 13 32.598 0.000 . 1 . . . . . 153 Val CB . 50743 1 715 . 1 . 1 153 153 VAL N N 15 118.973 0.014 . 1 . . . . . 153 Val N . 50743 1 716 . 1 . 1 154 154 SER C C 13 172.472 0.000 . 1 . . . . . 154 Ser C . 50743 1 717 . 1 . 1 154 154 SER CA C 13 58.586 0.066 . 1 . . . . . 154 Ser CA . 50743 1 718 . 1 . 1 154 154 SER CB C 13 63.838 0.084 . 1 . . . . . 154 Ser CB . 50743 1 719 . 1 . 1 155 155 SER H H 1 8.338 0.004 . 1 . . . . . 155 Ser H . 50743 1 720 . 1 . 1 155 155 SER C C 13 172.183 0.000 . 1 . . . . . 155 Ser C . 50743 1 721 . 1 . 1 155 155 SER CA C 13 58.489 0.019 . 1 . . . . . 155 Ser CA . 50743 1 722 . 1 . 1 155 155 SER CB C 13 63.762 0.091 . 1 . . . . . 155 Ser CB . 50743 1 723 . 1 . 1 155 155 SER N N 15 110.766 0.038 . 1 . . . . . 155 Ser N . 50743 1 724 . 1 . 1 156 156 SER H H 1 8.369 0.003 . 1 . . . . . 156 Ser H . 50743 1 725 . 1 . 1 156 156 SER C C 13 171.497 0.000 . 1 . . . . . 156 Ser C . 50743 1 726 . 1 . 1 156 156 SER CA C 13 58.753 0.060 . 1 . . . . . 156 Ser CA . 50743 1 727 . 1 . 1 156 156 SER CB C 13 63.699 0.067 . 1 . . . . . 156 Ser CB . 50743 1 728 . 1 . 1 156 156 SER N N 15 117.989 0.012 . 1 . . . . . 156 Ser N . 50743 1 729 . 1 . 1 157 157 TYR H H 1 8.000 0.001 . 1 . . . . . 157 Tyr H . 50743 1 730 . 1 . 1 157 157 TYR C C 13 172.783 0.000 . 1 . . . . . 157 Tyr C . 50743 1 731 . 1 . 1 157 157 TYR CA C 13 58.135 0.067 . 1 . . . . . 157 Tyr CA . 50743 1 732 . 1 . 1 157 157 TYR CB C 13 38.629 0.035 . 1 . . . . . 157 Tyr CB . 50743 1 733 . 1 . 1 157 157 TYR N N 15 122.016 0.005 . 1 . . . . . 157 Tyr N . 50743 1 734 . 1 . 1 158 158 ARG H H 1 8.038 0.002 . 1 . . . . . 158 Arg H . 50743 1 735 . 1 . 1 158 158 ARG C C 13 172.879 0.000 . 1 . . . . . 158 Arg C . 50743 1 736 . 1 . 1 158 158 ARG CA C 13 55.889 0.070 . 1 . . . . . 158 Arg CA . 50743 1 737 . 1 . 1 158 158 ARG CB C 13 30.894 0.023 . 1 . . . . . 158 Arg CB . 50743 1 738 . 1 . 1 158 158 ARG N N 15 123.239 0.016 . 1 . . . . . 158 Arg N . 50743 1 739 . 1 . 1 159 159 ARG H H 1 8.234 0.002 . 1 . . . . . 159 Arg H . 50743 1 740 . 1 . 1 159 159 ARG C C 13 175.020 0.000 . 1 . . . . . 159 Arg C . 50743 1 741 . 1 . 1 159 159 ARG CA C 13 56.064 0.000 . 1 . . . . . 159 Arg CA . 50743 1 742 . 1 . 1 159 159 ARG CB C 13 31.232 0.000 . 1 . . . . . 159 Arg CB . 50743 1 743 . 1 . 1 159 159 ARG N N 15 122.555 0.013 . 1 . . . . . 159 Arg N . 50743 1 744 . 1 . 1 160 160 GLY H H 1 8.242 0.025 . 1 . . . . . 160 Gly H . 50743 1 745 . 1 . 1 160 160 GLY CA C 13 44.529 0.000 . 1 . . . . . 160 Gly CA . 50743 1 746 . 1 . 1 160 160 GLY N N 15 110.276 0.096 . 1 . . . . . 160 Gly N . 50743 1 747 . 1 . 1 161 161 PRO C C 13 172.163 0.000 . 1 . . . . . 161 Pro C . 50743 1 748 . 1 . 1 161 161 PRO CA C 13 62.293 0.000 . 1 . . . . . 161 Pro CA . 50743 1 749 . 1 . 1 162 162 SER H H 1 8.408 0.007 . 1 . . . . . 162 Ser H . 50743 1 750 . 1 . 1 162 162 SER C C 13 171.727 0.000 . 1 . . . . . 162 Ser C . 50743 1 751 . 1 . 1 162 162 SER CA C 13 58.395 0.015 . 1 . . . . . 162 Ser CA . 50743 1 752 . 1 . 1 162 162 SER CB C 13 63.741 0.082 . 1 . . . . . 162 Ser CB . 50743 1 753 . 1 . 1 162 162 SER N N 15 119.752 0.033 . 1 . . . . . 162 Ser N . 50743 1 754 . 1 . 1 163 163 ALA H H 1 8.335 0.002 . 1 . . . . . 163 Ala H . 50743 1 755 . 1 . 1 163 163 ALA C C 13 175.200 0.000 . 1 . . . . . 163 Ala C . 50743 1 756 . 1 . 1 163 163 ALA CA C 13 52.776 0.028 . 1 . . . . . 163 Ala CA . 50743 1 757 . 1 . 1 163 163 ALA CB C 13 19.329 0.068 . 1 . . . . . 163 Ala CB . 50743 1 758 . 1 . 1 163 163 ALA N N 15 125.871 0.005 . 1 . . . . . 163 Ala N . 50743 1 759 . 1 . 1 164 164 THR H H 1 8.108 0.002 . 1 . . . . . 164 Thr H . 50743 1 760 . 1 . 1 164 164 THR C C 13 172.000 0.000 . 1 . . . . . 164 Thr C . 50743 1 761 . 1 . 1 164 164 THR CB C 13 69.721 0.088 . 1 . . . . . 164 Thr CB . 50743 1 762 . 1 . 1 164 164 THR N N 15 112.783 0.009 . 1 . . . . . 164 Thr N . 50743 1 763 . 1 . 1 165 165 THR H H 1 8.069 0.002 . 1 . . . . . 165 Thr H . 50743 1 764 . 1 . 1 165 165 THR C C 13 171.385 0.000 . 1 . . . . . 165 Thr C . 50743 1 765 . 1 . 1 165 165 THR CA C 13 61.876 0.064 . 1 . . . . . 165 Thr CA . 50743 1 766 . 1 . 1 165 165 THR CB C 13 69.486 0.000 . 1 . . . . . 165 Thr CB . 50743 1 767 . 1 . 1 165 165 THR N N 15 116.775 0.011 . 1 . . . . . 165 Thr N . 50743 1 768 . 1 . 1 166 166 ARG H H 1 8.325 0.001 . 1 . . . . . 166 Arg H . 50743 1 769 . 1 . 1 166 166 ARG CA C 13 54.026 0.000 . 1 . . . . . 166 Arg CA . 50743 1 770 . 1 . 1 166 166 ARG CB C 13 30.183 0.000 . 1 . . . . . 166 Arg CB . 50743 1 771 . 1 . 1 166 166 ARG N N 15 124.840 0.024 . 1 . . . . . 166 Arg N . 50743 1 772 . 1 . 1 167 167 PRO C C 13 173.170 0.000 . 1 . . . . . 167 Pro C . 50743 1 773 . 1 . 1 167 167 PRO CA C 13 62.335 0.015 . 1 . . . . . 167 Pro CA . 50743 1 774 . 1 . 1 167 167 PRO CB C 13 32.880 0.014 . 1 . . . . . 167 Pro CB . 50743 1 775 . 1 . 1 168 168 ALA H H 1 8.421 0.002 . 1 . . . . . 168 Ala H . 50743 1 776 . 1 . 1 168 168 ALA CA C 13 56.080 0.000 . 1 . . . . . 168 Ala CA . 50743 1 777 . 1 . 1 168 168 ALA CB C 13 19.219 0.006 . 1 . . . . . 168 Ala CB . 50743 1 778 . 1 . 1 168 168 ALA N N 15 126.404 0.056 . 1 . . . . . 168 Ala N . 50743 1 779 . 1 . 1 169 169 MET H H 1 8.425 0.001 . 1 . . . . . 169 Met H . 50743 1 780 . 1 . 1 169 169 MET C C 13 173.683 0.000 . 1 . . . . . 169 Met C . 50743 1 781 . 1 . 1 169 169 MET CA C 13 55.594 0.038 . 1 . . . . . 169 Met CA . 50743 1 782 . 1 . 1 169 169 MET CB C 13 32.900 0.051 . 1 . . . . . 169 Met CB . 50743 1 783 . 1 . 1 169 169 MET N N 15 119.993 0.062 . 1 . . . . . 169 Met N . 50743 1 784 . 1 . 1 170 170 THR H H 1 8.135 0.002 . 1 . . . . . 170 Thr H . 50743 1 785 . 1 . 1 170 170 THR C C 13 171.781 0.000 . 1 . . . . . 170 Thr C . 50743 1 786 . 1 . 1 170 170 THR CA C 13 61.730 0.050 . 1 . . . . . 170 Thr CA . 50743 1 787 . 1 . 1 170 170 THR CB C 13 69.670 0.078 . 1 . . . . . 170 Thr CB . 50743 1 788 . 1 . 1 170 170 THR N N 15 115.183 0.027 . 1 . . . . . 170 Thr N . 50743 1 789 . 1 . 1 171 171 SER H H 1 8.274 0.004 . 1 . . . . . 171 Ser H . 50743 1 790 . 1 . 1 171 171 SER C C 13 171.335 0.000 . 1 . . . . . 171 Ser C . 50743 1 791 . 1 . 1 171 171 SER CA C 13 58.347 0.010 . 1 . . . . . 171 Ser CA . 50743 1 792 . 1 . 1 171 171 SER CB C 13 63.847 0.077 . 1 . . . . . 171 Ser CB . 50743 1 793 . 1 . 1 171 171 SER N N 15 117.969 0.066 . 1 . . . . . 171 Ser N . 50743 1 794 . 1 . 1 172 172 ALA H H 1 8.300 0.003 . 1 . . . . . 172 Ala H . 50743 1 795 . 1 . 1 172 172 ALA C C 13 174.807 0.000 . 1 . . . . . 172 Ala C . 50743 1 796 . 1 . 1 172 172 ALA CA C 13 52.504 0.027 . 1 . . . . . 172 Ala CA . 50743 1 797 . 1 . 1 172 172 ALA CB C 13 19.288 0.048 . 1 . . . . . 172 Ala CB . 50743 1 798 . 1 . 1 172 172 ALA N N 15 126.207 0.018 . 1 . . . . . 172 Ala N . 50743 1 799 . 1 . 1 173 173 VAL H H 1 8.042 0.001 . 1 . . . . . 173 Val H . 50743 1 800 . 1 . 1 173 173 VAL C C 13 173.247 0.000 . 1 . . . . . 173 Val C . 50743 1 801 . 1 . 1 173 173 VAL CA C 13 62.213 0.051 . 1 . . . . . 173 Val CA . 50743 1 802 . 1 . 1 173 173 VAL CB C 13 32.599 0.144 . 1 . . . . . 173 Val CB . 50743 1 803 . 1 . 1 173 173 VAL N N 15 119.732 0.027 . 1 . . . . . 173 Val N . 50743 1 804 . 1 . 1 174 174 LYS H H 1 8.374 0.001 . 1 . . . . . 174 Lys H . 50743 1 805 . 1 . 1 174 174 LYS CA C 13 54.111 0.000 . 1 . . . . . 174 Lys CA . 50743 1 806 . 1 . 1 174 174 LYS N N 15 127.134 0.071 . 1 . . . . . 174 Lys N . 50743 1 807 . 1 . 1 175 175 PRO C C 13 173.405 0.000 . 1 . . . . . 175 Pro C . 50743 1 808 . 1 . 1 175 175 PRO CA C 13 62.630 0.074 . 1 . . . . . 175 Pro CA . 50743 1 809 . 1 . 1 175 175 PRO CB C 13 34.572 0.044 . 1 . . . . . 175 Pro CB . 50743 1 810 . 1 . 1 176 176 THR H H 1 8.452 0.002 . 1 . . . . . 176 Thr H . 50743 1 811 . 1 . 1 176 176 THR C C 13 171.857 0.000 . 1 . . . . . 176 Thr C . 50743 1 812 . 1 . 1 176 176 THR CA C 13 62.070 0.014 . 1 . . . . . 176 Thr CA . 50743 1 813 . 1 . 1 176 176 THR CB C 13 69.748 0.134 . 1 . . . . . 176 Thr CB . 50743 1 814 . 1 . 1 176 176 THR N N 15 115.729 0.018 . 1 . . . . . 176 Thr N . 50743 1 815 . 1 . 1 177 177 VAL H H 1 8.168 0.001 . 1 . . . . . 177 Val H . 50743 1 816 . 1 . 1 177 177 VAL C C 13 173.769 0.000 . 1 . . . . . 177 Val C . 50743 1 817 . 1 . 1 177 177 VAL CA C 13 62.372 0.038 . 1 . . . . . 177 Val CA . 50743 1 818 . 1 . 1 177 177 VAL CB C 13 32.785 0.068 . 1 . . . . . 177 Val CB . 50743 1 819 . 1 . 1 177 177 VAL N N 15 122.952 0.039 . 1 . . . . . 177 Val N . 50743 1 820 . 1 . 1 178 178 SER H H 1 8.409 0.002 . 1 . . . . . 178 Ser H . 50743 1 821 . 1 . 1 178 178 SER C C 13 171.605 0.000 . 1 . . . . . 178 Ser C . 50743 1 822 . 1 . 1 178 178 SER CA C 13 58.263 0.012 . 1 . . . . . 178 Ser CA . 50743 1 823 . 1 . 1 178 178 SER CB C 13 63.798 0.059 . 1 . . . . . 178 Ser CB . 50743 1 824 . 1 . 1 178 178 SER N N 15 119.328 0.013 . 1 . . . . . 178 Ser N . 50743 1 825 . 1 . 1 179 179 LYS H H 1 8.363 0.001 . 1 . . . . . 179 Lys H . 50743 1 826 . 1 . 1 179 179 LYS C C 13 173.410 0.000 . 1 . . . . . 179 Lys C . 50743 1 827 . 1 . 1 179 179 LYS CA C 13 56.207 0.049 . 1 . . . . . 179 Lys CA . 50743 1 828 . 1 . 1 179 179 LYS CB C 13 32.927 0.162 . 1 . . . . . 179 Lys CB . 50743 1 829 . 1 . 1 179 179 LYS N N 15 124.038 0.015 . 1 . . . . . 179 Lys N . 50743 1 830 . 1 . 1 180 180 VAL H H 1 7.988 0.002 . 1 . . . . . 180 Val H . 50743 1 831 . 1 . 1 180 180 VAL C C 13 171.941 0.000 . 1 . . . . . 180 Val C . 50743 1 832 . 1 . 1 180 180 VAL CA C 13 62.619 0.043 . 1 . . . . . 180 Val CA . 50743 1 833 . 1 . 1 180 180 VAL CB C 13 32.708 0.015 . 1 . . . . . 180 Val CB . 50743 1 834 . 1 . 1 180 180 VAL N N 15 120.846 0.023 . 1 . . . . . 180 Val N . 50743 1 835 . 1 . 1 181 181 LEU H H 1 7.886 0.002 . 1 . . . . . 181 Leu H . 50743 1 836 . 1 . 1 181 181 LEU CA C 13 52.323 0.000 . 1 . . . . . 181 Leu CA . 50743 1 837 . 1 . 1 181 181 LEU CB C 13 43.461 0.000 . 1 . . . . . 181 Leu CB . 50743 1 838 . 1 . 1 181 181 LEU N N 15 124.367 0.011 . 1 . . . . . 181 Leu N . 50743 1 839 . 1 . 1 182 182 PRO C C 13 174.075 0.000 . 1 . . . . . 182 Pro C . 50743 1 840 . 1 . 1 182 182 PRO CA C 13 62.945 0.001 . 1 . . . . . 182 Pro CA . 50743 1 841 . 1 . 1 182 182 PRO CB C 13 32.137 0.000 . 1 . . . . . 182 Pro CB . 50743 1 842 . 1 . 1 183 183 ARG H H 1 8.423 0.002 . 1 . . . . . 183 Arg H . 50743 1 843 . 1 . 1 183 183 ARG C C 13 173.905 0.000 . 1 . . . . . 183 Arg C . 50743 1 844 . 1 . 1 183 183 ARG CA C 13 56.091 0.048 . 1 . . . . . 183 Arg CA . 50743 1 845 . 1 . 1 183 183 ARG CB C 13 30.811 0.029 . 1 . . . . . 183 Arg CB . 50743 1 846 . 1 . 1 183 183 ARG N N 15 121.403 0.008 . 1 . . . . . 183 Arg N . 50743 1 847 . 1 . 1 184 184 THR H H 1 8.160 0.002 . 1 . . . . . 184 Thr H . 50743 1 848 . 1 . 1 184 184 THR C C 13 171.476 0.000 . 1 . . . . . 184 Thr C . 50743 1 849 . 1 . 1 184 184 THR CA C 13 61.670 0.058 . 1 . . . . . 184 Thr CA . 50743 1 850 . 1 . 1 184 184 THR CB C 13 69.937 0.000 . 1 . . . . . 184 Thr CB . 50743 1 851 . 1 . 1 184 184 THR N N 15 115.093 0.023 . 1 . . . . . 184 Thr N . 50743 1 852 . 1 . 1 185 185 ASN H H 1 8.478 0.002 . 1 . . . . . 185 Asn H . 50743 1 853 . 1 . 1 185 185 ASN C C 13 170.929 0.000 . 1 . . . . . 185 Asn C . 50743 1 854 . 1 . 1 185 185 ASN CA C 13 53.270 0.052 . 1 . . . . . 185 Asn CA . 50743 1 855 . 1 . 1 185 185 ASN CB C 13 38.977 0.030 . 1 . . . . . 185 Asn CB . 50743 1 856 . 1 . 1 185 185 ASN N N 15 120.987 0.020 . 1 . . . . . 185 Asn N . 50743 1 857 . 1 . 1 186 186 ASN H H 1 7.833 0.001 . 1 . . . . . 186 Asn H . 50743 1 858 . 1 . 1 186 186 ASN C C 13 171.957 0.000 . 1 . . . . . 186 Asn C . 50743 1 859 . 1 . 1 186 186 ASN CA C 13 53.352 0.000 . 1 . . . . . 186 Asn CA . 50743 1 860 . 1 . 1 186 186 ASN CB C 13 38.905 0.133 . 1 . . . . . 186 Asn CB . 50743 1 861 . 1 . 1 186 186 ASN N N 15 129.987 0.069 . 1 . . . . . 186 Asn N . 50743 1 862 . 1 . 1 187 187 ALA H H 1 8.142 0.001 . 1 . . . . . 187 Ala H . 50743 1 863 . 1 . 1 187 187 ALA C C 13 174.288 0.000 . 1 . . . . . 187 Ala C . 50743 1 864 . 1 . 1 187 187 ALA CA C 13 52.250 0.032 . 1 . . . . . 187 Ala CA . 50743 1 865 . 1 . 1 187 187 ALA CB C 13 19.281 0.041 . 1 . . . . . 187 Ala CB . 50743 1 866 . 1 . 1 187 187 ALA N N 15 124.084 0.005 . 1 . . . . . 187 Ala N . 50743 1 867 . 1 . 1 188 188 ALA H H 1 8.194 0.001 . 1 . . . . . 188 Ala H . 50743 1 868 . 1 . 1 188 188 ALA CA C 13 50.517 0.000 . 1 . . . . . 188 Ala CA . 50743 1 869 . 1 . 1 188 188 ALA CB C 13 18.035 0.000 . 1 . . . . . 188 Ala CB . 50743 1 870 . 1 . 1 188 188 ALA N N 15 124.790 0.020 . 1 . . . . . 188 Ala N . 50743 1 871 . 1 . 1 189 189 PRO C C 13 174.172 0.000 . 1 . . . . . 189 Pro C . 50743 1 872 . 1 . 1 189 189 PRO CA C 13 63.264 0.000 . 1 . . . . . 189 Pro CA . 50743 1 873 . 1 . 1 189 189 PRO CB C 13 31.901 0.001 . 1 . . . . . 189 Pro CB . 50743 1 874 . 1 . 1 190 190 ALA H H 1 8.394 0.002 . 1 . . . . . 190 Ala H . 50743 1 875 . 1 . 1 190 190 ALA C C 13 175.188 0.000 . 1 . . . . . 190 Ala C . 50743 1 876 . 1 . 1 190 190 ALA CA C 13 52.746 0.049 . 1 . . . . . 190 Ala CA . 50743 1 877 . 1 . 1 190 190 ALA CB C 13 19.188 0.090 . 1 . . . . . 190 Ala CB . 50743 1 878 . 1 . 1 190 190 ALA N N 15 124.080 0.010 . 1 . . . . . 190 Ala N . 50743 1 879 . 1 . 1 191 191 SER H H 1 8.199 0.002 . 1 . . . . . 191 Ser H . 50743 1 880 . 1 . 1 191 191 SER C C 13 171.775 0.000 . 1 . . . . . 191 Ser C . 50743 1 881 . 1 . 1 191 191 SER CA C 13 58.367 0.030 . 1 . . . . . 191 Ser CA . 50743 1 882 . 1 . 1 191 191 SER CB C 13 63.764 0.067 . 1 . . . . . 191 Ser CB . 50743 1 883 . 1 . 1 191 191 SER N N 15 114.688 0.031 . 1 . . . . . 191 Ser N . 50743 1 884 . 1 . 1 192 192 ARG H H 1 8.278 0.002 . 1 . . . . . 192 Arg H . 50743 1 885 . 1 . 1 192 192 ARG C C 13 173.535 0.000 . 1 . . . . . 192 Arg C . 50743 1 886 . 1 . 1 192 192 ARG CA C 13 56.167 0.013 . 1 . . . . . 192 Arg CA . 50743 1 887 . 1 . 1 192 192 ARG CB C 13 30.729 0.114 . 1 . . . . . 192 Arg CB . 50743 1 888 . 1 . 1 192 192 ARG N N 15 122.950 0.010 . 1 . . . . . 192 Arg N . 50743 1 889 . 1 . 1 193 193 ILE H H 1 8.073 0.001 . 1 . . . . . 193 Ile H . 50743 1 890 . 1 . 1 193 193 ILE C C 13 173.208 0.000 . 1 . . . . . 193 Ile C . 50743 1 891 . 1 . 1 193 193 ILE CA C 13 61.314 0.021 . 1 . . . . . 193 Ile CA . 50743 1 892 . 1 . 1 193 193 ILE CB C 13 38.676 0.069 . 1 . . . . . 193 Ile CB . 50743 1 893 . 1 . 1 193 193 ILE N N 15 121.474 0.024 . 1 . . . . . 193 Ile N . 50743 1 894 . 1 . 1 194 194 ASN H H 1 8.448 0.002 . 1 . . . . . 194 Asn H . 50743 1 895 . 1 . 1 194 194 ASN CA C 13 53.231 0.044 . 1 . . . . . 194 Asn CA . 50743 1 896 . 1 . 1 194 194 ASN CB C 13 39.636 1.115 . 1 . . . . . 194 Asn CB . 50743 1 897 . 1 . 1 194 194 ASN N N 15 122.608 0.041 . 1 . . . . . 194 Asn N . 50743 1 898 . 1 . 1 195 195 ALA H H 1 8.252 0.001 . 1 . . . . . 195 Ala H . 50743 1 899 . 1 . 1 195 195 ALA C C 13 174.691 0.000 . 1 . . . . . 195 Ala C . 50743 1 900 . 1 . 1 195 195 ALA CA C 13 52.925 0.019 . 1 . . . . . 195 Ala CA . 50743 1 901 . 1 . 1 195 195 ALA CB C 13 19.173 0.049 . 1 . . . . . 195 Ala CB . 50743 1 902 . 1 . 1 195 195 ALA N N 15 124.851 0.016 . 1 . . . . . 195 Ala N . 50743 1 903 . 1 . 1 196 196 CYS H H 1 8.344 0.001 . 1 . . . . . 196 Cys H . 50743 1 904 . 1 . 1 196 196 CYS CA C 13 53.420 0.249 . 1 . . . . . 196 Cys CA . 50743 1 905 . 1 . 1 196 196 CYS CB C 13 38.794 0.000 . 1 . . . . . 196 Cys CB . 50743 1 906 . 1 . 1 196 196 CYS N N 15 117.656 0.010 . 1 . . . . . 196 Cys N . 50743 1 907 . 1 . 1 197 197 ALA C C 13 175.163 0.000 . 1 . . . . . 197 Ala C . 50743 1 908 . 1 . 1 197 197 ALA CA C 13 52.304 0.068 . 1 . . . . . 197 Ala CA . 50743 1 909 . 1 . 1 197 197 ALA CB C 13 19.184 0.031 . 1 . . . . . 197 Ala CB . 50743 1 910 . 1 . 1 198 198 ASN H H 1 8.373 0.002 . 1 . . . . . 198 Asn H . 50743 1 911 . 1 . 1 198 198 ASN C C 13 172.734 0.000 . 1 . . . . . 198 Asn C . 50743 1 912 . 1 . 1 198 198 ASN CA C 13 53.271 0.044 . 1 . . . . . 198 Asn CA . 50743 1 913 . 1 . 1 198 198 ASN CB C 13 38.803 0.027 . 1 . . . . . 198 Asn CB . 50743 1 914 . 1 . 1 198 198 ASN N N 15 119.803 0.031 . 1 . . . . . 198 Asn N . 50743 1 915 . 1 . 1 199 199 SER H H 1 8.286 0.006 . 1 . . . . . 199 Ser H . 50743 1 916 . 1 . 1 199 199 SER C C 13 172.316 0.000 . 1 . . . . . 199 Ser C . 50743 1 917 . 1 . 1 199 199 SER CA C 13 58.623 0.064 . 1 . . . . . 199 Ser CA . 50743 1 918 . 1 . 1 199 199 SER CB C 13 63.779 0.094 . 1 . . . . . 199 Ser CB . 50743 1 919 . 1 . 1 199 199 SER N N 15 116.218 0.030 . 1 . . . . . 199 Ser N . 50743 1 920 . 1 . 1 200 200 THR H H 1 8.202 0.004 . 1 . . . . . 200 Thr H . 50743 1 921 . 1 . 1 200 200 THR CA C 13 62.206 0.044 . 1 . . . . . 200 Thr CA . 50743 1 922 . 1 . 1 200 200 THR CB C 13 69.621 0.003 . 1 . . . . . 200 Thr CB . 50743 1 923 . 1 . 1 200 200 THR N N 15 115.189 0.002 . 1 . . . . . 200 Thr N . 50743 1 924 . 1 . 1 201 201 GLY H H 1 8.347 0.002 . 1 . . . . . 201 Gly H . 50743 1 925 . 1 . 1 201 201 GLY C C 13 171.515 0.000 . 1 . . . . . 201 Gly C . 50743 1 926 . 1 . 1 201 201 GLY CA C 13 45.373 0.105 . 1 . . . . . 201 Gly CA . 50743 1 927 . 1 . 1 201 201 GLY N N 15 110.951 0.103 . 1 . . . . . 201 Gly N . 50743 1 928 . 1 . 1 202 202 THR H H 1 8.044 0.003 . 1 . . . . . 202 Thr H . 50743 1 929 . 1 . 1 202 202 THR C C 13 171.778 0.000 . 1 . . . . . 202 Thr C . 50743 1 930 . 1 . 1 202 202 THR CA C 13 62.071 0.089 . 1 . . . . . 202 Thr CA . 50743 1 931 . 1 . 1 202 202 THR CB C 13 69.868 0.005 . 1 . . . . . 202 Thr CB . 50743 1 932 . 1 . 1 202 202 THR N N 15 114.373 0.010 . 1 . . . . . 202 Thr N . 50743 1 933 . 1 . 1 203 203 VAL H H 1 8.173 0.004 . 1 . . . . . 203 Val H . 50743 1 934 . 1 . 1 203 203 VAL CA C 13 62.926 0.000 . 1 . . . . . 203 Val CA . 50743 1 935 . 1 . 1 203 203 VAL CB C 13 32.497 0.000 . 1 . . . . . 203 Val CB . 50743 1 936 . 1 . 1 203 203 VAL N N 15 123.423 0.004 . 1 . . . . . 203 Val N . 50743 1 937 . 1 . 1 204 204 LYS C C 13 173.557 0.000 . 1 . . . . . 204 Lys C . 50743 1 938 . 1 . 1 204 204 LYS CA C 13 56.065 0.009 . 1 . . . . . 204 Lys CA . 50743 1 939 . 1 . 1 204 204 LYS CB C 13 32.976 0.010 . 1 . . . . . 204 Lys CB . 50743 1 940 . 1 . 1 205 205 LYS H H 1 8.410 0.002 . 1 . . . . . 205 Lys H . 50743 1 941 . 1 . 1 205 205 LYS C C 13 173.505 0.000 . 1 . . . . . 205 Lys C . 50743 1 942 . 1 . 1 205 205 LYS CA C 13 56.318 0.045 . 1 . . . . . 205 Lys CA . 50743 1 943 . 1 . 1 205 205 LYS CB C 13 33.227 0.110 . 1 . . . . . 205 Lys CB . 50743 1 944 . 1 . 1 205 205 LYS N N 15 123.907 0.033 . 1 . . . . . 205 Lys N . 50743 1 945 . 1 . 1 206 206 ASN H H 1 8.495 0.001 . 1 . . . . . 206 Asn H . 50743 1 946 . 1 . 1 206 206 ASN C C 13 172.058 0.000 . 1 . . . . . 206 Asn C . 50743 1 947 . 1 . 1 206 206 ASN CA C 13 49.722 6.182 . 1 . . . . . 206 Asn CA . 50743 1 948 . 1 . 1 206 206 ASN CB C 13 38.837 0.000 . 1 . . . . . 206 Asn CB . 50743 1 949 . 1 . 1 206 206 ASN N N 15 120.188 0.015 . 1 . . . . . 206 Asn N . 50743 1 950 . 1 . 1 207 207 ASP H H 1 8.327 0.002 . 1 . . . . . 207 Asp H . 50743 1 951 . 1 . 1 207 207 ASP C C 13 173.290 0.000 . 1 . . . . . 207 Asp C . 50743 1 952 . 1 . 1 207 207 ASP CA C 13 54.466 0.014 . 1 . . . . . 207 Asp CA . 50743 1 953 . 1 . 1 207 207 ASP CB C 13 41.175 0.025 . 1 . . . . . 207 Asp CB . 50743 1 954 . 1 . 1 207 207 ASP N N 15 120.860 0.006 . 1 . . . . . 207 Asp N . 50743 1 955 . 1 . 1 208 208 VAL H H 1 8.024 0.001 . 1 . . . . . 208 Val H . 50743 1 956 . 1 . 1 208 208 VAL C C 13 172.747 0.000 . 1 . . . . . 208 Val C . 50743 1 957 . 1 . 1 208 208 VAL CA C 13 62.142 0.024 . 1 . . . . . 208 Val CA . 50743 1 958 . 1 . 1 208 208 VAL CB C 13 32.858 0.061 . 1 . . . . . 208 Val CB . 50743 1 959 . 1 . 1 208 208 VAL N N 15 119.340 0.018 . 1 . . . . . 208 Val N . 50743 1 960 . 1 . 1 209 209 SER H H 1 7.963 0.002 . 1 . . . . . 209 Ser H . 50743 1 961 . 1 . 1 209 209 SER CA C 13 60.095 0.000 . 1 . . . . . 209 Ser CA . 50743 1 962 . 1 . 1 209 209 SER CB C 13 64.801 0.000 . 1 . . . . . 209 Ser CB . 50743 1 963 . 1 . 1 209 209 SER N N 15 124.931 0.018 . 1 . . . . . 209 Ser N . 50743 1 stop_ save_