data_27563 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27563 _Entry.Title ; 14-3-3 Sigma Backbone Assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-26 _Entry.Accession_date 2018-07-26 _Entry.Last_release_date 2018-07-26 _Entry.Original_release_date 2018-07-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Joao Neves . Filipe . . 27563 2 Hamida Merzougui . . . . 27563 3 Emmanuelle Boll . . . . 27563 4 Xavier Hanoulle . . . . 27563 5 Isabelle Landrieu . . . . 27563 6 Francois-Xavier Cantrelle . . . . 27563 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CNRS UMR8576 - NMR and Molecular Interactions team' . 27563 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27563 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 563 27563 '15N chemical shifts' 177 27563 '1H chemical shifts' 177 27563 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 . . 2019-04-11 2018-07-26 update BMRB 'update entry citation' 27563 1 . . 2018-11-15 2018-07-26 original author 'original release' 27563 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27563 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30377945 _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignments of human 14-3-3sigma. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 103 _Citation.Page_last 107 _Citation.Year 2019 _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 'Joao Filipe' Neves J. F. . . 27563 1 2 Isabelle Landrieu I. . . . 27563 1 3 Hamida Merzougui H. . . . 27563 1 4 Emmanuelle Boll E. . . . 27563 1 5 Xavier Hanoulle X. . . . 27563 1 6 Francois-Xavier Cantrelle F. X. . . 27563 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 14-3-3 27563 1 'Protein-Protein Interactions' 27563 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27563 _Assembly.ID 1 _Assembly.Name '14-3-3 Sigma dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 '14-3-3_Sigma, chain 1' 1 $14-3-3_Sigma A . yes native no no . . . 27563 1 2 '14-3-3_Sigma, chain 2' 1 $14-3-3_Sigma B . yes native no no . . . 27563 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1yz5 . . X-ray 2.8 'Structure of the same protein' 'The crystal structure of 14-3-3-sigma at 2.8 angstrom resolution' 27563 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Adapter Protein' 27563 1 'Protein-Protein Interactions' 27563 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_14-3-3_Sigma _Entity.Sf_category entity _Entity.Sf_framecode 14-3-3_Sigma _Entity.Entry_ID 27563 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 14-3-3_Sigma _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 ; GAMGSMERASLIQKAKLAEQ AERYEDMAAFMKGAVEKGEE LSCEERNLLSVAYKNVVGGQ RAAWRVLSSIEQKSNEEGSE EKGPEVREYREKVETELQGV CDTVLGLLDSHLIKEAGDAE SRVFYLKMKGDYYRYLAEVA TGDDKKRIIDSARSAYQEAM DISKKEMPPTNPIRLGLALN FSVFHYEIANSPEEAISLAK TTFDEAMADLHTLSEDSYKD STLIMQLLRDNLTLWT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 'GAMGS' represent a linker between the cleaved tag and the protein. Therefore M6 corresponds to M1. ; _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 236 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Adapter Protein' 27563 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 27563 1 2 -3 ALA . 27563 1 3 -2 MET . 27563 1 4 -1 GLY . 27563 1 5 0 SER . 27563 1 6 1 MET . 27563 1 7 2 GLU . 27563 1 8 3 ARG . 27563 1 9 4 ALA . 27563 1 10 5 SER . 27563 1 11 6 LEU . 27563 1 12 7 ILE . 27563 1 13 8 GLN . 27563 1 14 9 LYS . 27563 1 15 10 ALA . 27563 1 16 11 LYS . 27563 1 17 12 LEU . 27563 1 18 13 ALA . 27563 1 19 14 GLU . 27563 1 20 15 GLN . 27563 1 21 16 ALA . 27563 1 22 17 GLU . 27563 1 23 18 ARG . 27563 1 24 19 TYR . 27563 1 25 20 GLU . 27563 1 26 21 ASP . 27563 1 27 22 MET . 27563 1 28 23 ALA . 27563 1 29 24 ALA . 27563 1 30 25 PHE . 27563 1 31 26 MET . 27563 1 32 27 LYS . 27563 1 33 28 GLY . 27563 1 34 29 ALA . 27563 1 35 30 VAL . 27563 1 36 31 GLU . 27563 1 37 32 LYS . 27563 1 38 33 GLY . 27563 1 39 34 GLU . 27563 1 40 35 GLU . 27563 1 41 36 LEU . 27563 1 42 37 SER . 27563 1 43 38 CYS . 27563 1 44 39 GLU . 27563 1 45 40 GLU . 27563 1 46 41 ARG . 27563 1 47 42 ASN . 27563 1 48 43 LEU . 27563 1 49 44 LEU . 27563 1 50 45 SER . 27563 1 51 46 VAL . 27563 1 52 47 ALA . 27563 1 53 48 TYR . 27563 1 54 49 LYS . 27563 1 55 50 ASN . 27563 1 56 51 VAL . 27563 1 57 52 VAL . 27563 1 58 53 GLY . 27563 1 59 54 GLY . 27563 1 60 55 GLN . 27563 1 61 56 ARG . 27563 1 62 57 ALA . 27563 1 63 58 ALA . 27563 1 64 59 TRP . 27563 1 65 60 ARG . 27563 1 66 61 VAL . 27563 1 67 62 LEU . 27563 1 68 63 SER . 27563 1 69 64 SER . 27563 1 70 65 ILE . 27563 1 71 66 GLU . 27563 1 72 67 GLN . 27563 1 73 68 LYS . 27563 1 74 69 SER . 27563 1 75 70 ASN . 27563 1 76 71 GLU . 27563 1 77 72 GLU . 27563 1 78 73 GLY . 27563 1 79 74 SER . 27563 1 80 75 GLU . 27563 1 81 76 GLU . 27563 1 82 77 LYS . 27563 1 83 78 GLY . 27563 1 84 79 PRO . 27563 1 85 80 GLU . 27563 1 86 81 VAL . 27563 1 87 82 ARG . 27563 1 88 83 GLU . 27563 1 89 84 TYR . 27563 1 90 85 ARG . 27563 1 91 86 GLU . 27563 1 92 87 LYS . 27563 1 93 88 VAL . 27563 1 94 89 GLU . 27563 1 95 90 THR . 27563 1 96 91 GLU . 27563 1 97 92 LEU . 27563 1 98 93 GLN . 27563 1 99 94 GLY . 27563 1 100 95 VAL . 27563 1 101 96 CYS . 27563 1 102 97 ASP . 27563 1 103 98 THR . 27563 1 104 99 VAL . 27563 1 105 100 LEU . 27563 1 106 101 GLY . 27563 1 107 102 LEU . 27563 1 108 103 LEU . 27563 1 109 104 ASP . 27563 1 110 105 SER . 27563 1 111 106 HIS . 27563 1 112 107 LEU . 27563 1 113 108 ILE . 27563 1 114 109 LYS . 27563 1 115 110 GLU . 27563 1 116 111 ALA . 27563 1 117 112 GLY . 27563 1 118 113 ASP . 27563 1 119 114 ALA . 27563 1 120 115 GLU . 27563 1 121 116 SER . 27563 1 122 117 ARG . 27563 1 123 118 VAL . 27563 1 124 119 PHE . 27563 1 125 120 TYR . 27563 1 126 121 LEU . 27563 1 127 122 LYS . 27563 1 128 123 MET . 27563 1 129 124 LYS . 27563 1 130 125 GLY . 27563 1 131 126 ASP . 27563 1 132 127 TYR . 27563 1 133 128 TYR . 27563 1 134 129 ARG . 27563 1 135 130 TYR . 27563 1 136 131 LEU . 27563 1 137 132 ALA . 27563 1 138 133 GLU . 27563 1 139 134 VAL . 27563 1 140 135 ALA . 27563 1 141 136 THR . 27563 1 142 137 GLY . 27563 1 143 138 ASP . 27563 1 144 139 ASP . 27563 1 145 140 LYS . 27563 1 146 141 LYS . 27563 1 147 142 ARG . 27563 1 148 143 ILE . 27563 1 149 144 ILE . 27563 1 150 145 ASP . 27563 1 151 146 SER . 27563 1 152 147 ALA . 27563 1 153 148 ARG . 27563 1 154 149 SER . 27563 1 155 150 ALA . 27563 1 156 151 TYR . 27563 1 157 152 GLN . 27563 1 158 153 GLU . 27563 1 159 154 ALA . 27563 1 160 155 MET . 27563 1 161 156 ASP . 27563 1 162 157 ILE . 27563 1 163 158 SER . 27563 1 164 159 LYS . 27563 1 165 160 LYS . 27563 1 166 161 GLU . 27563 1 167 162 MET . 27563 1 168 163 PRO . 27563 1 169 164 PRO . 27563 1 170 165 THR . 27563 1 171 166 ASN . 27563 1 172 167 PRO . 27563 1 173 168 ILE . 27563 1 174 169 ARG . 27563 1 175 170 LEU . 27563 1 176 171 GLY . 27563 1 177 172 LEU . 27563 1 178 173 ALA . 27563 1 179 174 LEU . 27563 1 180 175 ASN . 27563 1 181 176 PHE . 27563 1 182 177 SER . 27563 1 183 178 VAL . 27563 1 184 179 PHE . 27563 1 185 180 HIS . 27563 1 186 181 TYR . 27563 1 187 182 GLU . 27563 1 188 183 ILE . 27563 1 189 184 ALA . 27563 1 190 185 ASN . 27563 1 191 186 SER . 27563 1 192 187 PRO . 27563 1 193 188 GLU . 27563 1 194 189 GLU . 27563 1 195 190 ALA . 27563 1 196 191 ILE . 27563 1 197 192 SER . 27563 1 198 193 LEU . 27563 1 199 194 ALA . 27563 1 200 195 LYS . 27563 1 201 196 THR . 27563 1 202 197 THR . 27563 1 203 198 PHE . 27563 1 204 199 ASP . 27563 1 205 200 GLU . 27563 1 206 201 ALA . 27563 1 207 202 MET . 27563 1 208 203 ALA . 27563 1 209 204 ASP . 27563 1 210 205 LEU . 27563 1 211 206 HIS . 27563 1 212 207 THR . 27563 1 213 208 LEU . 27563 1 214 209 SER . 27563 1 215 210 GLU . 27563 1 216 211 ASP . 27563 1 217 212 SER . 27563 1 218 213 TYR . 27563 1 219 214 LYS . 27563 1 220 215 ASP . 27563 1 221 216 SER . 27563 1 222 217 THR . 27563 1 223 218 LEU . 27563 1 224 219 ILE . 27563 1 225 220 MET . 27563 1 226 221 GLN . 27563 1 227 222 LEU . 27563 1 228 223 LEU . 27563 1 229 224 ARG . 27563 1 230 225 ASP . 27563 1 231 226 ASN . 27563 1 232 227 LEU . 27563 1 233 228 THR . 27563 1 234 229 LEU . 27563 1 235 230 TRP . 27563 1 236 231 THR . 27563 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27563 1 . ALA 2 2 27563 1 . MET 3 3 27563 1 . GLY 4 4 27563 1 . SER 5 5 27563 1 . MET 6 6 27563 1 . GLU 7 7 27563 1 . ARG 8 8 27563 1 . ALA 9 9 27563 1 . SER 10 10 27563 1 . LEU 11 11 27563 1 . ILE 12 12 27563 1 . GLN 13 13 27563 1 . LYS 14 14 27563 1 . ALA 15 15 27563 1 . LYS 16 16 27563 1 . LEU 17 17 27563 1 . ALA 18 18 27563 1 . GLU 19 19 27563 1 . GLN 20 20 27563 1 . ALA 21 21 27563 1 . GLU 22 22 27563 1 . ARG 23 23 27563 1 . TYR 24 24 27563 1 . GLU 25 25 27563 1 . ASP 26 26 27563 1 . MET 27 27 27563 1 . ALA 28 28 27563 1 . ALA 29 29 27563 1 . PHE 30 30 27563 1 . MET 31 31 27563 1 . LYS 32 32 27563 1 . GLY 33 33 27563 1 . ALA 34 34 27563 1 . VAL 35 35 27563 1 . GLU 36 36 27563 1 . LYS 37 37 27563 1 . GLY 38 38 27563 1 . GLU 39 39 27563 1 . GLU 40 40 27563 1 . LEU 41 41 27563 1 . SER 42 42 27563 1 . CYS 43 43 27563 1 . GLU 44 44 27563 1 . GLU 45 45 27563 1 . ARG 46 46 27563 1 . ASN 47 47 27563 1 . LEU 48 48 27563 1 . LEU 49 49 27563 1 . SER 50 50 27563 1 . VAL 51 51 27563 1 . ALA 52 52 27563 1 . TYR 53 53 27563 1 . LYS 54 54 27563 1 . ASN 55 55 27563 1 . VAL 56 56 27563 1 . VAL 57 57 27563 1 . GLY 58 58 27563 1 . GLY 59 59 27563 1 . GLN 60 60 27563 1 . ARG 61 61 27563 1 . ALA 62 62 27563 1 . ALA 63 63 27563 1 . TRP 64 64 27563 1 . ARG 65 65 27563 1 . VAL 66 66 27563 1 . LEU 67 67 27563 1 . SER 68 68 27563 1 . SER 69 69 27563 1 . ILE 70 70 27563 1 . GLU 71 71 27563 1 . GLN 72 72 27563 1 . LYS 73 73 27563 1 . SER 74 74 27563 1 . ASN 75 75 27563 1 . GLU 76 76 27563 1 . GLU 77 77 27563 1 . GLY 78 78 27563 1 . SER 79 79 27563 1 . GLU 80 80 27563 1 . GLU 81 81 27563 1 . LYS 82 82 27563 1 . GLY 83 83 27563 1 . PRO 84 84 27563 1 . GLU 85 85 27563 1 . VAL 86 86 27563 1 . ARG 87 87 27563 1 . GLU 88 88 27563 1 . TYR 89 89 27563 1 . ARG 90 90 27563 1 . GLU 91 91 27563 1 . LYS 92 92 27563 1 . VAL 93 93 27563 1 . GLU 94 94 27563 1 . THR 95 95 27563 1 . GLU 96 96 27563 1 . LEU 97 97 27563 1 . GLN 98 98 27563 1 . GLY 99 99 27563 1 . VAL 100 100 27563 1 . CYS 101 101 27563 1 . ASP 102 102 27563 1 . THR 103 103 27563 1 . VAL 104 104 27563 1 . LEU 105 105 27563 1 . GLY 106 106 27563 1 . LEU 107 107 27563 1 . LEU 108 108 27563 1 . ASP 109 109 27563 1 . SER 110 110 27563 1 . HIS 111 111 27563 1 . LEU 112 112 27563 1 . ILE 113 113 27563 1 . LYS 114 114 27563 1 . GLU 115 115 27563 1 . ALA 116 116 27563 1 . GLY 117 117 27563 1 . ASP 118 118 27563 1 . ALA 119 119 27563 1 . GLU 120 120 27563 1 . SER 121 121 27563 1 . ARG 122 122 27563 1 . VAL 123 123 27563 1 . PHE 124 124 27563 1 . TYR 125 125 27563 1 . LEU 126 126 27563 1 . LYS 127 127 27563 1 . MET 128 128 27563 1 . LYS 129 129 27563 1 . GLY 130 130 27563 1 . ASP 131 131 27563 1 . TYR 132 132 27563 1 . TYR 133 133 27563 1 . ARG 134 134 27563 1 . TYR 135 135 27563 1 . LEU 136 136 27563 1 . ALA 137 137 27563 1 . GLU 138 138 27563 1 . VAL 139 139 27563 1 . ALA 140 140 27563 1 . THR 141 141 27563 1 . GLY 142 142 27563 1 . ASP 143 143 27563 1 . ASP 144 144 27563 1 . LYS 145 145 27563 1 . LYS 146 146 27563 1 . ARG 147 147 27563 1 . ILE 148 148 27563 1 . ILE 149 149 27563 1 . ASP 150 150 27563 1 . SER 151 151 27563 1 . ALA 152 152 27563 1 . ARG 153 153 27563 1 . SER 154 154 27563 1 . ALA 155 155 27563 1 . TYR 156 156 27563 1 . GLN 157 157 27563 1 . GLU 158 158 27563 1 . ALA 159 159 27563 1 . MET 160 160 27563 1 . ASP 161 161 27563 1 . ILE 162 162 27563 1 . SER 163 163 27563 1 . LYS 164 164 27563 1 . LYS 165 165 27563 1 . GLU 166 166 27563 1 . MET 167 167 27563 1 . PRO 168 168 27563 1 . PRO 169 169 27563 1 . THR 170 170 27563 1 . ASN 171 171 27563 1 . PRO 172 172 27563 1 . ILE 173 173 27563 1 . ARG 174 174 27563 1 . LEU 175 175 27563 1 . GLY 176 176 27563 1 . LEU 177 177 27563 1 . ALA 178 178 27563 1 . LEU 179 179 27563 1 . ASN 180 180 27563 1 . PHE 181 181 27563 1 . SER 182 182 27563 1 . VAL 183 183 27563 1 . PHE 184 184 27563 1 . HIS 185 185 27563 1 . TYR 186 186 27563 1 . GLU 187 187 27563 1 . ILE 188 188 27563 1 . ALA 189 189 27563 1 . ASN 190 190 27563 1 . SER 191 191 27563 1 . PRO 192 192 27563 1 . GLU 193 193 27563 1 . GLU 194 194 27563 1 . ALA 195 195 27563 1 . ILE 196 196 27563 1 . SER 197 197 27563 1 . LEU 198 198 27563 1 . ALA 199 199 27563 1 . LYS 200 200 27563 1 . THR 201 201 27563 1 . THR 202 202 27563 1 . PHE 203 203 27563 1 . ASP 204 204 27563 1 . GLU 205 205 27563 1 . ALA 206 206 27563 1 . MET 207 207 27563 1 . ALA 208 208 27563 1 . ASP 209 209 27563 1 . LEU 210 210 27563 1 . HIS 211 211 27563 1 . THR 212 212 27563 1 . LEU 213 213 27563 1 . SER 214 214 27563 1 . GLU 215 215 27563 1 . ASP 216 216 27563 1 . SER 217 217 27563 1 . TYR 218 218 27563 1 . LYS 219 219 27563 1 . ASP 220 220 27563 1 . SER 221 221 27563 1 . THR 222 222 27563 1 . LEU 223 223 27563 1 . ILE 224 224 27563 1 . MET 225 225 27563 1 . GLN 226 226 27563 1 . LEU 227 227 27563 1 . LEU 228 228 27563 1 . ARG 229 229 27563 1 . ASP 230 230 27563 1 . ASN 231 231 27563 1 . LEU 232 232 27563 1 . THR 233 233 27563 1 . LEU 234 234 27563 1 . TRP 235 235 27563 1 . THR 236 236 27563 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27563 _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 $14-3-3_Sigma . . organism . 'Homo sapiens' . . . . . Homo sapiens . . . . . . . . . . . . . 27563 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27563 _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 $14-3-3_Sigma . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pProExHtb . . . 27563 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27563 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '14-3-3 Sigma' '[U-13C; U-15N; U-2H]' . . 1 $14-3-3_Sigma . . 0.9 0.8 1 mM . . . . 27563 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 27563 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27563 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27563 1 5 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 27563 1 6 D2O [U-2H] . . . . . . 10 . . '% v/v' . . . . 27563 1 7 TMSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 27563 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 27563 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 27563 1 pH 6.8 . pH 27563 1 pressure 1 . atm 27563 1 temperature 305 . K 27563 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27563 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27563 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27563 1 processing 27563 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27563 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27563 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27563 2 'chemical shift calculation' 27563 2 'data analysis' 27563 2 'peak picking' 27563 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27563 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27563 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27563 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27563 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27563 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27563 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27563 1 4 '3D 1H-15N NOESY HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27563 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27563 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27563 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMSPA 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 27563 1 H 1 TMSPA 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27563 1 N 15 TMSPA 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 27563 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27563 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.800 _Assigned_chem_shift_list.Chem_shift_15N_err 0.440 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC' . . . 27563 1 2 '3D HNCACB' . . . 27563 1 3 '3D CBCA(CO)NH' . . . 27563 1 4 '3D 1H-15N NOESY HMQC' . . . 27563 1 5 '3D HNCO' . . . 27563 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27563 1 2 $SPARKY . . 27563 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 6 6 MET H H 1 8.384 0.007 . 1 . . . . . 1 MET H . 27563 1 2 . 1 1 6 6 MET C C 13 177.303 0.800 . 1 . . . . . 1 MET C . 27563 1 3 . 1 1 6 6 MET CA C 13 55.963 0.800 . 1 . . . . . 1 MET CA . 27563 1 4 . 1 1 6 6 MET CB C 13 31.979 0.800 . 1 . . . . . 1 MET CB . 27563 1 5 . 1 1 6 6 MET N N 15 123.556 0.440 . 1 . . . . . 1 MET N . 27563 1 6 . 1 1 7 7 GLU H H 1 8.389 0.007 . 1 . . . . . 2 GLU H . 27563 1 7 . 1 1 7 7 GLU CA C 13 57.718 0.800 . 1 . . . . . 2 GLU CA . 27563 1 8 . 1 1 7 7 GLU CB C 13 28.902 0.800 . 1 . . . . . 2 GLU CB . 27563 1 9 . 1 1 7 7 GLU N N 15 121.029 0.440 . 1 . . . . . 2 GLU N . 27563 1 10 . 1 1 9 9 ALA C C 13 181.025 0.800 . 1 . . . . . 4 ALA C . 27563 1 11 . 1 1 9 9 ALA CA C 13 54.805 0.800 . 1 . . . . . 4 ALA CA . 27563 1 12 . 1 1 9 9 ALA CB C 13 17.237 0.800 . 1 . . . . . 4 ALA CB . 27563 1 13 . 1 1 10 10 SER H H 1 7.589 0.007 . 1 . . . . . 5 SER H . 27563 1 14 . 1 1 10 10 SER C C 13 176.247 0.800 . 1 . . . . . 5 SER C . 27563 1 15 . 1 1 10 10 SER CA C 13 61.353 0.800 . 1 . . . . . 5 SER CA . 27563 1 16 . 1 1 10 10 SER CB C 13 62.613 0.800 . 1 . . . . . 5 SER CB . 27563 1 17 . 1 1 10 10 SER N N 15 114.825 0.440 . 1 . . . . . 5 SER N . 27563 1 18 . 1 1 11 11 LEU H H 1 7.615 0.007 . 1 . . . . . 6 LEU H . 27563 1 19 . 1 1 11 11 LEU C C 13 178.715 0.800 . 1 . . . . . 6 LEU C . 27563 1 20 . 1 1 11 11 LEU CA C 13 57.912 0.800 . 1 . . . . . 6 LEU CA . 27563 1 21 . 1 1 11 11 LEU CB C 13 40.338 0.800 . 1 . . . . . 6 LEU CB . 27563 1 22 . 1 1 11 11 LEU N N 15 121.995 0.440 . 1 . . . . . 6 LEU N . 27563 1 23 . 1 1 12 12 ILE H H 1 7.664 0.007 . 1 . . . . . 7 ILE H . 27563 1 24 . 1 1 12 12 ILE C C 13 178.163 0.800 . 1 . . . . . 7 ILE C . 27563 1 25 . 1 1 12 12 ILE CA C 13 62.125 0.800 . 1 . . . . . 7 ILE CA . 27563 1 26 . 1 1 12 12 ILE CB C 13 34.729 0.800 . 1 . . . . . 7 ILE CB . 27563 1 27 . 1 1 12 12 ILE N N 15 118.193 0.440 . 1 . . . . . 7 ILE N . 27563 1 28 . 1 1 13 13 GLN H H 1 7.827 0.007 . 1 . . . . . 8 GLN H . 27563 1 29 . 1 1 13 13 GLN CA C 13 58.270 0.800 . 1 . . . . . 8 GLN CA . 27563 1 30 . 1 1 13 13 GLN CB C 13 27.450 0.800 . 1 . . . . . 8 GLN CB . 27563 1 31 . 1 1 13 13 GLN N N 15 118.233 0.440 . 1 . . . . . 8 GLN N . 27563 1 32 . 1 1 20 20 GLN C C 13 177.908 0.800 . 1 . . . . . 15 GLN C . 27563 1 33 . 1 1 20 20 GLN CA C 13 58.652 0.800 . 1 . . . . . 15 GLN CA . 27563 1 34 . 1 1 20 20 GLN CB C 13 27.991 0.800 . 1 . . . . . 15 GLN CB . 27563 1 35 . 1 1 21 21 ALA H H 1 7.898 0.007 . 1 . . . . . 16 ALA H . 27563 1 36 . 1 1 21 21 ALA C C 13 174.286 0.800 . 1 . . . . . 16 ALA C . 27563 1 37 . 1 1 21 21 ALA CA C 13 51.323 0.800 . 1 . . . . . 16 ALA CA . 27563 1 38 . 1 1 21 21 ALA CB C 13 17.396 0.800 . 1 . . . . . 16 ALA CB . 27563 1 39 . 1 1 21 21 ALA N N 15 118.673 0.440 . 1 . . . . . 16 ALA N . 27563 1 40 . 1 1 22 22 GLU H H 1 7.644 0.007 . 1 . . . . . 17 GLU H . 27563 1 41 . 1 1 22 22 GLU C C 13 174.894 0.800 . 1 . . . . . 17 GLU C . 27563 1 42 . 1 1 22 22 GLU CA C 13 56.973 0.800 . 1 . . . . . 17 GLU CA . 27563 1 43 . 1 1 22 22 GLU CB C 13 26.018 0.800 . 1 . . . . . 17 GLU CB . 27563 1 44 . 1 1 22 22 GLU N N 15 115.490 0.440 . 1 . . . . . 17 GLU N . 27563 1 45 . 1 1 23 23 ARG H H 1 8.115 0.007 . 1 . . . . . 18 ARG H . 27563 1 46 . 1 1 23 23 ARG C C 13 177.385 0.800 . 1 . . . . . 18 ARG C . 27563 1 47 . 1 1 23 23 ARG CA C 13 52.360 0.800 . 1 . . . . . 18 ARG CA . 27563 1 48 . 1 1 23 23 ARG CB C 13 27.465 0.800 . 1 . . . . . 18 ARG CB . 27563 1 49 . 1 1 23 23 ARG N N 15 121.050 0.440 . 1 . . . . . 18 ARG N . 27563 1 50 . 1 1 24 24 TYR H H 1 7.395 0.007 . 1 . . . . . 19 TYR H . 27563 1 51 . 1 1 24 24 TYR C C 13 176.936 0.800 . 1 . . . . . 19 TYR C . 27563 1 52 . 1 1 24 24 TYR CA C 13 62.570 0.800 . 1 . . . . . 19 TYR CA . 27563 1 53 . 1 1 24 24 TYR CB C 13 36.239 0.800 . 1 . . . . . 19 TYR CB . 27563 1 54 . 1 1 24 24 TYR N N 15 120.118 0.440 . 1 . . . . . 19 TYR N . 27563 1 55 . 1 1 25 25 GLU H H 1 8.599 0.007 . 1 . . . . . 20 GLU H . 27563 1 56 . 1 1 25 25 GLU CA C 13 60.312 0.800 . 1 . . . . . 20 GLU CA . 27563 1 57 . 1 1 25 25 GLU CB C 13 27.401 0.800 . 1 . . . . . 20 GLU CB . 27563 1 58 . 1 1 25 25 GLU N N 15 120.277 0.440 . 1 . . . . . 20 GLU N . 27563 1 59 . 1 1 27 27 MET C C 13 177.223 0.800 . 1 . . . . . 22 MET C . 27563 1 60 . 1 1 27 27 MET CA C 13 59.694 0.800 . 1 . . . . . 22 MET CA . 27563 1 61 . 1 1 28 28 ALA H H 1 8.304 0.007 . 1 . . . . . 23 ALA H . 27563 1 62 . 1 1 28 28 ALA C C 13 177.947 0.800 . 1 . . . . . 23 ALA C . 27563 1 63 . 1 1 28 28 ALA CA C 13 54.702 0.800 . 1 . . . . . 23 ALA CA . 27563 1 64 . 1 1 28 28 ALA CB C 13 15.216 0.800 . 1 . . . . . 23 ALA CB . 27563 1 65 . 1 1 28 28 ALA N N 15 120.825 0.440 . 1 . . . . . 23 ALA N . 27563 1 66 . 1 1 29 29 ALA H H 1 7.368 0.007 . 1 . . . . . 24 ALA H . 27563 1 67 . 1 1 29 29 ALA CA C 13 54.886 0.800 . 1 . . . . . 24 ALA CA . 27563 1 68 . 1 1 29 29 ALA CB C 13 17.037 0.800 . 1 . . . . . 24 ALA CB . 27563 1 69 . 1 1 29 29 ALA N N 15 121.037 0.440 . 1 . . . . . 24 ALA N . 27563 1 70 . 1 1 30 30 PHE C C 13 174.384 0.800 . 1 . . . . . 25 PHE C . 27563 1 71 . 1 1 30 30 PHE CA C 13 58.755 0.800 . 1 . . . . . 25 PHE CA . 27563 1 72 . 1 1 30 30 PHE CB C 13 37.388 0.800 . 1 . . . . . 25 PHE CB . 27563 1 73 . 1 1 31 31 MET H H 1 8.112 0.007 . 1 . . . . . 26 MET H . 27563 1 74 . 1 1 31 31 MET C C 13 179.129 0.800 . 1 . . . . . 26 MET C . 27563 1 75 . 1 1 31 31 MET CA C 13 54.560 0.800 . 1 . . . . . 26 MET CA . 27563 1 76 . 1 1 31 31 MET CB C 13 27.532 0.800 . 1 . . . . . 26 MET CB . 27563 1 77 . 1 1 31 31 MET N N 15 115.858 0.440 . 1 . . . . . 26 MET N . 27563 1 78 . 1 1 32 32 LYS H H 1 8.981 0.007 . 1 . . . . . 27 LYS H . 27563 1 79 . 1 1 32 32 LYS C C 13 178.371 0.800 . 1 . . . . . 27 LYS C . 27563 1 80 . 1 1 32 32 LYS CA C 13 60.026 0.800 . 1 . . . . . 27 LYS CA . 27563 1 81 . 1 1 32 32 LYS CB C 13 30.949 0.800 . 1 . . . . . 27 LYS CB . 27563 1 82 . 1 1 32 32 LYS N N 15 123.577 0.440 . 1 . . . . . 27 LYS N . 27563 1 83 . 1 1 33 33 GLY H H 1 7.803 0.007 . 1 . . . . . 28 GLY H . 27563 1 84 . 1 1 33 33 GLY C C 13 176.704 0.800 . 1 . . . . . 28 GLY C . 27563 1 85 . 1 1 33 33 GLY CA C 13 46.689 0.800 . 1 . . . . . 28 GLY CA . 27563 1 86 . 1 1 33 33 GLY N N 15 103.864 0.440 . 1 . . . . . 28 GLY N . 27563 1 87 . 1 1 34 34 ALA H H 1 8.308 0.007 . 1 . . . . . 29 ALA H . 27563 1 88 . 1 1 34 34 ALA C C 13 181.177 0.800 . 1 . . . . . 29 ALA C . 27563 1 89 . 1 1 34 34 ALA CA C 13 55.064 0.800 . 1 . . . . . 29 ALA CA . 27563 1 90 . 1 1 34 34 ALA CB C 13 17.097 0.800 . 1 . . . . . 29 ALA CB . 27563 1 91 . 1 1 34 34 ALA N N 15 123.832 0.440 . 1 . . . . . 29 ALA N . 27563 1 92 . 1 1 35 35 VAL H H 1 8.712 0.007 . 1 . . . . . 30 VAL H . 27563 1 93 . 1 1 35 35 VAL C C 13 178.465 0.800 . 1 . . . . . 30 VAL C . 27563 1 94 . 1 1 35 35 VAL CA C 13 66.371 0.800 . 1 . . . . . 30 VAL CA . 27563 1 95 . 1 1 35 35 VAL CB C 13 30.379 0.800 . 1 . . . . . 30 VAL CB . 27563 1 96 . 1 1 35 35 VAL N N 15 121.600 0.440 . 1 . . . . . 30 VAL N . 27563 1 97 . 1 1 36 36 GLU H H 1 7.779 0.007 . 1 . . . . . 31 GLU H . 27563 1 98 . 1 1 36 36 GLU C C 13 177.121 0.800 . 1 . . . . . 31 GLU C . 27563 1 99 . 1 1 36 36 GLU CA C 13 57.725 0.800 . 1 . . . . . 31 GLU CA . 27563 1 100 . 1 1 36 36 GLU CB C 13 28.182 0.800 . 1 . . . . . 31 GLU CB . 27563 1 101 . 1 1 36 36 GLU N N 15 116.713 0.440 . 1 . . . . . 31 GLU N . 27563 1 102 . 1 1 37 37 LYS H H 1 7.220 0.007 . 1 . . . . . 32 LYS H . 27563 1 103 . 1 1 37 37 LYS C C 13 178.643 0.800 . 1 . . . . . 32 LYS C . 27563 1 104 . 1 1 37 37 LYS CA C 13 55.674 0.800 . 1 . . . . . 32 LYS CA . 27563 1 105 . 1 1 37 37 LYS CB C 13 30.398 0.800 . 1 . . . . . 32 LYS CB . 27563 1 106 . 1 1 37 37 LYS N N 15 117.016 0.440 . 1 . . . . . 32 LYS N . 27563 1 107 . 1 1 38 38 GLY H H 1 7.756 0.007 . 1 . . . . . 33 GLY H . 27563 1 108 . 1 1 38 38 GLY C C 13 173.700 0.800 . 1 . . . . . 33 GLY C . 27563 1 109 . 1 1 38 38 GLY CA C 13 46.056 0.800 . 1 . . . . . 33 GLY CA . 27563 1 110 . 1 1 38 38 GLY N N 15 105.331 0.440 . 1 . . . . . 33 GLY N . 27563 1 111 . 1 1 39 39 GLU H H 1 7.482 0.007 . 1 . . . . . 34 GLU H . 27563 1 112 . 1 1 39 39 GLU C C 13 177.134 0.800 . 1 . . . . . 34 GLU C . 27563 1 113 . 1 1 39 39 GLU CA C 13 55.037 0.800 . 1 . . . . . 34 GLU CA . 27563 1 114 . 1 1 39 39 GLU CB C 13 29.934 0.800 . 1 . . . . . 34 GLU CB . 27563 1 115 . 1 1 39 39 GLU N N 15 118.065 0.440 . 1 . . . . . 34 GLU N . 27563 1 116 . 1 1 40 40 GLU H H 1 8.616 0.007 . 1 . . . . . 35 GLU H . 27563 1 117 . 1 1 40 40 GLU C C 13 175.498 0.800 . 1 . . . . . 35 GLU C . 27563 1 118 . 1 1 40 40 GLU CA C 13 56.697 0.800 . 1 . . . . . 35 GLU CA . 27563 1 119 . 1 1 40 40 GLU CB C 13 29.809 0.800 . 1 . . . . . 35 GLU CB . 27563 1 120 . 1 1 40 40 GLU N N 15 123.639 0.440 . 1 . . . . . 35 GLU N . 27563 1 121 . 1 1 41 41 LEU H H 1 8.551 0.007 . 1 . . . . . 36 LEU H . 27563 1 122 . 1 1 41 41 LEU C C 13 178.344 0.800 . 1 . . . . . 36 LEU C . 27563 1 123 . 1 1 41 41 LEU CA C 13 53.477 0.800 . 1 . . . . . 36 LEU CA . 27563 1 124 . 1 1 41 41 LEU CB C 13 41.155 0.800 . 1 . . . . . 36 LEU CB . 27563 1 125 . 1 1 41 41 LEU N N 15 121.960 0.440 . 1 . . . . . 36 LEU N . 27563 1 126 . 1 1 42 42 SER H H 1 8.966 0.007 . 1 . . . . . 37 SER H . 27563 1 127 . 1 1 42 42 SER CA C 13 56.515 0.800 . 1 . . . . . 37 SER CA . 27563 1 128 . 1 1 42 42 SER CB C 13 64.848 0.800 . 1 . . . . . 37 SER CB . 27563 1 129 . 1 1 42 42 SER N N 15 119.790 0.440 . 1 . . . . . 37 SER N . 27563 1 130 . 1 1 44 44 GLU C C 13 179.441 0.800 . 1 . . . . . 39 GLU C . 27563 1 131 . 1 1 44 44 GLU CA C 13 59.065 0.800 . 1 . . . . . 39 GLU CA . 27563 1 132 . 1 1 44 44 GLU CB C 13 28.948 0.800 . 1 . . . . . 39 GLU CB . 27563 1 133 . 1 1 45 45 GLU H H 1 7.535 0.007 . 1 . . . . . 40 GLU H . 27563 1 134 . 1 1 45 45 GLU C C 13 178.368 0.800 . 1 . . . . . 40 GLU C . 27563 1 135 . 1 1 45 45 GLU CA C 13 58.683 0.800 . 1 . . . . . 40 GLU CA . 27563 1 136 . 1 1 45 45 GLU CB C 13 29.263 0.800 . 1 . . . . . 40 GLU CB . 27563 1 137 . 1 1 45 45 GLU N N 15 119.863 0.440 . 1 . . . . . 40 GLU N . 27563 1 138 . 1 1 46 46 ARG H H 1 8.792 0.007 . 1 . . . . . 41 ARG H . 27563 1 139 . 1 1 46 46 ARG C C 13 178.085 0.800 . 1 . . . . . 41 ARG C . 27563 1 140 . 1 1 46 46 ARG CA C 13 59.252 0.800 . 1 . . . . . 41 ARG CA . 27563 1 141 . 1 1 46 46 ARG CB C 13 28.365 0.800 . 1 . . . . . 41 ARG CB . 27563 1 142 . 1 1 46 46 ARG N N 15 120.180 0.440 . 1 . . . . . 41 ARG N . 27563 1 143 . 1 1 47 47 ASN H H 1 7.385 0.007 . 1 . . . . . 42 ASN H . 27563 1 144 . 1 1 47 47 ASN C C 13 177.170 0.800 . 1 . . . . . 42 ASN C . 27563 1 145 . 1 1 47 47 ASN CA C 13 56.524 0.800 . 1 . . . . . 42 ASN CA . 27563 1 146 . 1 1 47 47 ASN CB C 13 37.639 0.800 . 1 . . . . . 42 ASN CB . 27563 1 147 . 1 1 47 47 ASN N N 15 118.658 0.440 . 1 . . . . . 42 ASN N . 27563 1 148 . 1 1 48 48 LEU H H 1 7.759 0.007 . 1 . . . . . 43 LEU H . 27563 1 149 . 1 1 48 48 LEU C C 13 178.847 0.800 . 1 . . . . . 43 LEU C . 27563 1 150 . 1 1 48 48 LEU CA C 13 57.782 0.800 . 1 . . . . . 43 LEU CA . 27563 1 151 . 1 1 48 48 LEU CB C 13 41.379 0.800 . 1 . . . . . 43 LEU CB . 27563 1 152 . 1 1 48 48 LEU N N 15 120.237 0.440 . 1 . . . . . 43 LEU N . 27563 1 153 . 1 1 49 49 LEU H H 1 7.915 0.007 . 1 . . . . . 44 LEU H . 27563 1 154 . 1 1 49 49 LEU C C 13 177.039 0.800 . 1 . . . . . 44 LEU C . 27563 1 155 . 1 1 49 49 LEU CA C 13 58.303 0.800 . 1 . . . . . 44 LEU CA . 27563 1 156 . 1 1 49 49 LEU CB C 13 41.371 0.800 . 1 . . . . . 44 LEU CB . 27563 1 157 . 1 1 49 49 LEU N N 15 118.176 0.440 . 1 . . . . . 44 LEU N . 27563 1 158 . 1 1 50 50 SER H H 1 7.964 0.007 . 1 . . . . . 45 SER H . 27563 1 159 . 1 1 50 50 SER C C 13 177.805 0.800 . 1 . . . . . 45 SER C . 27563 1 160 . 1 1 50 50 SER CA C 13 60.647 0.800 . 1 . . . . . 45 SER CA . 27563 1 161 . 1 1 50 50 SER CB C 13 62.969 0.800 . 1 . . . . . 45 SER CB . 27563 1 162 . 1 1 50 50 SER N N 15 109.991 0.440 . 1 . . . . . 45 SER N . 27563 1 163 . 1 1 51 51 VAL H H 1 8.837 0.007 . 1 . . . . . 46 VAL H . 27563 1 164 . 1 1 51 51 VAL C C 13 178.316 0.800 . 1 . . . . . 46 VAL C . 27563 1 165 . 1 1 51 51 VAL CA C 13 66.004 0.800 . 1 . . . . . 46 VAL CA . 27563 1 166 . 1 1 51 51 VAL CB C 13 31.497 0.800 . 1 . . . . . 46 VAL CB . 27563 1 167 . 1 1 51 51 VAL N N 15 121.455 0.440 . 1 . . . . . 46 VAL N . 27563 1 168 . 1 1 52 52 ALA H H 1 8.009 0.007 . 1 . . . . . 47 ALA H . 27563 1 169 . 1 1 52 52 ALA C C 13 178.905 0.800 . 1 . . . . . 47 ALA C . 27563 1 170 . 1 1 52 52 ALA CA C 13 56.431 0.800 . 1 . . . . . 47 ALA CA . 27563 1 171 . 1 1 52 52 ALA CB C 13 17.084 0.800 . 1 . . . . . 47 ALA CB . 27563 1 172 . 1 1 52 52 ALA N N 15 122.467 0.440 . 1 . . . . . 47 ALA N . 27563 1 173 . 1 1 53 53 TYR H H 1 7.439 0.007 . 1 . . . . . 48 TYR H . 27563 1 174 . 1 1 53 53 TYR C C 13 177.902 0.800 . 1 . . . . . 48 TYR C . 27563 1 175 . 1 1 53 53 TYR CA C 13 64.136 0.800 . 1 . . . . . 48 TYR CA . 27563 1 176 . 1 1 53 53 TYR CB C 13 37.566 0.800 . 1 . . . . . 48 TYR CB . 27563 1 177 . 1 1 53 53 TYR N N 15 113.049 0.440 . 1 . . . . . 48 TYR N . 27563 1 178 . 1 1 54 54 LYS H H 1 8.517 0.007 . 1 . . . . . 49 LYS H . 27563 1 179 . 1 1 54 54 LYS C C 13 180.580 0.800 . 1 . . . . . 49 LYS C . 27563 1 180 . 1 1 54 54 LYS CA C 13 59.106 0.800 . 1 . . . . . 49 LYS CA . 27563 1 181 . 1 1 54 54 LYS CB C 13 30.987 0.800 . 1 . . . . . 49 LYS CB . 27563 1 182 . 1 1 54 54 LYS N N 15 120.494 0.440 . 1 . . . . . 49 LYS N . 27563 1 183 . 1 1 55 55 ASN H H 1 7.614 0.007 . 1 . . . . . 50 ASN H . 27563 1 184 . 1 1 55 55 ASN C C 13 178.143 0.800 . 1 . . . . . 50 ASN C . 27563 1 185 . 1 1 55 55 ASN CA C 13 56.113 0.800 . 1 . . . . . 50 ASN CA . 27563 1 186 . 1 1 55 55 ASN CB C 13 38.702 0.800 . 1 . . . . . 50 ASN CB . 27563 1 187 . 1 1 55 55 ASN N N 15 117.537 0.440 . 1 . . . . . 50 ASN N . 27563 1 188 . 1 1 56 56 VAL H H 1 7.714 0.007 . 1 . . . . . 51 VAL H . 27563 1 189 . 1 1 56 56 VAL C C 13 179.199 0.800 . 1 . . . . . 51 VAL C . 27563 1 190 . 1 1 56 56 VAL CA C 13 66.519 0.800 . 1 . . . . . 51 VAL CA . 27563 1 191 . 1 1 56 56 VAL CB C 13 31.646 0.800 . 1 . . . . . 51 VAL CB . 27563 1 192 . 1 1 56 56 VAL N N 15 121.987 0.440 . 1 . . . . . 51 VAL N . 27563 1 193 . 1 1 57 57 VAL H H 1 8.958 0.007 . 1 . . . . . 52 VAL H . 27563 1 194 . 1 1 57 57 VAL C C 13 178.601 0.800 . 1 . . . . . 52 VAL C . 27563 1 195 . 1 1 57 57 VAL CA C 13 64.146 0.800 . 1 . . . . . 52 VAL CA . 27563 1 196 . 1 1 57 57 VAL CB C 13 31.118 0.800 . 1 . . . . . 52 VAL CB . 27563 1 197 . 1 1 57 57 VAL N N 15 119.377 0.440 . 1 . . . . . 52 VAL N . 27563 1 198 . 1 1 58 58 GLY H H 1 8.240 0.007 . 1 . . . . . 53 GLY H . 27563 1 199 . 1 1 58 58 GLY C C 13 177.669 0.800 . 1 . . . . . 53 GLY C . 27563 1 200 . 1 1 58 58 GLY CA C 13 46.985 0.800 . 1 . . . . . 53 GLY CA . 27563 1 201 . 1 1 58 58 GLY N N 15 110.433 0.440 . 1 . . . . . 53 GLY N . 27563 1 202 . 1 1 59 59 GLY H H 1 7.550 0.007 . 1 . . . . . 54 GLY H . 27563 1 203 . 1 1 59 59 GLY C C 13 177.033 0.800 . 1 . . . . . 54 GLY C . 27563 1 204 . 1 1 59 59 GLY CA C 13 46.775 0.800 . 1 . . . . . 54 GLY CA . 27563 1 205 . 1 1 59 59 GLY N N 15 108.704 0.440 . 1 . . . . . 54 GLY N . 27563 1 206 . 1 1 60 60 GLN H H 1 7.245 0.007 . 1 . . . . . 55 GLN H . 27563 1 207 . 1 1 60 60 GLN C C 13 178.147 0.800 . 1 . . . . . 55 GLN C . 27563 1 208 . 1 1 60 60 GLN CA C 13 58.740 0.800 . 1 . . . . . 55 GLN CA . 27563 1 209 . 1 1 60 60 GLN CB C 13 28.187 0.800 . 1 . . . . . 55 GLN CB . 27563 1 210 . 1 1 60 60 GLN N N 15 122.982 0.440 . 1 . . . . . 55 GLN N . 27563 1 211 . 1 1 61 61 ARG H H 1 9.048 0.007 . 1 . . . . . 56 ARG H . 27563 1 212 . 1 1 61 61 ARG C C 13 178.903 0.800 . 1 . . . . . 56 ARG C . 27563 1 213 . 1 1 61 61 ARG CA C 13 58.881 0.800 . 1 . . . . . 56 ARG CA . 27563 1 214 . 1 1 61 61 ARG CB C 13 30.363 0.800 . 1 . . . . . 56 ARG CB . 27563 1 215 . 1 1 61 61 ARG N N 15 119.925 0.440 . 1 . . . . . 56 ARG N . 27563 1 216 . 1 1 62 62 ALA H H 1 7.870 0.007 . 1 . . . . . 57 ALA H . 27563 1 217 . 1 1 62 62 ALA C C 13 180.625 0.800 . 1 . . . . . 57 ALA C . 27563 1 218 . 1 1 62 62 ALA CA C 13 54.972 0.800 . 1 . . . . . 57 ALA CA . 27563 1 219 . 1 1 62 62 ALA CB C 13 17.224 0.800 . 1 . . . . . 57 ALA CB . 27563 1 220 . 1 1 62 62 ALA N N 15 120.830 0.440 . 1 . . . . . 57 ALA N . 27563 1 221 . 1 1 63 63 ALA H H 1 7.701 0.007 . 1 . . . . . 58 ALA H . 27563 1 222 . 1 1 63 63 ALA C C 13 178.740 0.800 . 1 . . . . . 58 ALA C . 27563 1 223 . 1 1 63 63 ALA CA C 13 54.734 0.800 . 1 . . . . . 58 ALA CA . 27563 1 224 . 1 1 63 63 ALA CB C 13 18.183 0.800 . 1 . . . . . 58 ALA CB . 27563 1 225 . 1 1 63 63 ALA N N 15 120.357 0.440 . 1 . . . . . 58 ALA N . 27563 1 226 . 1 1 64 64 TRP H H 1 8.982 0.007 . 1 . . . . . 59 TRP H . 27563 1 227 . 1 1 64 64 TRP C C 13 178.860 0.800 . 1 . . . . . 59 TRP C . 27563 1 228 . 1 1 64 64 TRP CA C 13 63.230 0.800 . 1 . . . . . 59 TRP CA . 27563 1 229 . 1 1 64 64 TRP CB C 13 28.274 0.800 . 1 . . . . . 59 TRP CB . 27563 1 230 . 1 1 64 64 TRP N N 15 119.908 0.440 . 1 . . . . . 59 TRP N . 27563 1 231 . 1 1 65 65 ARG H H 1 8.696 0.007 . 1 . . . . . 60 ARG H . 27563 1 232 . 1 1 65 65 ARG C C 13 179.853 0.800 . 1 . . . . . 60 ARG C . 27563 1 233 . 1 1 65 65 ARG CA C 13 59.890 0.800 . 1 . . . . . 60 ARG CA . 27563 1 234 . 1 1 65 65 ARG CB C 13 29.285 0.800 . 1 . . . . . 60 ARG CB . 27563 1 235 . 1 1 65 65 ARG N N 15 119.666 0.440 . 1 . . . . . 60 ARG N . 27563 1 236 . 1 1 66 66 VAL H H 1 7.767 0.007 . 1 . . . . . 61 VAL H . 27563 1 237 . 1 1 66 66 VAL C C 13 178.793 0.800 . 1 . . . . . 61 VAL C . 27563 1 238 . 1 1 66 66 VAL CA C 13 66.106 0.800 . 1 . . . . . 61 VAL CA . 27563 1 239 . 1 1 66 66 VAL CB C 13 30.987 0.800 . 1 . . . . . 61 VAL CB . 27563 1 240 . 1 1 66 66 VAL N N 15 121.267 0.440 . 1 . . . . . 61 VAL N . 27563 1 241 . 1 1 67 67 LEU H H 1 8.156 0.007 . 1 . . . . . 62 LEU H . 27563 1 242 . 1 1 67 67 LEU C C 13 178.498 0.800 . 1 . . . . . 62 LEU C . 27563 1 243 . 1 1 67 67 LEU CA C 13 57.315 0.800 . 1 . . . . . 62 LEU CA . 27563 1 244 . 1 1 67 67 LEU CB C 13 40.617 0.800 . 1 . . . . . 62 LEU CB . 27563 1 245 . 1 1 67 67 LEU N N 15 119.802 0.440 . 1 . . . . . 62 LEU N . 27563 1 246 . 1 1 68 68 SER H H 1 8.521 0.007 . 1 . . . . . 63 SER H . 27563 1 247 . 1 1 68 68 SER CA C 13 60.889 0.800 . 1 . . . . . 63 SER CA . 27563 1 248 . 1 1 68 68 SER CB C 13 61.993 0.800 . 1 . . . . . 63 SER CB . 27563 1 249 . 1 1 68 68 SER N N 15 114.266 0.440 . 1 . . . . . 63 SER N . 27563 1 250 . 1 1 69 69 SER C C 13 176.945 0.800 . 1 . . . . . 64 SER C . 27563 1 251 . 1 1 69 69 SER CA C 13 61.079 0.800 . 1 . . . . . 64 SER CA . 27563 1 252 . 1 1 69 69 SER CB C 13 62.171 0.800 . 1 . . . . . 64 SER CB . 27563 1 253 . 1 1 70 70 ILE H H 1 7.698 0.007 . 1 . . . . . 65 ILE H . 27563 1 254 . 1 1 70 70 ILE C C 13 178.847 0.800 . 1 . . . . . 65 ILE C . 27563 1 255 . 1 1 70 70 ILE CA C 13 64.873 0.800 . 1 . . . . . 65 ILE CA . 27563 1 256 . 1 1 70 70 ILE CB C 13 37.499 0.800 . 1 . . . . . 65 ILE CB . 27563 1 257 . 1 1 70 70 ILE N N 15 123.806 0.440 . 1 . . . . . 65 ILE N . 27563 1 258 . 1 1 71 71 GLU H H 1 8.306 0.007 . 1 . . . . . 66 GLU H . 27563 1 259 . 1 1 71 71 GLU C C 13 178.666 0.800 . 1 . . . . . 66 GLU C . 27563 1 260 . 1 1 71 71 GLU CA C 13 59.044 0.800 . 1 . . . . . 66 GLU CA . 27563 1 261 . 1 1 71 71 GLU CB C 13 29.562 0.800 . 1 . . . . . 66 GLU CB . 27563 1 262 . 1 1 71 71 GLU N N 15 122.772 0.440 . 1 . . . . . 66 GLU N . 27563 1 263 . 1 1 72 72 GLN H H 1 7.980 0.007 . 1 . . . . . 67 GLN H . 27563 1 264 . 1 1 72 72 GLN C C 13 178.128 0.800 . 1 . . . . . 67 GLN C . 27563 1 265 . 1 1 72 72 GLN CA C 13 57.659 0.800 . 1 . . . . . 67 GLN CA . 27563 1 266 . 1 1 72 72 GLN CB C 13 27.675 0.800 . 1 . . . . . 67 GLN CB . 27563 1 267 . 1 1 72 72 GLN N N 15 117.302 0.440 . 1 . . . . . 67 GLN N . 27563 1 268 . 1 1 73 73 LYS H H 1 7.720 0.007 . 1 . . . . . 68 LYS H . 27563 1 269 . 1 1 73 73 LYS C C 13 178.284 0.800 . 1 . . . . . 68 LYS C . 27563 1 270 . 1 1 73 73 LYS CA C 13 57.712 0.800 . 1 . . . . . 68 LYS CA . 27563 1 271 . 1 1 73 73 LYS CB C 13 31.277 0.800 . 1 . . . . . 68 LYS CB . 27563 1 272 . 1 1 73 73 LYS N N 15 120.112 0.440 . 1 . . . . . 68 LYS N . 27563 1 273 . 1 1 74 74 SER H H 1 8.070 0.007 . 1 . . . . . 69 SER H . 27563 1 274 . 1 1 74 74 SER C C 13 175.074 0.800 . 1 . . . . . 69 SER C . 27563 1 275 . 1 1 74 74 SER CA C 13 59.833 0.800 . 1 . . . . . 69 SER CA . 27563 1 276 . 1 1 74 74 SER CB C 13 62.748 0.800 . 1 . . . . . 69 SER CB . 27563 1 277 . 1 1 74 74 SER N N 15 115.853 0.440 . 1 . . . . . 69 SER N . 27563 1 278 . 1 1 75 75 ASN H H 1 7.992 0.007 . 1 . . . . . 70 ASN H . 27563 1 279 . 1 1 75 75 ASN C C 13 176.174 0.800 . 1 . . . . . 70 ASN C . 27563 1 280 . 1 1 75 75 ASN CA C 13 53.686 0.800 . 1 . . . . . 70 ASN CA . 27563 1 281 . 1 1 75 75 ASN CB C 13 38.386 0.800 . 1 . . . . . 70 ASN CB . 27563 1 282 . 1 1 75 75 ASN N N 15 119.701 0.440 . 1 . . . . . 70 ASN N . 27563 1 283 . 1 1 76 76 GLU H H 1 7.972 0.007 . 1 . . . . . 71 GLU H . 27563 1 284 . 1 1 76 76 GLU C C 13 176.702 0.800 . 1 . . . . . 71 GLU C . 27563 1 285 . 1 1 76 76 GLU CA C 13 56.850 0.800 . 1 . . . . . 71 GLU CA . 27563 1 286 . 1 1 76 76 GLU CB C 13 29.426 0.800 . 1 . . . . . 71 GLU CB . 27563 1 287 . 1 1 76 76 GLU N N 15 120.772 0.440 . 1 . . . . . 71 GLU N . 27563 1 288 . 1 1 77 77 GLU H H 1 8.329 0.007 . 1 . . . . . 72 GLU H . 27563 1 289 . 1 1 77 77 GLU C C 13 177.474 0.800 . 1 . . . . . 72 GLU C . 27563 1 290 . 1 1 77 77 GLU CA C 13 56.490 0.800 . 1 . . . . . 72 GLU CA . 27563 1 291 . 1 1 77 77 GLU CB C 13 29.139 0.800 . 1 . . . . . 72 GLU CB . 27563 1 292 . 1 1 77 77 GLU N N 15 121.338 0.440 . 1 . . . . . 72 GLU N . 27563 1 293 . 1 1 78 78 GLY H H 1 8.322 0.007 . 1 . . . . . 73 GLY H . 27563 1 294 . 1 1 78 78 GLY C C 13 174.651 0.800 . 1 . . . . . 73 GLY C . 27563 1 295 . 1 1 78 78 GLY CA C 13 45.243 0.800 . 1 . . . . . 73 GLY CA . 27563 1 296 . 1 1 78 78 GLY N N 15 110.696 0.440 . 1 . . . . . 73 GLY N . 27563 1 297 . 1 1 79 79 SER H H 1 7.974 0.007 . 1 . . . . . 74 SER H . 27563 1 298 . 1 1 79 79 SER C C 13 175.080 0.800 . 1 . . . . . 74 SER C . 27563 1 299 . 1 1 79 79 SER CA C 13 57.871 0.800 . 1 . . . . . 74 SER CA . 27563 1 300 . 1 1 79 79 SER CB C 13 63.425 0.800 . 1 . . . . . 74 SER CB . 27563 1 301 . 1 1 79 79 SER N N 15 115.631 0.440 . 1 . . . . . 74 SER N . 27563 1 302 . 1 1 80 80 GLU H H 1 8.575 0.007 . 1 . . . . . 75 GLU H . 27563 1 303 . 1 1 80 80 GLU C C 13 176.702 0.800 . 1 . . . . . 75 GLU C . 27563 1 304 . 1 1 80 80 GLU CA C 13 56.653 0.800 . 1 . . . . . 75 GLU CA . 27563 1 305 . 1 1 80 80 GLU CB C 13 29.296 0.800 . 1 . . . . . 75 GLU CB . 27563 1 306 . 1 1 80 80 GLU N N 15 123.382 0.440 . 1 . . . . . 75 GLU N . 27563 1 307 . 1 1 81 81 GLU H H 1 8.328 0.007 . 1 . . . . . 76 GLU H . 27563 1 308 . 1 1 81 81 GLU C C 13 176.427 0.800 . 1 . . . . . 76 GLU C . 27563 1 309 . 1 1 81 81 GLU CA C 13 56.490 0.800 . 1 . . . . . 76 GLU CA . 27563 1 310 . 1 1 81 81 GLU CB C 13 29.139 0.800 . 1 . . . . . 76 GLU CB . 27563 1 311 . 1 1 81 81 GLU N N 15 121.333 0.440 . 1 . . . . . 76 GLU N . 27563 1 312 . 1 1 82 82 LYS H H 1 8.195 0.007 . 1 . . . . . 77 LYS H . 27563 1 313 . 1 1 82 82 LYS C C 13 176.809 0.800 . 1 . . . . . 77 LYS C . 27563 1 314 . 1 1 82 82 LYS CA C 13 55.641 0.800 . 1 . . . . . 77 LYS CA . 27563 1 315 . 1 1 82 82 LYS CB C 13 32.166 0.800 . 1 . . . . . 77 LYS CB . 27563 1 316 . 1 1 82 82 LYS N N 15 122.640 0.440 . 1 . . . . . 77 LYS N . 27563 1 317 . 1 1 83 83 GLY H H 1 8.317 0.007 . 1 . . . . . 78 GLY H . 27563 1 318 . 1 1 83 83 GLY CA C 13 45.037 0.800 . 1 . . . . . 78 GLY CA . 27563 1 319 . 1 1 83 83 GLY N N 15 109.963 0.440 . 1 . . . . . 78 GLY N . 27563 1 320 . 1 1 84 84 PRO C C 13 177.492 0.800 . 1 . . . . . 79 PRO C . 27563 1 321 . 1 1 84 84 PRO CA C 13 64.095 0.800 . 1 . . . . . 79 PRO CA . 27563 1 322 . 1 1 84 84 PRO CB C 13 31.502 0.800 . 1 . . . . . 79 PRO CB . 27563 1 323 . 1 1 85 85 GLU H H 1 8.964 0.007 . 1 . . . . . 80 GLU H . 27563 1 324 . 1 1 85 85 GLU C C 13 178.075 0.800 . 1 . . . . . 80 GLU C . 27563 1 325 . 1 1 85 85 GLU CA C 13 60.982 0.800 . 1 . . . . . 80 GLU CA . 27563 1 326 . 1 1 85 85 GLU CB C 13 27.299 0.800 . 1 . . . . . 80 GLU CB . 27563 1 327 . 1 1 85 85 GLU N N 15 119.524 0.440 . 1 . . . . . 80 GLU N . 27563 1 328 . 1 1 86 86 VAL H H 1 7.832 0.007 . 1 . . . . . 81 VAL H . 27563 1 329 . 1 1 86 86 VAL C C 13 176.437 0.800 . 1 . . . . . 81 VAL C . 27563 1 330 . 1 1 86 86 VAL CA C 13 65.360 0.800 . 1 . . . . . 81 VAL CA . 27563 1 331 . 1 1 86 86 VAL CB C 13 29.931 0.800 . 1 . . . . . 81 VAL CB . 27563 1 332 . 1 1 86 86 VAL N N 15 117.526 0.440 . 1 . . . . . 81 VAL N . 27563 1 333 . 1 1 87 87 ARG H H 1 7.668 0.007 . 1 . . . . . 82 ARG H . 27563 1 334 . 1 1 87 87 ARG C C 13 178.206 0.800 . 1 . . . . . 82 ARG C . 27563 1 335 . 1 1 87 87 ARG CA C 13 59.100 0.800 . 1 . . . . . 82 ARG CA . 27563 1 336 . 1 1 87 87 ARG CB C 13 28.722 0.800 . 1 . . . . . 82 ARG CB . 27563 1 337 . 1 1 87 87 ARG N N 15 121.578 0.440 . 1 . . . . . 82 ARG N . 27563 1 338 . 1 1 88 88 GLU H H 1 8.065 0.007 . 1 . . . . . 83 GLU H . 27563 1 339 . 1 1 88 88 GLU CA C 13 58.751 0.800 . 1 . . . . . 83 GLU CA . 27563 1 340 . 1 1 88 88 GLU CB C 13 29.107 0.800 . 1 . . . . . 83 GLU CB . 27563 1 341 . 1 1 88 88 GLU N N 15 116.518 0.440 . 1 . . . . . 83 GLU N . 27563 1 342 . 1 1 89 89 TYR C C 13 177.159 0.800 . 1 . . . . . 84 TYR C . 27563 1 343 . 1 1 89 89 TYR CA C 13 58.807 0.800 . 1 . . . . . 84 TYR CA . 27563 1 344 . 1 1 89 89 TYR CB C 13 37.556 0.800 . 1 . . . . . 84 TYR CB . 27563 1 345 . 1 1 90 90 ARG H H 1 8.778 0.007 . 1 . . . . . 85 ARG H . 27563 1 346 . 1 1 90 90 ARG C C 13 179.316 0.800 . 1 . . . . . 85 ARG C . 27563 1 347 . 1 1 90 90 ARG CA C 13 60.950 0.800 . 1 . . . . . 85 ARG CA . 27563 1 348 . 1 1 90 90 ARG CB C 13 26.587 0.800 . 1 . . . . . 85 ARG CB . 27563 1 349 . 1 1 90 90 ARG N N 15 121.605 0.440 . 1 . . . . . 85 ARG N . 27563 1 350 . 1 1 91 91 GLU H H 1 8.590 0.007 . 1 . . . . . 86 GLU H . 27563 1 351 . 1 1 91 91 GLU C C 13 179.041 0.800 . 1 . . . . . 86 GLU C . 27563 1 352 . 1 1 91 91 GLU CA C 13 59.577 0.800 . 1 . . . . . 86 GLU CA . 27563 1 353 . 1 1 91 91 GLU CB C 13 28.689 0.800 . 1 . . . . . 86 GLU CB . 27563 1 354 . 1 1 91 91 GLU N N 15 118.282 0.440 . 1 . . . . . 86 GLU N . 27563 1 355 . 1 1 92 92 LYS H H 1 7.737 0.007 . 1 . . . . . 87 LYS H . 27563 1 356 . 1 1 92 92 LYS C C 13 179.390 0.800 . 1 . . . . . 87 LYS C . 27563 1 357 . 1 1 92 92 LYS CA C 13 59.395 0.800 . 1 . . . . . 87 LYS CA . 27563 1 358 . 1 1 92 92 LYS CB C 13 31.452 0.800 . 1 . . . . . 87 LYS CB . 27563 1 359 . 1 1 92 92 LYS N N 15 123.143 0.440 . 1 . . . . . 87 LYS N . 27563 1 360 . 1 1 93 93 VAL H H 1 8.000 0.007 . 1 . . . . . 88 VAL H . 27563 1 361 . 1 1 93 93 VAL C C 13 177.825 0.800 . 1 . . . . . 88 VAL C . 27563 1 362 . 1 1 93 93 VAL CA C 13 66.479 0.800 . 1 . . . . . 88 VAL CA . 27563 1 363 . 1 1 93 93 VAL CB C 13 31.717 0.800 . 1 . . . . . 88 VAL CB . 27563 1 364 . 1 1 93 93 VAL N N 15 120.873 0.440 . 1 . . . . . 88 VAL N . 27563 1 365 . 1 1 94 94 GLU H H 1 8.968 0.007 . 1 . . . . . 89 GLU H . 27563 1 366 . 1 1 94 94 GLU C C 13 178.175 0.800 . 1 . . . . . 89 GLU C . 27563 1 367 . 1 1 94 94 GLU CA C 13 60.393 0.800 . 1 . . . . . 89 GLU CA . 27563 1 368 . 1 1 94 94 GLU CB C 13 30.757 0.800 . 1 . . . . . 89 GLU CB . 27563 1 369 . 1 1 94 94 GLU N N 15 120.342 0.440 . 1 . . . . . 89 GLU N . 27563 1 370 . 1 1 95 95 THR H H 1 8.312 0.007 . 1 . . . . . 90 THR H . 27563 1 371 . 1 1 95 95 THR C C 13 177.756 0.800 . 1 . . . . . 90 THR C . 27563 1 372 . 1 1 95 95 THR CA C 13 65.868 0.800 . 1 . . . . . 90 THR CA . 27563 1 373 . 1 1 95 95 THR CB C 13 68.639 0.800 . 1 . . . . . 90 THR CB . 27563 1 374 . 1 1 95 95 THR N N 15 114.368 0.440 . 1 . . . . . 90 THR N . 27563 1 375 . 1 1 96 96 GLU H H 1 7.883 0.007 . 1 . . . . . 91 GLU H . 27563 1 376 . 1 1 96 96 GLU C C 13 179.389 0.800 . 1 . . . . . 91 GLU C . 27563 1 377 . 1 1 96 96 GLU CA C 13 59.286 0.800 . 1 . . . . . 91 GLU CA . 27563 1 378 . 1 1 96 96 GLU CB C 13 28.751 0.800 . 1 . . . . . 91 GLU CB . 27563 1 379 . 1 1 96 96 GLU N N 15 125.574 0.440 . 1 . . . . . 91 GLU N . 27563 1 380 . 1 1 97 97 LEU H H 1 8.457 0.007 . 1 . . . . . 92 LEU H . 27563 1 381 . 1 1 97 97 LEU C C 13 179.695 0.800 . 1 . . . . . 92 LEU C . 27563 1 382 . 1 1 97 97 LEU CA C 13 58.132 0.800 . 1 . . . . . 92 LEU CA . 27563 1 383 . 1 1 97 97 LEU CB C 13 41.616 0.800 . 1 . . . . . 92 LEU CB . 27563 1 384 . 1 1 97 97 LEU N N 15 124.633 0.440 . 1 . . . . . 92 LEU N . 27563 1 385 . 1 1 98 98 GLN H H 1 8.695 0.007 . 1 . . . . . 93 GLN H . 27563 1 386 . 1 1 98 98 GLN C C 13 178.330 0.800 . 1 . . . . . 93 GLN C . 27563 1 387 . 1 1 98 98 GLN CA C 13 58.615 0.800 . 1 . . . . . 93 GLN CA . 27563 1 388 . 1 1 98 98 GLN CB C 13 27.018 0.800 . 1 . . . . . 93 GLN CB . 27563 1 389 . 1 1 98 98 GLN N N 15 119.799 0.440 . 1 . . . . . 93 GLN N . 27563 1 390 . 1 1 99 99 GLY H H 1 8.088 0.007 . 1 . . . . . 94 GLY H . 27563 1 391 . 1 1 99 99 GLY C C 13 177.293 0.800 . 1 . . . . . 94 GLY C . 27563 1 392 . 1 1 99 99 GLY CA C 13 46.879 0.800 . 1 . . . . . 94 GLY CA . 27563 1 393 . 1 1 99 99 GLY N N 15 106.007 0.440 . 1 . . . . . 94 GLY N . 27563 1 394 . 1 1 100 100 VAL H H 1 8.009 0.007 . 1 . . . . . 95 VAL H . 27563 1 395 . 1 1 100 100 VAL CA C 13 66.690 0.800 . 1 . . . . . 95 VAL CA . 27563 1 396 . 1 1 100 100 VAL CB C 13 30.614 0.800 . 1 . . . . . 95 VAL CB . 27563 1 397 . 1 1 100 100 VAL N N 15 124.846 0.440 . 1 . . . . . 95 VAL N . 27563 1 398 . 1 1 101 101 CYS C C 13 176.551 0.800 . 1 . . . . . 96 CYS C . 27563 1 399 . 1 1 101 101 CYS CA C 13 64.283 0.800 . 1 . . . . . 96 CYS CA . 27563 1 400 . 1 1 101 101 CYS CB C 13 26.427 0.800 . 1 . . . . . 96 CYS CB . 27563 1 401 . 1 1 102 102 ASP H H 1 8.857 0.007 . 1 . . . . . 97 ASP H . 27563 1 402 . 1 1 102 102 ASP C C 13 179.993 0.800 . 1 . . . . . 97 ASP C . 27563 1 403 . 1 1 102 102 ASP CA C 13 57.247 0.800 . 1 . . . . . 97 ASP CA . 27563 1 404 . 1 1 102 102 ASP CB C 13 39.844 0.800 . 1 . . . . . 97 ASP CB . 27563 1 405 . 1 1 102 102 ASP N N 15 118.802 0.440 . 1 . . . . . 97 ASP N . 27563 1 406 . 1 1 103 103 THR H H 1 7.949 0.007 . 1 . . . . . 98 THR H . 27563 1 407 . 1 1 103 103 THR C C 13 176.571 0.800 . 1 . . . . . 98 THR C . 27563 1 408 . 1 1 103 103 THR CA C 13 66.406 0.800 . 1 . . . . . 98 THR CA . 27563 1 409 . 1 1 103 103 THR CB C 13 67.644 0.800 . 1 . . . . . 98 THR CB . 27563 1 410 . 1 1 103 103 THR N N 15 119.744 0.440 . 1 . . . . . 98 THR N . 27563 1 411 . 1 1 104 104 VAL H H 1 7.805 0.007 . 1 . . . . . 99 VAL H . 27563 1 412 . 1 1 104 104 VAL C C 13 177.500 0.800 . 1 . . . . . 99 VAL C . 27563 1 413 . 1 1 104 104 VAL CA C 13 66.642 0.800 . 1 . . . . . 99 VAL CA . 27563 1 414 . 1 1 104 104 VAL CB C 13 30.332 0.800 . 1 . . . . . 99 VAL CB . 27563 1 415 . 1 1 104 104 VAL N N 15 124.109 0.440 . 1 . . . . . 99 VAL N . 27563 1 416 . 1 1 105 105 LEU H H 1 8.419 0.007 . 1 . . . . . 100 LEU H . 27563 1 417 . 1 1 105 105 LEU C C 13 179.430 0.800 . 1 . . . . . 100 LEU C . 27563 1 418 . 1 1 105 105 LEU CA C 13 57.842 0.800 . 1 . . . . . 100 LEU CA . 27563 1 419 . 1 1 105 105 LEU CB C 13 40.137 0.800 . 1 . . . . . 100 LEU CB . 27563 1 420 . 1 1 105 105 LEU N N 15 119.780 0.440 . 1 . . . . . 100 LEU N . 27563 1 421 . 1 1 106 106 GLY H H 1 8.060 0.007 . 1 . . . . . 101 GLY H . 27563 1 422 . 1 1 106 106 GLY C C 13 176.791 0.800 . 1 . . . . . 101 GLY C . 27563 1 423 . 1 1 106 106 GLY CA C 13 46.720 0.800 . 1 . . . . . 101 GLY CA . 27563 1 424 . 1 1 106 106 GLY N N 15 106.525 0.440 . 1 . . . . . 101 GLY N . 27563 1 425 . 1 1 107 107 LEU H H 1 7.833 0.007 . 1 . . . . . 102 LEU H . 27563 1 426 . 1 1 107 107 LEU CA C 13 57.610 0.800 . 1 . . . . . 102 LEU CA . 27563 1 427 . 1 1 107 107 LEU CB C 13 41.601 0.800 . 1 . . . . . 102 LEU CB . 27563 1 428 . 1 1 107 107 LEU N N 15 123.874 0.440 . 1 . . . . . 102 LEU N . 27563 1 429 . 1 1 108 108 LEU C C 13 177.913 0.800 . 1 . . . . . 103 LEU C . 27563 1 430 . 1 1 108 108 LEU CA C 13 58.029 0.800 . 1 . . . . . 103 LEU CA . 27563 1 431 . 1 1 108 108 LEU CB C 13 40.357 0.800 . 1 . . . . . 103 LEU CB . 27563 1 432 . 1 1 109 109 ASP H H 1 8.118 0.007 . 1 . . . . . 104 ASP H . 27563 1 433 . 1 1 109 109 ASP C C 13 178.878 0.800 . 1 . . . . . 104 ASP C . 27563 1 434 . 1 1 109 109 ASP CA C 13 56.729 0.800 . 1 . . . . . 104 ASP CA . 27563 1 435 . 1 1 109 109 ASP CB C 13 40.391 0.800 . 1 . . . . . 104 ASP CB . 27563 1 436 . 1 1 109 109 ASP N N 15 117.106 0.440 . 1 . . . . . 104 ASP N . 27563 1 437 . 1 1 110 110 SER H H 1 8.486 0.007 . 1 . . . . . 105 SER H . 27563 1 438 . 1 1 110 110 SER C C 13 174.729 0.800 . 1 . . . . . 105 SER C . 27563 1 439 . 1 1 110 110 SER CA C 13 60.483 0.800 . 1 . . . . . 105 SER CA . 27563 1 440 . 1 1 110 110 SER CB C 13 62.670 0.800 . 1 . . . . . 105 SER CB . 27563 1 441 . 1 1 110 110 SER N N 15 113.378 0.440 . 1 . . . . . 105 SER N . 27563 1 442 . 1 1 111 111 HIS H H 1 7.392 0.007 . 1 . . . . . 106 HIS H . 27563 1 443 . 1 1 111 111 HIS C C 13 175.499 0.800 . 1 . . . . . 106 HIS C . 27563 1 444 . 1 1 111 111 HIS CA C 13 57.674 0.800 . 1 . . . . . 106 HIS CA . 27563 1 445 . 1 1 111 111 HIS CB C 13 33.046 0.800 . 1 . . . . . 106 HIS CB . 27563 1 446 . 1 1 111 111 HIS N N 15 115.373 0.440 . 1 . . . . . 106 HIS N . 27563 1 447 . 1 1 112 112 LEU H H 1 7.294 0.007 . 1 . . . . . 107 LEU H . 27563 1 448 . 1 1 112 112 LEU C C 13 177.941 0.800 . 1 . . . . . 107 LEU C . 27563 1 449 . 1 1 112 112 LEU CA C 13 57.216 0.800 . 1 . . . . . 107 LEU CA . 27563 1 450 . 1 1 112 112 LEU CB C 13 40.304 0.800 . 1 . . . . . 107 LEU CB . 27563 1 451 . 1 1 112 112 LEU N N 15 116.939 0.440 . 1 . . . . . 107 LEU N . 27563 1 452 . 1 1 113 113 ILE H H 1 8.557 0.007 . 1 . . . . . 108 ILE H . 27563 1 453 . 1 1 113 113 ILE CA C 13 64.361 0.800 . 1 . . . . . 108 ILE CA . 27563 1 454 . 1 1 113 113 ILE CB C 13 36.380 0.800 . 1 . . . . . 108 ILE CB . 27563 1 455 . 1 1 113 113 ILE N N 15 119.631 0.440 . 1 . . . . . 108 ILE N . 27563 1 456 . 1 1 115 115 GLU C C 13 176.024 0.800 . 1 . . . . . 110 GLU C . 27563 1 457 . 1 1 115 115 GLU CA C 13 56.374 0.800 . 1 . . . . . 110 GLU CA . 27563 1 458 . 1 1 115 115 GLU CB C 13 28.700 0.800 . 1 . . . . . 110 GLU CB . 27563 1 459 . 1 1 116 116 ALA H H 1 7.414 0.007 . 1 . . . . . 111 ALA H . 27563 1 460 . 1 1 116 116 ALA C C 13 178.164 0.800 . 1 . . . . . 111 ALA C . 27563 1 461 . 1 1 116 116 ALA CA C 13 51.800 0.800 . 1 . . . . . 111 ALA CA . 27563 1 462 . 1 1 116 116 ALA CB C 13 18.371 0.800 . 1 . . . . . 111 ALA CB . 27563 1 463 . 1 1 116 116 ALA N N 15 121.263 0.440 . 1 . . . . . 111 ALA N . 27563 1 464 . 1 1 117 117 GLY H H 1 8.290 0.007 . 1 . . . . . 112 GLY H . 27563 1 465 . 1 1 117 117 GLY C C 13 173.450 0.800 . 1 . . . . . 112 GLY C . 27563 1 466 . 1 1 117 117 GLY CA C 13 44.786 0.800 . 1 . . . . . 112 GLY CA . 27563 1 467 . 1 1 117 117 GLY N N 15 108.870 0.440 . 1 . . . . . 112 GLY N . 27563 1 468 . 1 1 118 118 ASP H H 1 8.002 0.007 . 1 . . . . . 113 ASP H . 27563 1 469 . 1 1 118 118 ASP C C 13 175.789 0.800 . 1 . . . . . 113 ASP C . 27563 1 470 . 1 1 118 118 ASP CA C 13 52.789 0.800 . 1 . . . . . 113 ASP CA . 27563 1 471 . 1 1 118 118 ASP CB C 13 41.752 0.800 . 1 . . . . . 113 ASP CB . 27563 1 472 . 1 1 118 118 ASP N N 15 118.293 0.440 . 1 . . . . . 113 ASP N . 27563 1 473 . 1 1 119 119 ALA H H 1 8.742 0.007 . 1 . . . . . 114 ALA H . 27563 1 474 . 1 1 119 119 ALA C C 13 178.616 0.800 . 1 . . . . . 114 ALA C . 27563 1 475 . 1 1 119 119 ALA CA C 13 55.401 0.800 . 1 . . . . . 114 ALA CA . 27563 1 476 . 1 1 119 119 ALA CB C 13 17.866 0.800 . 1 . . . . . 114 ALA CB . 27563 1 477 . 1 1 119 119 ALA N N 15 124.565 0.440 . 1 . . . . . 114 ALA N . 27563 1 478 . 1 1 120 120 GLU H H 1 8.317 0.007 . 1 . . . . . 115 GLU H . 27563 1 479 . 1 1 120 120 GLU CA C 13 60.398 0.800 . 1 . . . . . 115 GLU CA . 27563 1 480 . 1 1 120 120 GLU CB C 13 28.383 0.800 . 1 . . . . . 115 GLU CB . 27563 1 481 . 1 1 120 120 GLU N N 15 116.691 0.440 . 1 . . . . . 115 GLU N . 27563 1 482 . 1 1 122 122 ARG C C 13 179.127 0.800 . 1 . . . . . 117 ARG C . 27563 1 483 . 1 1 122 122 ARG CA C 13 60.512 0.800 . 1 . . . . . 117 ARG CA . 27563 1 484 . 1 1 122 122 ARG CB C 13 29.864 0.800 . 1 . . . . . 117 ARG CB . 27563 1 485 . 1 1 123 123 VAL H H 1 8.543 0.007 . 1 . . . . . 118 VAL H . 27563 1 486 . 1 1 123 123 VAL C C 13 176.710 0.800 . 1 . . . . . 118 VAL C . 27563 1 487 . 1 1 123 123 VAL CA C 13 66.982 0.800 . 1 . . . . . 118 VAL CA . 27563 1 488 . 1 1 123 123 VAL CB C 13 30.424 0.800 . 1 . . . . . 118 VAL CB . 27563 1 489 . 1 1 123 123 VAL N N 15 117.605 0.440 . 1 . . . . . 118 VAL N . 27563 1 490 . 1 1 124 124 PHE H H 1 8.208 0.007 . 1 . . . . . 119 PHE H . 27563 1 491 . 1 1 124 124 PHE C C 13 178.874 0.800 . 1 . . . . . 119 PHE C . 27563 1 492 . 1 1 124 124 PHE CA C 13 62.052 0.800 . 1 . . . . . 119 PHE CA . 27563 1 493 . 1 1 124 124 PHE CB C 13 38.568 0.800 . 1 . . . . . 119 PHE CB . 27563 1 494 . 1 1 124 124 PHE N N 15 120.351 0.440 . 1 . . . . . 119 PHE N . 27563 1 495 . 1 1 125 125 TYR H H 1 8.433 0.007 . 1 . . . . . 120 TYR H . 27563 1 496 . 1 1 125 125 TYR CA C 13 59.642 0.800 . 1 . . . . . 120 TYR CA . 27563 1 497 . 1 1 125 125 TYR CB C 13 38.014 0.800 . 1 . . . . . 120 TYR CB . 27563 1 498 . 1 1 125 125 TYR N N 15 117.787 0.440 . 1 . . . . . 120 TYR N . 27563 1 499 . 1 1 129 129 LYS C C 13 177.218 0.800 . 1 . . . . . 124 LYS C . 27563 1 500 . 1 1 129 129 LYS CA C 13 59.477 0.800 . 1 . . . . . 124 LYS CA . 27563 1 501 . 1 1 129 129 LYS CB C 13 31.560 0.800 . 1 . . . . . 124 LYS CB . 27563 1 502 . 1 1 130 130 GLY H H 1 7.790 0.007 . 1 . . . . . 125 GLY H . 27563 1 503 . 1 1 130 130 GLY C C 13 174.289 0.800 . 1 . . . . . 125 GLY C . 27563 1 504 . 1 1 130 130 GLY CA C 13 46.885 0.800 . 1 . . . . . 125 GLY CA . 27563 1 505 . 1 1 130 130 GLY N N 15 105.793 0.440 . 1 . . . . . 125 GLY N . 27563 1 506 . 1 1 131 131 ASP H H 1 8.514 0.007 . 1 . . . . . 126 ASP H . 27563 1 507 . 1 1 131 131 ASP CA C 13 56.567 0.800 . 1 . . . . . 126 ASP CA . 27563 1 508 . 1 1 131 131 ASP CB C 13 39.244 0.800 . 1 . . . . . 126 ASP CB . 27563 1 509 . 1 1 131 131 ASP N N 15 120.403 0.440 . 1 . . . . . 126 ASP N . 27563 1 510 . 1 1 137 137 ALA C C 13 179.009 0.800 . 1 . . . . . 132 ALA C . 27563 1 511 . 1 1 137 137 ALA CA C 13 54.232 0.800 . 1 . . . . . 132 ALA CA . 27563 1 512 . 1 1 137 137 ALA CB C 13 17.237 0.800 . 1 . . . . . 132 ALA CB . 27563 1 513 . 1 1 138 138 GLU H H 1 7.598 0.007 . 1 . . . . . 133 GLU H . 27563 1 514 . 1 1 138 138 GLU C C 13 177.885 0.800 . 1 . . . . . 133 GLU C . 27563 1 515 . 1 1 138 138 GLU CA C 13 58.758 0.800 . 1 . . . . . 133 GLU CA . 27563 1 516 . 1 1 138 138 GLU CB C 13 29.328 0.800 . 1 . . . . . 133 GLU CB . 27563 1 517 . 1 1 138 138 GLU N N 15 115.034 0.440 . 1 . . . . . 133 GLU N . 27563 1 518 . 1 1 139 139 VAL H H 1 6.511 0.007 . 1 . . . . . 134 VAL H . 27563 1 519 . 1 1 139 139 VAL C C 13 174.985 0.800 . 1 . . . . . 134 VAL C . 27563 1 520 . 1 1 139 139 VAL CA C 13 59.629 0.800 . 1 . . . . . 134 VAL CA . 27563 1 521 . 1 1 139 139 VAL CB C 13 30.824 0.800 . 1 . . . . . 134 VAL CB . 27563 1 522 . 1 1 139 139 VAL N N 15 106.584 0.440 . 1 . . . . . 134 VAL N . 27563 1 523 . 1 1 140 140 ALA H H 1 7.113 0.007 . 1 . . . . . 135 ALA H . 27563 1 524 . 1 1 140 140 ALA C C 13 176.321 0.800 . 1 . . . . . 135 ALA C . 27563 1 525 . 1 1 140 140 ALA CA C 13 51.169 0.800 . 1 . . . . . 135 ALA CA . 27563 1 526 . 1 1 140 140 ALA CB C 13 20.029 0.800 . 1 . . . . . 135 ALA CB . 27563 1 527 . 1 1 140 140 ALA N N 15 125.090 0.440 . 1 . . . . . 135 ALA N . 27563 1 528 . 1 1 141 141 THR H H 1 8.476 0.007 . 1 . . . . . 136 THR H . 27563 1 529 . 1 1 141 141 THR C C 13 175.695 0.800 . 1 . . . . . 136 THR C . 27563 1 530 . 1 1 141 141 THR CA C 13 59.840 0.800 . 1 . . . . . 136 THR CA . 27563 1 531 . 1 1 141 141 THR CB C 13 71.981 0.800 . 1 . . . . . 136 THR CB . 27563 1 532 . 1 1 141 141 THR N N 15 109.415 0.440 . 1 . . . . . 136 THR N . 27563 1 533 . 1 1 142 142 GLY H H 1 8.622 0.007 . 1 . . . . . 137 GLY H . 27563 1 534 . 1 1 142 142 GLY CA C 13 46.044 0.800 . 1 . . . . . 137 GLY CA . 27563 1 535 . 1 1 142 142 GLY N N 15 108.664 0.440 . 1 . . . . . 137 GLY N . 27563 1 536 . 1 1 143 143 ASP C C 13 178.523 0.800 . 1 . . . . . 138 ASP C . 27563 1 537 . 1 1 143 143 ASP CA C 13 56.762 0.800 . 1 . . . . . 138 ASP CA . 27563 1 538 . 1 1 143 143 ASP CB C 13 39.886 0.800 . 1 . . . . . 138 ASP CB . 27563 1 539 . 1 1 144 144 ASP H H 1 8.272 0.007 . 1 . . . . . 139 ASP H . 27563 1 540 . 1 1 144 144 ASP C C 13 177.458 0.800 . 1 . . . . . 139 ASP C . 27563 1 541 . 1 1 144 144 ASP CA C 13 56.735 0.800 . 1 . . . . . 139 ASP CA . 27563 1 542 . 1 1 144 144 ASP CB C 13 40.022 0.800 . 1 . . . . . 139 ASP CB . 27563 1 543 . 1 1 144 144 ASP N N 15 119.911 0.440 . 1 . . . . . 139 ASP N . 27563 1 544 . 1 1 145 145 LYS H H 1 7.014 0.007 . 1 . . . . . 140 LYS H . 27563 1 545 . 1 1 145 145 LYS C C 13 177.399 0.800 . 1 . . . . . 140 LYS C . 27563 1 546 . 1 1 145 145 LYS CA C 13 59.822 0.800 . 1 . . . . . 140 LYS CA . 27563 1 547 . 1 1 145 145 LYS CB C 13 31.396 0.800 . 1 . . . . . 140 LYS CB . 27563 1 548 . 1 1 145 145 LYS N N 15 119.019 0.440 . 1 . . . . . 140 LYS N . 27563 1 549 . 1 1 146 146 LYS H H 1 7.295 0.007 . 1 . . . . . 141 LYS H . 27563 1 550 . 1 1 146 146 LYS C C 13 178.447 0.800 . 1 . . . . . 141 LYS C . 27563 1 551 . 1 1 146 146 LYS CA C 13 59.689 0.800 . 1 . . . . . 141 LYS CA . 27563 1 552 . 1 1 146 146 LYS CB C 13 31.326 0.800 . 1 . . . . . 141 LYS CB . 27563 1 553 . 1 1 146 146 LYS N N 15 117.072 0.440 . 1 . . . . . 141 LYS N . 27563 1 554 . 1 1 147 147 ARG H H 1 7.502 0.007 . 1 . . . . . 142 ARG H . 27563 1 555 . 1 1 147 147 ARG C C 13 179.175 0.800 . 1 . . . . . 142 ARG C . 27563 1 556 . 1 1 147 147 ARG CA C 13 58.869 0.800 . 1 . . . . . 142 ARG CA . 27563 1 557 . 1 1 147 147 ARG CB C 13 28.951 0.800 . 1 . . . . . 142 ARG CB . 27563 1 558 . 1 1 147 147 ARG N N 15 118.774 0.440 . 1 . . . . . 142 ARG N . 27563 1 559 . 1 1 148 148 ILE H H 1 7.972 0.007 . 1 . . . . . 143 ILE H . 27563 1 560 . 1 1 148 148 ILE C C 13 178.272 0.800 . 1 . . . . . 143 ILE C . 27563 1 561 . 1 1 148 148 ILE CA C 13 64.818 0.800 . 1 . . . . . 143 ILE CA . 27563 1 562 . 1 1 148 148 ILE CB C 13 37.450 0.800 . 1 . . . . . 143 ILE CB . 27563 1 563 . 1 1 148 148 ILE N N 15 122.171 0.440 . 1 . . . . . 143 ILE N . 27563 1 564 . 1 1 149 149 ILE H H 1 8.544 0.007 . 1 . . . . . 144 ILE H . 27563 1 565 . 1 1 149 149 ILE C C 13 177.994 0.800 . 1 . . . . . 144 ILE C . 27563 1 566 . 1 1 149 149 ILE CA C 13 66.585 0.800 . 1 . . . . . 144 ILE CA . 27563 1 567 . 1 1 149 149 ILE CB C 13 36.873 0.800 . 1 . . . . . 144 ILE CB . 27563 1 568 . 1 1 149 149 ILE N N 15 121.919 0.440 . 1 . . . . . 144 ILE N . 27563 1 569 . 1 1 150 150 ASP H H 1 7.835 0.007 . 1 . . . . . 145 ASP H . 27563 1 570 . 1 1 150 150 ASP C C 13 179.464 0.800 . 1 . . . . . 145 ASP C . 27563 1 571 . 1 1 150 150 ASP CA C 13 57.178 0.800 . 1 . . . . . 145 ASP CA . 27563 1 572 . 1 1 150 150 ASP CB C 13 39.568 0.800 . 1 . . . . . 145 ASP CB . 27563 1 573 . 1 1 150 150 ASP N N 15 119.690 0.440 . 1 . . . . . 145 ASP N . 27563 1 574 . 1 1 151 151 SER H H 1 7.813 0.007 . 1 . . . . . 146 SER H . 27563 1 575 . 1 1 151 151 SER C C 13 176.333 0.800 . 1 . . . . . 146 SER C . 27563 1 576 . 1 1 151 151 SER CA C 13 62.129 0.800 . 1 . . . . . 146 SER CA . 27563 1 577 . 1 1 151 151 SER CB C 13 60.466 0.800 . 1 . . . . . 146 SER CB . 27563 1 578 . 1 1 151 151 SER N N 15 118.727 0.440 . 1 . . . . . 146 SER N . 27563 1 579 . 1 1 152 152 ALA H H 1 8.182 0.007 . 1 . . . . . 147 ALA H . 27563 1 580 . 1 1 152 152 ALA C C 13 177.397 0.800 . 1 . . . . . 147 ALA C . 27563 1 581 . 1 1 152 152 ALA CA C 13 54.816 0.800 . 1 . . . . . 147 ALA CA . 27563 1 582 . 1 1 152 152 ALA CB C 13 17.279 0.800 . 1 . . . . . 147 ALA CB . 27563 1 583 . 1 1 152 152 ALA N N 15 125.711 0.440 . 1 . . . . . 147 ALA N . 27563 1 584 . 1 1 153 153 ARG H H 1 8.405 0.007 . 1 . . . . . 148 ARG H . 27563 1 585 . 1 1 153 153 ARG C C 13 177.748 0.800 . 1 . . . . . 148 ARG C . 27563 1 586 . 1 1 153 153 ARG CA C 13 59.568 0.800 . 1 . . . . . 148 ARG CA . 27563 1 587 . 1 1 153 153 ARG CB C 13 29.438 0.800 . 1 . . . . . 148 ARG CB . 27563 1 588 . 1 1 153 153 ARG N N 15 116.817 0.440 . 1 . . . . . 148 ARG N . 27563 1 589 . 1 1 154 154 SER H H 1 8.002 0.007 . 1 . . . . . 149 SER H . 27563 1 590 . 1 1 154 154 SER C C 13 176.961 0.800 . 1 . . . . . 149 SER C . 27563 1 591 . 1 1 154 154 SER CA C 13 61.276 0.800 . 1 . . . . . 149 SER CA . 27563 1 592 . 1 1 154 154 SER CB C 13 62.375 0.800 . 1 . . . . . 149 SER CB . 27563 1 593 . 1 1 154 154 SER N N 15 111.956 0.440 . 1 . . . . . 149 SER N . 27563 1 594 . 1 1 155 155 ALA H H 1 7.203 0.007 . 1 . . . . . 150 ALA H . 27563 1 595 . 1 1 155 155 ALA CA C 13 54.912 0.800 . 1 . . . . . 150 ALA CA . 27563 1 596 . 1 1 155 155 ALA CB C 13 16.246 0.800 . 1 . . . . . 150 ALA CB . 27563 1 597 . 1 1 155 155 ALA N N 15 125.377 0.440 . 1 . . . . . 150 ALA N . 27563 1 598 . 1 1 164 164 LYS C C 13 178.165 0.800 . 1 . . . . . 159 LYS C . 27563 1 599 . 1 1 164 164 LYS CA C 13 58.794 0.800 . 1 . . . . . 159 LYS CA . 27563 1 600 . 1 1 164 164 LYS CB C 13 31.426 0.800 . 1 . . . . . 159 LYS CB . 27563 1 601 . 1 1 165 165 LYS H H 1 7.249 0.007 . 1 . . . . . 160 LYS H . 27563 1 602 . 1 1 165 165 LYS C C 13 178.739 0.800 . 1 . . . . . 160 LYS C . 27563 1 603 . 1 1 165 165 LYS CA C 13 57.566 0.800 . 1 . . . . . 160 LYS CA . 27563 1 604 . 1 1 165 165 LYS CB C 13 33.211 0.800 . 1 . . . . . 160 LYS CB . 27563 1 605 . 1 1 165 165 LYS N N 15 117.266 0.440 . 1 . . . . . 160 LYS N . 27563 1 606 . 1 1 166 166 GLU H H 1 7.946 0.007 . 1 . . . . . 161 GLU H . 27563 1 607 . 1 1 166 166 GLU C C 13 176.611 0.800 . 1 . . . . . 161 GLU C . 27563 1 608 . 1 1 166 166 GLU CA C 13 56.580 0.800 . 1 . . . . . 161 GLU CA . 27563 1 609 . 1 1 166 166 GLU CB C 13 31.719 0.800 . 1 . . . . . 161 GLU CB . 27563 1 610 . 1 1 166 166 GLU N N 15 113.393 0.440 . 1 . . . . . 161 GLU N . 27563 1 611 . 1 1 167 167 MET H H 1 8.104 0.007 . 1 . . . . . 162 MET H . 27563 1 612 . 1 1 167 167 MET CA C 13 52.906 0.800 . 1 . . . . . 162 MET CA . 27563 1 613 . 1 1 167 167 MET CB C 13 34.269 0.800 . 1 . . . . . 162 MET CB . 27563 1 614 . 1 1 167 167 MET N N 15 117.937 0.440 . 1 . . . . . 162 MET N . 27563 1 615 . 1 1 169 169 PRO C C 13 175.662 0.800 . 1 . . . . . 164 PRO C . 27563 1 616 . 1 1 169 169 PRO CA C 13 64.653 0.800 . 1 . . . . . 164 PRO CA . 27563 1 617 . 1 1 169 169 PRO CB C 13 31.845 0.800 . 1 . . . . . 164 PRO CB . 27563 1 618 . 1 1 170 170 THR H H 1 6.814 0.007 . 1 . . . . . 165 THR H . 27563 1 619 . 1 1 170 170 THR C C 13 174.116 0.800 . 1 . . . . . 165 THR C . 27563 1 620 . 1 1 170 170 THR CA C 13 60.070 0.800 . 1 . . . . . 165 THR CA . 27563 1 621 . 1 1 170 170 THR CB C 13 68.616 0.800 . 1 . . . . . 165 THR CB . 27563 1 622 . 1 1 170 170 THR N N 15 99.876 0.440 . 1 . . . . . 165 THR N . 27563 1 623 . 1 1 171 171 ASN H H 1 7.703 0.007 . 1 . . . . . 166 ASN H . 27563 1 624 . 1 1 171 171 ASN CA C 13 52.273 0.800 . 1 . . . . . 166 ASN CA . 27563 1 625 . 1 1 171 171 ASN CB C 13 40.137 0.800 . 1 . . . . . 166 ASN CB . 27563 1 626 . 1 1 171 171 ASN N N 15 124.504 0.440 . 1 . . . . . 166 ASN N . 27563 1 627 . 1 1 172 172 PRO C C 13 179.376 0.800 . 1 . . . . . 167 PRO C . 27563 1 628 . 1 1 172 172 PRO CA C 13 65.440 0.800 . 1 . . . . . 167 PRO CA . 27563 1 629 . 1 1 172 172 PRO CB C 13 31.497 0.800 . 1 . . . . . 167 PRO CB . 27563 1 630 . 1 1 173 173 ILE H H 1 8.304 0.007 . 1 . . . . . 168 ILE H . 27563 1 631 . 1 1 173 173 ILE C C 13 178.000 0.800 . 1 . . . . . 168 ILE C . 27563 1 632 . 1 1 173 173 ILE CA C 13 63.658 0.800 . 1 . . . . . 168 ILE CA . 27563 1 633 . 1 1 173 173 ILE CB C 13 35.247 0.800 . 1 . . . . . 168 ILE CB . 27563 1 634 . 1 1 173 173 ILE N N 15 122.012 0.440 . 1 . . . . . 168 ILE N . 27563 1 635 . 1 1 174 174 ARG H H 1 7.454 0.007 . 1 . . . . . 169 ARG H . 27563 1 636 . 1 1 174 174 ARG C C 13 177.854 0.800 . 1 . . . . . 169 ARG C . 27563 1 637 . 1 1 174 174 ARG CA C 13 59.565 0.800 . 1 . . . . . 169 ARG CA . 27563 1 638 . 1 1 174 174 ARG CB C 13 29.349 0.800 . 1 . . . . . 169 ARG CB . 27563 1 639 . 1 1 174 174 ARG N N 15 122.047 0.440 . 1 . . . . . 169 ARG N . 27563 1 640 . 1 1 175 175 LEU H H 1 8.509 0.007 . 1 . . . . . 170 LEU H . 27563 1 641 . 1 1 175 175 LEU C C 13 178.656 0.800 . 1 . . . . . 170 LEU C . 27563 1 642 . 1 1 175 175 LEU CA C 13 57.680 0.800 . 1 . . . . . 170 LEU CA . 27563 1 643 . 1 1 175 175 LEU CB C 13 41.863 0.800 . 1 . . . . . 170 LEU CB . 27563 1 644 . 1 1 175 175 LEU N N 15 117.565 0.440 . 1 . . . . . 170 LEU N . 27563 1 645 . 1 1 176 176 GLY H H 1 8.376 0.007 . 1 . . . . . 171 GLY H . 27563 1 646 . 1 1 176 176 GLY C C 13 176.129 0.800 . 1 . . . . . 171 GLY C . 27563 1 647 . 1 1 176 176 GLY CA C 13 46.445 0.800 . 1 . . . . . 171 GLY CA . 27563 1 648 . 1 1 176 176 GLY N N 15 106.983 0.440 . 1 . . . . . 171 GLY N . 27563 1 649 . 1 1 177 177 LEU H H 1 8.054 0.007 . 1 . . . . . 172 LEU H . 27563 1 650 . 1 1 177 177 LEU C C 13 176.759 0.800 . 1 . . . . . 172 LEU C . 27563 1 651 . 1 1 177 177 LEU CA C 13 57.753 0.800 . 1 . . . . . 172 LEU CA . 27563 1 652 . 1 1 177 177 LEU CB C 13 40.271 0.800 . 1 . . . . . 172 LEU CB . 27563 1 653 . 1 1 177 177 LEU N N 15 123.739 0.440 . 1 . . . . . 172 LEU N . 27563 1 654 . 1 1 178 178 ALA H H 1 7.964 0.007 . 1 . . . . . 173 ALA H . 27563 1 655 . 1 1 178 178 ALA C C 13 180.710 0.800 . 1 . . . . . 173 ALA C . 27563 1 656 . 1 1 178 178 ALA CA C 13 55.347 0.800 . 1 . . . . . 173 ALA CA . 27563 1 657 . 1 1 178 178 ALA CB C 13 19.025 0.800 . 1 . . . . . 173 ALA CB . 27563 1 658 . 1 1 178 178 ALA N N 15 121.640 0.440 . 1 . . . . . 173 ALA N . 27563 1 659 . 1 1 179 179 LEU H H 1 8.542 0.007 . 1 . . . . . 174 LEU H . 27563 1 660 . 1 1 179 179 LEU C C 13 180.479 0.800 . 1 . . . . . 174 LEU C . 27563 1 661 . 1 1 179 179 LEU CA C 13 58.216 0.800 . 1 . . . . . 174 LEU CA . 27563 1 662 . 1 1 179 179 LEU CB C 13 40.261 0.800 . 1 . . . . . 174 LEU CB . 27563 1 663 . 1 1 179 179 LEU N N 15 119.805 0.440 . 1 . . . . . 174 LEU N . 27563 1 664 . 1 1 180 180 ASN H H 1 8.115 0.007 . 1 . . . . . 175 ASN H . 27563 1 665 . 1 1 180 180 ASN C C 13 177.974 0.800 . 1 . . . . . 175 ASN C . 27563 1 666 . 1 1 180 180 ASN CA C 13 55.632 0.800 . 1 . . . . . 175 ASN CA . 27563 1 667 . 1 1 180 180 ASN CB C 13 36.047 0.800 . 1 . . . . . 175 ASN CB . 27563 1 668 . 1 1 180 180 ASN N N 15 119.972 0.440 . 1 . . . . . 175 ASN N . 27563 1 669 . 1 1 181 181 PHE H H 1 9.057 0.007 . 1 . . . . . 176 PHE H . 27563 1 670 . 1 1 181 181 PHE C C 13 177.231 0.800 . 1 . . . . . 176 PHE C . 27563 1 671 . 1 1 181 181 PHE CA C 13 55.078 0.800 . 1 . . . . . 176 PHE CA . 27563 1 672 . 1 1 181 181 PHE CB C 13 36.721 0.800 . 1 . . . . . 176 PHE CB . 27563 1 673 . 1 1 181 181 PHE N N 15 122.208 0.440 . 1 . . . . . 176 PHE N . 27563 1 674 . 1 1 182 182 SER H H 1 8.664 0.007 . 1 . . . . . 177 SER H . 27563 1 675 . 1 1 182 182 SER C C 13 175.747 0.800 . 1 . . . . . 177 SER C . 27563 1 676 . 1 1 182 182 SER CA C 13 63.755 0.800 . 1 . . . . . 177 SER CA . 27563 1 677 . 1 1 182 182 SER CB C 13 62.177 0.800 . 1 . . . . . 177 SER CB . 27563 1 678 . 1 1 182 182 SER N N 15 116.973 0.440 . 1 . . . . . 177 SER N . 27563 1 679 . 1 1 183 183 VAL H H 1 8.248 0.007 . 1 . . . . . 178 VAL H . 27563 1 680 . 1 1 183 183 VAL CA C 13 67.002 0.800 . 1 . . . . . 178 VAL CA . 27563 1 681 . 1 1 183 183 VAL CB C 13 30.807 0.800 . 1 . . . . . 178 VAL CB . 27563 1 682 . 1 1 183 183 VAL N N 15 123.565 0.440 . 1 . . . . . 178 VAL N . 27563 1 683 . 1 1 185 185 HIS C C 13 176.630 0.800 . 1 . . . . . 180 HIS C . 27563 1 684 . 1 1 185 185 HIS CA C 13 58.872 0.800 . 1 . . . . . 180 HIS CA . 27563 1 685 . 1 1 185 185 HIS CB C 13 30.532 0.800 . 1 . . . . . 180 HIS CB . 27563 1 686 . 1 1 186 186 TYR H H 1 7.851 0.007 . 1 . . . . . 181 TYR H . 27563 1 687 . 1 1 186 186 TYR C C 13 177.324 0.800 . 1 . . . . . 181 TYR C . 27563 1 688 . 1 1 186 186 TYR CA C 13 62.624 0.800 . 1 . . . . . 181 TYR CA . 27563 1 689 . 1 1 186 186 TYR CB C 13 39.060 0.800 . 1 . . . . . 181 TYR CB . 27563 1 690 . 1 1 186 186 TYR N N 15 118.137 0.440 . 1 . . . . . 181 TYR N . 27563 1 691 . 1 1 187 187 GLU H H 1 9.035 0.007 . 1 . . . . . 182 GLU H . 27563 1 692 . 1 1 187 187 GLU CA C 13 57.691 0.800 . 1 . . . . . 182 GLU CA . 27563 1 693 . 1 1 187 187 GLU CB C 13 30.469 0.800 . 1 . . . . . 182 GLU CB . 27563 1 694 . 1 1 187 187 GLU N N 15 113.896 0.440 . 1 . . . . . 182 GLU N . 27563 1 695 . 1 1 188 188 ILE C C 13 176.429 0.800 . 1 . . . . . 183 ILE C . 27563 1 696 . 1 1 188 188 ILE CA C 13 59.198 0.800 . 1 . . . . . 183 ILE CA . 27563 1 697 . 1 1 188 188 ILE CB C 13 34.915 0.800 . 1 . . . . . 183 ILE CB . 27563 1 698 . 1 1 189 189 ALA H H 1 7.331 0.007 . 1 . . . . . 184 ALA H . 27563 1 699 . 1 1 189 189 ALA C C 13 176.684 0.800 . 1 . . . . . 184 ALA C . 27563 1 700 . 1 1 189 189 ALA CA C 13 51.606 0.800 . 1 . . . . . 184 ALA CA . 27563 1 701 . 1 1 189 189 ALA CB C 13 18.348 0.800 . 1 . . . . . 184 ALA CB . 27563 1 702 . 1 1 189 189 ALA N N 15 118.861 0.440 . 1 . . . . . 184 ALA N . 27563 1 703 . 1 1 190 190 ASN H H 1 7.007 0.007 . 1 . . . . . 185 ASN H . 27563 1 704 . 1 1 190 190 ASN C C 13 173.586 0.800 . 1 . . . . . 185 ASN C . 27563 1 705 . 1 1 190 190 ASN CA C 13 53.490 0.800 . 1 . . . . . 185 ASN CA . 27563 1 706 . 1 1 190 190 ASN CB C 13 36.403 0.800 . 1 . . . . . 185 ASN CB . 27563 1 707 . 1 1 190 190 ASN N N 15 113.840 0.440 . 1 . . . . . 185 ASN N . 27563 1 708 . 1 1 191 191 SER H H 1 8.432 0.007 . 1 . . . . . 186 SER H . 27563 1 709 . 1 1 191 191 SER CA C 13 53.472 0.800 . 1 . . . . . 186 SER CA . 27563 1 710 . 1 1 191 191 SER CB C 13 62.482 0.800 . 1 . . . . . 186 SER CB . 27563 1 711 . 1 1 191 191 SER N N 15 112.170 0.440 . 1 . . . . . 186 SER N . 27563 1 712 . 1 1 192 192 PRO C C 13 177.962 0.800 . 1 . . . . . 187 PRO C . 27563 1 713 . 1 1 192 192 PRO CA C 13 64.819 0.800 . 1 . . . . . 187 PRO CA . 27563 1 714 . 1 1 192 192 PRO CB C 13 30.728 0.800 . 1 . . . . . 187 PRO CB . 27563 1 715 . 1 1 193 193 GLU H H 1 8.503 0.007 . 1 . . . . . 188 GLU H . 27563 1 716 . 1 1 193 193 GLU C C 13 180.087 0.800 . 1 . . . . . 188 GLU C . 27563 1 717 . 1 1 193 193 GLU CA C 13 59.806 0.800 . 1 . . . . . 188 GLU CA . 27563 1 718 . 1 1 193 193 GLU CB C 13 27.654 0.800 . 1 . . . . . 188 GLU CB . 27563 1 719 . 1 1 193 193 GLU N N 15 116.219 0.440 . 1 . . . . . 188 GLU N . 27563 1 720 . 1 1 194 194 GLU H H 1 7.179 0.007 . 1 . . . . . 189 GLU H . 27563 1 721 . 1 1 194 194 GLU C C 13 178.781 0.800 . 1 . . . . . 189 GLU C . 27563 1 722 . 1 1 194 194 GLU CA C 13 58.374 0.800 . 1 . . . . . 189 GLU CA . 27563 1 723 . 1 1 194 194 GLU CB C 13 27.761 0.800 . 1 . . . . . 189 GLU CB . 27563 1 724 . 1 1 194 194 GLU N N 15 119.119 0.440 . 1 . . . . . 189 GLU N . 27563 1 725 . 1 1 195 195 ALA H H 1 7.382 0.007 . 1 . . . . . 190 ALA H . 27563 1 726 . 1 1 195 195 ALA C C 13 178.941 0.800 . 1 . . . . . 190 ALA C . 27563 1 727 . 1 1 195 195 ALA CA C 13 55.554 0.800 . 1 . . . . . 190 ALA CA . 27563 1 728 . 1 1 195 195 ALA CB C 13 20.311 0.800 . 1 . . . . . 190 ALA CB . 27563 1 729 . 1 1 195 195 ALA N N 15 122.404 0.440 . 1 . . . . . 190 ALA N . 27563 1 730 . 1 1 196 196 ILE H H 1 8.405 0.007 . 1 . . . . . 191 ILE H . 27563 1 731 . 1 1 196 196 ILE C C 13 177.605 0.800 . 1 . . . . . 191 ILE C . 27563 1 732 . 1 1 196 196 ILE CA C 13 65.182 0.800 . 1 . . . . . 191 ILE CA . 27563 1 733 . 1 1 196 196 ILE CB C 13 38.140 0.800 . 1 . . . . . 191 ILE CB . 27563 1 734 . 1 1 196 196 ILE N N 15 118.055 0.440 . 1 . . . . . 191 ILE N . 27563 1 735 . 1 1 197 197 SER H H 1 7.822 0.007 . 1 . . . . . 192 SER H . 27563 1 736 . 1 1 197 197 SER C C 13 177.722 0.800 . 1 . . . . . 192 SER C . 27563 1 737 . 1 1 197 197 SER CA C 13 60.976 0.800 . 1 . . . . . 192 SER CA . 27563 1 738 . 1 1 197 197 SER CB C 13 62.288 0.800 . 1 . . . . . 192 SER CB . 27563 1 739 . 1 1 197 197 SER N N 15 112.831 0.440 . 1 . . . . . 192 SER N . 27563 1 740 . 1 1 198 198 LEU H H 1 7.899 0.007 . 1 . . . . . 193 LEU H . 27563 1 741 . 1 1 198 198 LEU C C 13 180.174 0.800 . 1 . . . . . 193 LEU C . 27563 1 742 . 1 1 198 198 LEU CA C 13 57.612 0.800 . 1 . . . . . 193 LEU CA . 27563 1 743 . 1 1 198 198 LEU CB C 13 40.239 0.800 . 1 . . . . . 193 LEU CB . 27563 1 744 . 1 1 198 198 LEU N N 15 121.911 0.440 . 1 . . . . . 193 LEU N . 27563 1 745 . 1 1 199 199 ALA H H 1 8.633 0.007 . 1 . . . . . 194 ALA H . 27563 1 746 . 1 1 199 199 ALA C C 13 178.587 0.800 . 1 . . . . . 194 ALA C . 27563 1 747 . 1 1 199 199 ALA CA C 13 56.006 0.800 . 1 . . . . . 194 ALA CA . 27563 1 748 . 1 1 199 199 ALA CB C 13 17.331 0.800 . 1 . . . . . 194 ALA CB . 27563 1 749 . 1 1 199 199 ALA N N 15 125.050 0.440 . 1 . . . . . 194 ALA N . 27563 1 750 . 1 1 200 200 LYS H H 1 8.977 0.007 . 1 . . . . . 195 LYS H . 27563 1 751 . 1 1 200 200 LYS C C 13 178.390 0.800 . 1 . . . . . 195 LYS C . 27563 1 752 . 1 1 200 200 LYS CA C 13 59.483 0.800 . 1 . . . . . 195 LYS CA . 27563 1 753 . 1 1 200 200 LYS CB C 13 31.852 0.800 . 1 . . . . . 195 LYS CB . 27563 1 754 . 1 1 200 200 LYS N N 15 118.306 0.440 . 1 . . . . . 195 LYS N . 27563 1 755 . 1 1 201 201 THR H H 1 8.227 0.007 . 1 . . . . . 196 THR H . 27563 1 756 . 1 1 201 201 THR C C 13 176.780 0.800 . 1 . . . . . 196 THR C . 27563 1 757 . 1 1 201 201 THR CA C 13 66.304 0.800 . 1 . . . . . 196 THR CA . 27563 1 758 . 1 1 201 201 THR CB C 13 68.640 0.800 . 1 . . . . . 196 THR CB . 27563 1 759 . 1 1 201 201 THR N N 15 114.166 0.440 . 1 . . . . . 196 THR N . 27563 1 760 . 1 1 202 202 THR H H 1 7.952 0.007 . 1 . . . . . 197 THR H . 27563 1 761 . 1 1 202 202 THR C C 13 176.408 0.800 . 1 . . . . . 197 THR C . 27563 1 762 . 1 1 202 202 THR CA C 13 66.225 0.800 . 1 . . . . . 197 THR CA . 27563 1 763 . 1 1 202 202 THR CB C 13 68.087 0.800 . 1 . . . . . 197 THR CB . 27563 1 764 . 1 1 202 202 THR N N 15 117.287 0.440 . 1 . . . . . 197 THR N . 27563 1 765 . 1 1 203 203 PHE H H 1 8.424 0.007 . 1 . . . . . 198 PHE H . 27563 1 766 . 1 1 203 203 PHE C C 13 176.330 0.800 . 1 . . . . . 198 PHE C . 27563 1 767 . 1 1 203 203 PHE CA C 13 62.442 0.800 . 1 . . . . . 198 PHE CA . 27563 1 768 . 1 1 203 203 PHE CB C 13 39.060 0.800 . 1 . . . . . 198 PHE CB . 27563 1 769 . 1 1 203 203 PHE N N 15 123.112 0.440 . 1 . . . . . 198 PHE N . 27563 1 770 . 1 1 204 204 ASP H H 1 8.841 0.007 . 1 . . . . . 199 ASP H . 27563 1 771 . 1 1 204 204 ASP C C 13 180.274 0.800 . 1 . . . . . 199 ASP C . 27563 1 772 . 1 1 204 204 ASP CA C 13 57.301 0.800 . 1 . . . . . 199 ASP CA . 27563 1 773 . 1 1 204 204 ASP CB C 13 39.166 0.800 . 1 . . . . . 199 ASP CB . 27563 1 774 . 1 1 204 204 ASP N N 15 119.622 0.440 . 1 . . . . . 199 ASP N . 27563 1 775 . 1 1 205 205 GLU H H 1 8.399 0.007 . 1 . . . . . 200 GLU H . 27563 1 776 . 1 1 205 205 GLU C C 13 179.045 0.800 . 1 . . . . . 200 GLU C . 27563 1 777 . 1 1 205 205 GLU CA C 13 58.947 0.800 . 1 . . . . . 200 GLU CA . 27563 1 778 . 1 1 205 205 GLU CB C 13 28.420 0.800 . 1 . . . . . 200 GLU CB . 27563 1 779 . 1 1 205 205 GLU N N 15 119.994 0.440 . 1 . . . . . 200 GLU N . 27563 1 780 . 1 1 206 206 ALA H H 1 7.597 0.007 . 1 . . . . . 201 ALA H . 27563 1 781 . 1 1 206 206 ALA C C 13 179.121 0.800 . 1 . . . . . 201 ALA C . 27563 1 782 . 1 1 206 206 ALA CA C 13 54.303 0.800 . 1 . . . . . 201 ALA CA . 27563 1 783 . 1 1 206 206 ALA CB C 13 17.696 0.800 . 1 . . . . . 201 ALA CB . 27563 1 784 . 1 1 206 206 ALA N N 15 121.324 0.440 . 1 . . . . . 201 ALA N . 27563 1 785 . 1 1 207 207 MET H H 1 8.226 0.007 . 1 . . . . . 202 MET H . 27563 1 786 . 1 1 207 207 MET C C 13 178.883 0.800 . 1 . . . . . 202 MET C . 27563 1 787 . 1 1 207 207 MET CA C 13 56.470 0.800 . 1 . . . . . 202 MET CA . 27563 1 788 . 1 1 207 207 MET CB C 13 30.345 0.800 . 1 . . . . . 202 MET CB . 27563 1 789 . 1 1 207 207 MET N N 15 116.591 0.440 . 1 . . . . . 202 MET N . 27563 1 790 . 1 1 208 208 ALA H H 1 7.346 0.007 . 1 . . . . . 203 ALA H . 27563 1 791 . 1 1 208 208 ALA C C 13 177.886 0.800 . 1 . . . . . 203 ALA C . 27563 1 792 . 1 1 208 208 ALA CA C 13 53.845 0.800 . 1 . . . . . 203 ALA CA . 27563 1 793 . 1 1 208 208 ALA CB C 13 17.468 0.800 . 1 . . . . . 203 ALA CB . 27563 1 794 . 1 1 208 208 ALA N N 15 119.640 0.440 . 1 . . . . . 203 ALA N . 27563 1 795 . 1 1 209 209 ASP H H 1 7.127 0.007 . 1 . . . . . 204 ASP H . 27563 1 796 . 1 1 209 209 ASP C C 13 177.906 0.800 . 1 . . . . . 204 ASP C . 27563 1 797 . 1 1 209 209 ASP CA C 13 53.505 0.800 . 1 . . . . . 204 ASP CA . 27563 1 798 . 1 1 209 209 ASP CB C 13 42.529 0.800 . 1 . . . . . 204 ASP CB . 27563 1 799 . 1 1 209 209 ASP N N 15 116.001 0.440 . 1 . . . . . 204 ASP N . 27563 1 800 . 1 1 210 210 LEU H H 1 7.508 0.007 . 1 . . . . . 205 LEU H . 27563 1 801 . 1 1 210 210 LEU CA C 13 57.933 0.800 . 1 . . . . . 205 LEU CA . 27563 1 802 . 1 1 210 210 LEU CB C 13 41.402 0.800 . 1 . . . . . 205 LEU CB . 27563 1 803 . 1 1 210 210 LEU N N 15 123.634 0.440 . 1 . . . . . 205 LEU N . 27563 1 804 . 1 1 211 211 HIS C C 13 175.926 0.800 . 1 . . . . . 206 HIS C . 27563 1 805 . 1 1 211 211 HIS CA C 13 57.647 0.800 . 1 . . . . . 206 HIS CA . 27563 1 806 . 1 1 211 211 HIS CB C 13 28.671 0.800 . 1 . . . . . 206 HIS CB . 27563 1 807 . 1 1 212 212 THR H H 1 7.510 0.007 . 1 . . . . . 207 THR H . 27563 1 808 . 1 1 212 212 THR C C 13 174.929 0.800 . 1 . . . . . 207 THR C . 27563 1 809 . 1 1 212 212 THR CA C 13 61.867 0.800 . 1 . . . . . 207 THR CA . 27563 1 810 . 1 1 212 212 THR CB C 13 69.259 0.800 . 1 . . . . . 207 THR CB . 27563 1 811 . 1 1 212 212 THR N N 15 111.663 0.440 . 1 . . . . . 207 THR N . 27563 1 812 . 1 1 213 213 LEU H H 1 7.397 0.007 . 1 . . . . . 208 LEU H . 27563 1 813 . 1 1 213 213 LEU C C 13 177.239 0.800 . 1 . . . . . 208 LEU C . 27563 1 814 . 1 1 213 213 LEU CA C 13 54.653 0.800 . 1 . . . . . 208 LEU CA . 27563 1 815 . 1 1 213 213 LEU CB C 13 42.102 0.800 . 1 . . . . . 208 LEU CB . 27563 1 816 . 1 1 213 213 LEU N N 15 122.907 0.440 . 1 . . . . . 208 LEU N . 27563 1 817 . 1 1 214 214 SER H H 1 8.330 0.007 . 1 . . . . . 209 SER H . 27563 1 818 . 1 1 214 214 SER C C 13 175.015 0.800 . 1 . . . . . 209 SER C . 27563 1 819 . 1 1 214 214 SER CA C 13 57.399 0.800 . 1 . . . . . 209 SER CA . 27563 1 820 . 1 1 214 214 SER CB C 13 63.783 0.800 . 1 . . . . . 209 SER CB . 27563 1 821 . 1 1 214 214 SER N N 15 117.779 0.440 . 1 . . . . . 209 SER N . 27563 1 822 . 1 1 215 215 GLU H H 1 8.762 0.007 . 1 . . . . . 210 GLU H . 27563 1 823 . 1 1 215 215 GLU C C 13 178.181 0.800 . 1 . . . . . 210 GLU C . 27563 1 824 . 1 1 215 215 GLU CA C 13 59.078 0.800 . 1 . . . . . 210 GLU CA . 27563 1 825 . 1 1 215 215 GLU CB C 13 28.784 0.800 . 1 . . . . . 210 GLU CB . 27563 1 826 . 1 1 215 215 GLU N N 15 122.393 0.440 . 1 . . . . . 210 GLU N . 27563 1 827 . 1 1 216 216 ASP H H 1 8.426 0.007 . 1 . . . . . 211 ASP H . 27563 1 828 . 1 1 216 216 ASP C C 13 177.732 0.800 . 1 . . . . . 211 ASP C . 27563 1 829 . 1 1 216 216 ASP CA C 13 56.179 0.800 . 1 . . . . . 211 ASP CA . 27563 1 830 . 1 1 216 216 ASP CB C 13 39.783 0.800 . 1 . . . . . 211 ASP CB . 27563 1 831 . 1 1 216 216 ASP N N 15 118.147 0.440 . 1 . . . . . 211 ASP N . 27563 1 832 . 1 1 217 217 SER H H 1 7.749 0.007 . 1 . . . . . 212 SER H . 27563 1 833 . 1 1 217 217 SER C C 13 175.225 0.800 . 1 . . . . . 212 SER C . 27563 1 834 . 1 1 217 217 SER CA C 13 59.641 0.800 . 1 . . . . . 212 SER CA . 27563 1 835 . 1 1 217 217 SER CB C 13 63.385 0.800 . 1 . . . . . 212 SER CB . 27563 1 836 . 1 1 217 217 SER N N 15 115.097 0.440 . 1 . . . . . 212 SER N . 27563 1 837 . 1 1 218 218 TYR H H 1 8.203 0.007 . 1 . . . . . 213 TYR H . 27563 1 838 . 1 1 218 218 TYR C C 13 177.968 0.800 . 1 . . . . . 213 TYR C . 27563 1 839 . 1 1 218 218 TYR CA C 13 60.733 0.800 . 1 . . . . . 213 TYR CA . 27563 1 840 . 1 1 218 218 TYR CB C 13 37.822 0.800 . 1 . . . . . 213 TYR CB . 27563 1 841 . 1 1 218 218 TYR N N 15 122.449 0.440 . 1 . . . . . 213 TYR N . 27563 1 842 . 1 1 219 219 LYS H H 1 8.172 0.007 . 1 . . . . . 214 LYS H . 27563 1 843 . 1 1 219 219 LYS C C 13 178.109 0.800 . 1 . . . . . 214 LYS C . 27563 1 844 . 1 1 219 219 LYS CA C 13 59.390 0.800 . 1 . . . . . 214 LYS CA . 27563 1 845 . 1 1 219 219 LYS CB C 13 30.965 0.800 . 1 . . . . . 214 LYS CB . 27563 1 846 . 1 1 219 219 LYS N N 15 121.667 0.440 . 1 . . . . . 214 LYS N . 27563 1 847 . 1 1 220 220 ASP H H 1 7.985 0.007 . 1 . . . . . 215 ASP H . 27563 1 848 . 1 1 220 220 ASP C C 13 179.095 0.800 . 1 . . . . . 215 ASP C . 27563 1 849 . 1 1 220 220 ASP CA C 13 56.812 0.800 . 1 . . . . . 215 ASP CA . 27563 1 850 . 1 1 220 220 ASP CB C 13 39.847 0.800 . 1 . . . . . 215 ASP CB . 27563 1 851 . 1 1 220 220 ASP N N 15 118.505 0.440 . 1 . . . . . 215 ASP N . 27563 1 852 . 1 1 221 221 SER H H 1 8.241 0.007 . 1 . . . . . 216 SER H . 27563 1 853 . 1 1 221 221 SER C C 13 176.183 0.800 . 1 . . . . . 216 SER C . 27563 1 854 . 1 1 221 221 SER CA C 13 63.147 0.800 . 1 . . . . . 216 SER CA . 27563 1 855 . 1 1 221 221 SER CB C 13 61.995 0.800 . 1 . . . . . 216 SER CB . 27563 1 856 . 1 1 221 221 SER N N 15 114.742 0.440 . 1 . . . . . 216 SER N . 27563 1 857 . 1 1 222 222 THR H H 1 8.152 0.007 . 1 . . . . . 217 THR H . 27563 1 858 . 1 1 222 222 THR C C 13 177.284 0.800 . 1 . . . . . 217 THR C . 27563 1 859 . 1 1 222 222 THR CA C 13 65.803 0.800 . 1 . . . . . 217 THR CA . 27563 1 860 . 1 1 222 222 THR CB C 13 68.196 0.800 . 1 . . . . . 217 THR CB . 27563 1 861 . 1 1 222 222 THR N N 15 114.890 0.440 . 1 . . . . . 217 THR N . 27563 1 862 . 1 1 223 223 LEU H H 1 7.591 0.007 . 1 . . . . . 218 LEU H . 27563 1 863 . 1 1 223 223 LEU C C 13 179.212 0.800 . 1 . . . . . 218 LEU C . 27563 1 864 . 1 1 223 223 LEU CA C 13 58.212 0.800 . 1 . . . . . 218 LEU CA . 27563 1 865 . 1 1 223 223 LEU CB C 13 40.718 0.800 . 1 . . . . . 218 LEU CB . 27563 1 866 . 1 1 223 223 LEU N N 15 123.499 0.440 . 1 . . . . . 218 LEU N . 27563 1 867 . 1 1 224 224 ILE H H 1 7.149 0.007 . 1 . . . . . 219 ILE H . 27563 1 868 . 1 1 224 224 ILE C C 13 178.664 0.800 . 1 . . . . . 219 ILE C . 27563 1 869 . 1 1 224 224 ILE CA C 13 64.072 0.800 . 1 . . . . . 219 ILE CA . 27563 1 870 . 1 1 224 224 ILE CB C 13 36.524 0.800 . 1 . . . . . 219 ILE CB . 27563 1 871 . 1 1 224 224 ILE N N 15 117.752 0.440 . 1 . . . . . 219 ILE N . 27563 1 872 . 1 1 225 225 MET H H 1 8.217 0.007 . 1 . . . . . 220 MET H . 27563 1 873 . 1 1 225 225 MET CA C 13 59.435 0.800 . 1 . . . . . 220 MET CA . 27563 1 874 . 1 1 225 225 MET CB C 13 32.166 0.800 . 1 . . . . . 220 MET CB . 27563 1 875 . 1 1 225 225 MET N N 15 118.634 0.440 . 1 . . . . . 220 MET N . 27563 1 876 . 1 1 228 228 LEU C C 13 178.066 0.800 . 1 . . . . . 223 LEU C . 27563 1 877 . 1 1 228 228 LEU CA C 13 58.204 0.800 . 1 . . . . . 223 LEU CA . 27563 1 878 . 1 1 228 228 LEU CB C 13 41.770 0.800 . 1 . . . . . 223 LEU CB . 27563 1 879 . 1 1 229 229 ARG H H 1 7.938 0.007 . 1 . . . . . 224 ARG H . 27563 1 880 . 1 1 229 229 ARG C C 13 178.837 0.800 . 1 . . . . . 224 ARG C . 27563 1 881 . 1 1 229 229 ARG CA C 13 58.300 0.800 . 1 . . . . . 224 ARG CA . 27563 1 882 . 1 1 229 229 ARG CB C 13 28.617 0.800 . 1 . . . . . 224 ARG CB . 27563 1 883 . 1 1 229 229 ARG N N 15 119.109 0.440 . 1 . . . . . 224 ARG N . 27563 1 884 . 1 1 230 230 ASP H H 1 8.688 0.007 . 1 . . . . . 225 ASP H . 27563 1 885 . 1 1 230 230 ASP C C 13 179.285 0.800 . 1 . . . . . 225 ASP C . 27563 1 886 . 1 1 230 230 ASP CA C 13 56.818 0.800 . 1 . . . . . 225 ASP CA . 27563 1 887 . 1 1 230 230 ASP CB C 13 39.022 0.800 . 1 . . . . . 225 ASP CB . 27563 1 888 . 1 1 230 230 ASP N N 15 121.722 0.440 . 1 . . . . . 225 ASP N . 27563 1 889 . 1 1 231 231 ASN H H 1 7.474 0.007 . 1 . . . . . 226 ASN H . 27563 1 890 . 1 1 231 231 ASN C C 13 175.552 0.800 . 1 . . . . . 226 ASN C . 27563 1 891 . 1 1 231 231 ASN CA C 13 54.982 0.800 . 1 . . . . . 226 ASN CA . 27563 1 892 . 1 1 231 231 ASN CB C 13 35.253 0.800 . 1 . . . . . 226 ASN CB . 27563 1 893 . 1 1 231 231 ASN N N 15 120.179 0.440 . 1 . . . . . 226 ASN N . 27563 1 894 . 1 1 232 232 LEU H H 1 7.672 0.007 . 1 . . . . . 227 LEU H . 27563 1 895 . 1 1 232 232 LEU C C 13 179.746 0.800 . 1 . . . . . 227 LEU C . 27563 1 896 . 1 1 232 232 LEU CA C 13 58.189 0.800 . 1 . . . . . 227 LEU CA . 27563 1 897 . 1 1 232 232 LEU CB C 13 40.450 0.800 . 1 . . . . . 227 LEU CB . 27563 1 898 . 1 1 232 232 LEU N N 15 118.767 0.440 . 1 . . . . . 227 LEU N . 27563 1 899 . 1 1 233 233 THR H H 1 7.861 0.007 . 1 . . . . . 228 THR H . 27563 1 900 . 1 1 233 233 THR C C 13 175.440 0.800 . 1 . . . . . 228 THR C . 27563 1 901 . 1 1 233 233 THR CA C 13 65.390 0.800 . 1 . . . . . 228 THR CA . 27563 1 902 . 1 1 233 233 THR CB C 13 68.248 0.800 . 1 . . . . . 228 THR CB . 27563 1 903 . 1 1 233 233 THR N N 15 115.627 0.440 . 1 . . . . . 228 THR N . 27563 1 904 . 1 1 234 234 LEU H H 1 7.158 0.007 . 1 . . . . . 229 LEU H . 27563 1 905 . 1 1 234 234 LEU C C 13 179.459 0.800 . 1 . . . . . 229 LEU C . 27563 1 906 . 1 1 234 234 LEU CA C 13 56.632 0.800 . 1 . . . . . 229 LEU CA . 27563 1 907 . 1 1 234 234 LEU CB C 13 41.224 0.800 . 1 . . . . . 229 LEU CB . 27563 1 908 . 1 1 234 234 LEU N N 15 122.217 0.440 . 1 . . . . . 229 LEU N . 27563 1 909 . 1 1 235 235 TRP H H 1 8.061 0.007 . 1 . . . . . 230 TRP H . 27563 1 910 . 1 1 235 235 TRP C C 13 176.772 0.800 . 1 . . . . . 230 TRP C . 27563 1 911 . 1 1 235 235 TRP CA C 13 55.478 0.800 . 1 . . . . . 230 TRP CA . 27563 1 912 . 1 1 235 235 TRP CB C 13 30.524 0.800 . 1 . . . . . 230 TRP CB . 27563 1 913 . 1 1 235 235 TRP N N 15 118.638 0.440 . 1 . . . . . 230 TRP N . 27563 1 914 . 1 1 236 236 THR H H 1 7.443 0.007 . 1 . . . . . 231 THR H . 27563 1 915 . 1 1 236 236 THR CA C 13 63.122 0.800 . 1 . . . . . 231 THR CA . 27563 1 916 . 1 1 236 236 THR CB C 13 70.861 0.800 . 1 . . . . . 231 THR CB . 27563 1 917 . 1 1 236 236 THR N N 15 116.297 0.440 . 1 . . . . . 231 THR N . 27563 1 stop_ save_