data_12009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12009 _Entry.Title ; Backbone assignment of the N-terminal ubiquitin C-terminal hydrolase domain of UCH37 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-07 _Entry.Accession_date 2017-03-07 _Entry.Last_release_date 2017-03-07 _Entry.Original_release_date 2017-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _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 Yun-Tzai Lee . . . . 12009 2 Chia-Yun Chang . . . . 12009 3 'Shang-Te Danny' Hsu . . . . 12009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 576 12009 '15N chemical shifts' 220 12009 '1H chemical shifts' 220 12009 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-12-11 . original BMRB . 12009 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12009 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep45174 _Citation.PubMed_ID 28338014 _Citation.Full_citation . _Citation.Title ; Entropic stabilization of a deubiquitinase provides conformational plasticity and slow unfolding kinetics beneficial for functioning on the proteasome. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 45174 _Citation.Page_last 45174 _Citation.Year 2017 _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 Yun-Tzai Lee . Cloud . . 12009 1 2 Chia-Yun Chang . . . . 12009 1 3 Szu-Yu Chen . . . . 12009 1 4 Yun-Ru Pan . . . . 12009 1 5 Meng-Ru Ho . . . . 12009 1 6 Shang-Te Hsu . Danny . . 12009 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Knotted protein' 12009 1 'Protein folding' 12009 1 'Ubiquitin C-terminal hydrolyase' 12009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12009 _Assembly.ID 1 _Assembly.Name UCHL5N240 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Human ubiquitin C-terminal hydrolase, UCH-L5' _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 UCHL5N240 1 $UCHL5N240 A . yes native no no . . . 12009 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 3A7S . . X-ray . 'apo-form of UCH-L5' . 12009 1 yes PDB 3IHR . . X-ray . 'apo-form of UCH-L5' . 12009 1 yes PDB 3RII . . X-ray . 'apo-form of UCH-L5' . 12009 1 yes PDB 3TB3 . . X-ray . 'Cross-over loop truncation form of UCH-L5' . 12009 1 yes PDB 4UEL . . X-ray . 'Full-length UCH-L5 in complex with Rpn13 and ubiquitin' . 12009 1 yes PDB 4UEM . . X-ray . 'Full-length UCH-L5 in complex with Rpn13' . 12009 1 yes PDB 4UF5 . . X-ray . 'Full-length UCH-L5 in complex with INO80' . 12009 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ubiquitin C-terminal hydrolase' 12009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UCHL5N240 _Entity.Sf_category entity _Entity.Sf_framecode UCHL5N240 _Entity.Entry_ID 12009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UCHL5N240 _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 ; GPLGSMTGNAGEWCLMESDP GVFTELIKGFGCRGAQVEEI WSLEPENFEKLKPVHGLIFL FKWQPGEEPAGSVVQDSRLD TIFFAKQVINNACATQAIVS VLLNCTHQDVHLGETLSEFK EFSQSFDAAMKGLALSNSDV IRQVHNSFARQQMFEFDTKT SAKEEDAFHFVSYVPVNGRL YELDGLREGPIDLGACNQDD WISAVRPVIEKRIQKYSEGE IRFNLMAIVSDRKMIYEQKI AELQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 245 _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 'Ubiquitin C-terminal hydrolyase' 12009 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 . GLY . 12009 1 2 . PRO . 12009 1 3 . LEU . 12009 1 4 . GLY . 12009 1 5 . SER . 12009 1 6 1 MET . 12009 1 7 2 THR . 12009 1 8 3 GLY . 12009 1 9 4 ASN . 12009 1 10 5 ALA . 12009 1 11 6 GLY . 12009 1 12 7 GLU . 12009 1 13 8 TRP . 12009 1 14 9 CYS . 12009 1 15 10 LEU . 12009 1 16 11 MET . 12009 1 17 12 GLU . 12009 1 18 13 SER . 12009 1 19 14 ASP . 12009 1 20 15 PRO . 12009 1 21 16 GLY . 12009 1 22 17 VAL . 12009 1 23 18 PHE . 12009 1 24 19 THR . 12009 1 25 20 GLU . 12009 1 26 21 LEU . 12009 1 27 22 ILE . 12009 1 28 23 LYS . 12009 1 29 24 GLY . 12009 1 30 25 PHE . 12009 1 31 26 GLY . 12009 1 32 27 CYS . 12009 1 33 28 ARG . 12009 1 34 29 GLY . 12009 1 35 30 ALA . 12009 1 36 31 GLN . 12009 1 37 32 VAL . 12009 1 38 33 GLU . 12009 1 39 34 GLU . 12009 1 40 35 ILE . 12009 1 41 36 TRP . 12009 1 42 37 SER . 12009 1 43 38 LEU . 12009 1 44 39 GLU . 12009 1 45 40 PRO . 12009 1 46 41 GLU . 12009 1 47 42 ASN . 12009 1 48 43 PHE . 12009 1 49 44 GLU . 12009 1 50 45 LYS . 12009 1 51 46 LEU . 12009 1 52 47 LYS . 12009 1 53 48 PRO . 12009 1 54 49 VAL . 12009 1 55 50 HIS . 12009 1 56 51 GLY . 12009 1 57 52 LEU . 12009 1 58 53 ILE . 12009 1 59 54 PHE . 12009 1 60 55 LEU . 12009 1 61 56 PHE . 12009 1 62 57 LYS . 12009 1 63 58 TRP . 12009 1 64 59 GLN . 12009 1 65 60 PRO . 12009 1 66 61 GLY . 12009 1 67 62 GLU . 12009 1 68 63 GLU . 12009 1 69 64 PRO . 12009 1 70 65 ALA . 12009 1 71 66 GLY . 12009 1 72 67 SER . 12009 1 73 68 VAL . 12009 1 74 69 VAL . 12009 1 75 70 GLN . 12009 1 76 71 ASP . 12009 1 77 72 SER . 12009 1 78 73 ARG . 12009 1 79 74 LEU . 12009 1 80 75 ASP . 12009 1 81 76 THR . 12009 1 82 77 ILE . 12009 1 83 78 PHE . 12009 1 84 79 PHE . 12009 1 85 80 ALA . 12009 1 86 81 LYS . 12009 1 87 82 GLN . 12009 1 88 83 VAL . 12009 1 89 84 ILE . 12009 1 90 85 ASN . 12009 1 91 86 ASN . 12009 1 92 87 ALA . 12009 1 93 88 CYS . 12009 1 94 89 ALA . 12009 1 95 90 THR . 12009 1 96 91 GLN . 12009 1 97 92 ALA . 12009 1 98 93 ILE . 12009 1 99 94 VAL . 12009 1 100 95 SER . 12009 1 101 96 VAL . 12009 1 102 97 LEU . 12009 1 103 98 LEU . 12009 1 104 99 ASN . 12009 1 105 100 CYS . 12009 1 106 101 THR . 12009 1 107 102 HIS . 12009 1 108 103 GLN . 12009 1 109 104 ASP . 12009 1 110 105 VAL . 12009 1 111 106 HIS . 12009 1 112 107 LEU . 12009 1 113 108 GLY . 12009 1 114 109 GLU . 12009 1 115 110 THR . 12009 1 116 111 LEU . 12009 1 117 112 SER . 12009 1 118 113 GLU . 12009 1 119 114 PHE . 12009 1 120 115 LYS . 12009 1 121 116 GLU . 12009 1 122 117 PHE . 12009 1 123 118 SER . 12009 1 124 119 GLN . 12009 1 125 120 SER . 12009 1 126 121 PHE . 12009 1 127 122 ASP . 12009 1 128 123 ALA . 12009 1 129 124 ALA . 12009 1 130 125 MET . 12009 1 131 126 LYS . 12009 1 132 127 GLY . 12009 1 133 128 LEU . 12009 1 134 129 ALA . 12009 1 135 130 LEU . 12009 1 136 131 SER . 12009 1 137 132 ASN . 12009 1 138 133 SER . 12009 1 139 134 ASP . 12009 1 140 135 VAL . 12009 1 141 136 ILE . 12009 1 142 137 ARG . 12009 1 143 138 GLN . 12009 1 144 139 VAL . 12009 1 145 140 HIS . 12009 1 146 141 ASN . 12009 1 147 142 SER . 12009 1 148 143 PHE . 12009 1 149 144 ALA . 12009 1 150 145 ARG . 12009 1 151 146 GLN . 12009 1 152 147 GLN . 12009 1 153 148 MET . 12009 1 154 149 PHE . 12009 1 155 150 GLU . 12009 1 156 151 PHE . 12009 1 157 152 ASP . 12009 1 158 153 THR . 12009 1 159 154 LYS . 12009 1 160 155 THR . 12009 1 161 156 SER . 12009 1 162 157 ALA . 12009 1 163 158 LYS . 12009 1 164 159 GLU . 12009 1 165 160 GLU . 12009 1 166 161 ASP . 12009 1 167 162 ALA . 12009 1 168 163 PHE . 12009 1 169 164 HIS . 12009 1 170 165 PHE . 12009 1 171 166 VAL . 12009 1 172 167 SER . 12009 1 173 168 TYR . 12009 1 174 169 VAL . 12009 1 175 170 PRO . 12009 1 176 171 VAL . 12009 1 177 172 ASN . 12009 1 178 173 GLY . 12009 1 179 174 ARG . 12009 1 180 175 LEU . 12009 1 181 176 TYR . 12009 1 182 177 GLU . 12009 1 183 178 LEU . 12009 1 184 179 ASP . 12009 1 185 180 GLY . 12009 1 186 181 LEU . 12009 1 187 182 ARG . 12009 1 188 183 GLU . 12009 1 189 184 GLY . 12009 1 190 185 PRO . 12009 1 191 186 ILE . 12009 1 192 187 ASP . 12009 1 193 188 LEU . 12009 1 194 189 GLY . 12009 1 195 190 ALA . 12009 1 196 191 CYS . 12009 1 197 192 ASN . 12009 1 198 193 GLN . 12009 1 199 194 ASP . 12009 1 200 195 ASP . 12009 1 201 196 TRP . 12009 1 202 197 ILE . 12009 1 203 198 SER . 12009 1 204 199 ALA . 12009 1 205 200 VAL . 12009 1 206 201 ARG . 12009 1 207 202 PRO . 12009 1 208 203 VAL . 12009 1 209 204 ILE . 12009 1 210 205 GLU . 12009 1 211 206 LYS . 12009 1 212 207 ARG . 12009 1 213 208 ILE . 12009 1 214 209 GLN . 12009 1 215 210 LYS . 12009 1 216 211 TYR . 12009 1 217 212 SER . 12009 1 218 213 GLU . 12009 1 219 214 GLY . 12009 1 220 215 GLU . 12009 1 221 216 ILE . 12009 1 222 217 ARG . 12009 1 223 218 PHE . 12009 1 224 219 ASN . 12009 1 225 220 LEU . 12009 1 226 221 MET . 12009 1 227 222 ALA . 12009 1 228 223 ILE . 12009 1 229 224 VAL . 12009 1 230 225 SER . 12009 1 231 226 ASP . 12009 1 232 227 ARG . 12009 1 233 228 LYS . 12009 1 234 229 MET . 12009 1 235 230 ILE . 12009 1 236 231 TYR . 12009 1 237 232 GLU . 12009 1 238 233 GLN . 12009 1 239 234 LYS . 12009 1 240 235 ILE . 12009 1 241 236 ALA . 12009 1 242 237 GLU . 12009 1 243 238 LEU . 12009 1 244 239 GLN . 12009 1 245 240 ARG . 12009 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 12009 1 . PRO 2 2 12009 1 . LEU 3 3 12009 1 . GLY 4 4 12009 1 . SER 5 5 12009 1 . MET 6 6 12009 1 . THR 7 7 12009 1 . GLY 8 8 12009 1 . ASN 9 9 12009 1 . ALA 10 10 12009 1 . GLY 11 11 12009 1 . GLU 12 12 12009 1 . TRP 13 13 12009 1 . CYS 14 14 12009 1 . LEU 15 15 12009 1 . MET 16 16 12009 1 . GLU 17 17 12009 1 . SER 18 18 12009 1 . ASP 19 19 12009 1 . PRO 20 20 12009 1 . GLY 21 21 12009 1 . VAL 22 22 12009 1 . PHE 23 23 12009 1 . THR 24 24 12009 1 . GLU 25 25 12009 1 . LEU 26 26 12009 1 . ILE 27 27 12009 1 . LYS 28 28 12009 1 . GLY 29 29 12009 1 . PHE 30 30 12009 1 . GLY 31 31 12009 1 . CYS 32 32 12009 1 . ARG 33 33 12009 1 . GLY 34 34 12009 1 . ALA 35 35 12009 1 . GLN 36 36 12009 1 . VAL 37 37 12009 1 . GLU 38 38 12009 1 . GLU 39 39 12009 1 . ILE 40 40 12009 1 . TRP 41 41 12009 1 . SER 42 42 12009 1 . LEU 43 43 12009 1 . GLU 44 44 12009 1 . PRO 45 45 12009 1 . GLU 46 46 12009 1 . ASN 47 47 12009 1 . PHE 48 48 12009 1 . GLU 49 49 12009 1 . LYS 50 50 12009 1 . LEU 51 51 12009 1 . LYS 52 52 12009 1 . PRO 53 53 12009 1 . VAL 54 54 12009 1 . HIS 55 55 12009 1 . GLY 56 56 12009 1 . LEU 57 57 12009 1 . ILE 58 58 12009 1 . PHE 59 59 12009 1 . LEU 60 60 12009 1 . PHE 61 61 12009 1 . LYS 62 62 12009 1 . TRP 63 63 12009 1 . GLN 64 64 12009 1 . PRO 65 65 12009 1 . GLY 66 66 12009 1 . GLU 67 67 12009 1 . GLU 68 68 12009 1 . PRO 69 69 12009 1 . ALA 70 70 12009 1 . GLY 71 71 12009 1 . SER 72 72 12009 1 . VAL 73 73 12009 1 . VAL 74 74 12009 1 . GLN 75 75 12009 1 . ASP 76 76 12009 1 . SER 77 77 12009 1 . ARG 78 78 12009 1 . LEU 79 79 12009 1 . ASP 80 80 12009 1 . THR 81 81 12009 1 . ILE 82 82 12009 1 . PHE 83 83 12009 1 . PHE 84 84 12009 1 . ALA 85 85 12009 1 . LYS 86 86 12009 1 . GLN 87 87 12009 1 . VAL 88 88 12009 1 . ILE 89 89 12009 1 . ASN 90 90 12009 1 . ASN 91 91 12009 1 . ALA 92 92 12009 1 . CYS 93 93 12009 1 . ALA 94 94 12009 1 . THR 95 95 12009 1 . GLN 96 96 12009 1 . ALA 97 97 12009 1 . ILE 98 98 12009 1 . VAL 99 99 12009 1 . SER 100 100 12009 1 . VAL 101 101 12009 1 . LEU 102 102 12009 1 . LEU 103 103 12009 1 . ASN 104 104 12009 1 . CYS 105 105 12009 1 . THR 106 106 12009 1 . HIS 107 107 12009 1 . GLN 108 108 12009 1 . ASP 109 109 12009 1 . VAL 110 110 12009 1 . HIS 111 111 12009 1 . LEU 112 112 12009 1 . GLY 113 113 12009 1 . GLU 114 114 12009 1 . THR 115 115 12009 1 . LEU 116 116 12009 1 . SER 117 117 12009 1 . GLU 118 118 12009 1 . PHE 119 119 12009 1 . LYS 120 120 12009 1 . GLU 121 121 12009 1 . PHE 122 122 12009 1 . SER 123 123 12009 1 . GLN 124 124 12009 1 . SER 125 125 12009 1 . PHE 126 126 12009 1 . ASP 127 127 12009 1 . ALA 128 128 12009 1 . ALA 129 129 12009 1 . MET 130 130 12009 1 . LYS 131 131 12009 1 . GLY 132 132 12009 1 . LEU 133 133 12009 1 . ALA 134 134 12009 1 . LEU 135 135 12009 1 . SER 136 136 12009 1 . ASN 137 137 12009 1 . SER 138 138 12009 1 . ASP 139 139 12009 1 . VAL 140 140 12009 1 . ILE 141 141 12009 1 . ARG 142 142 12009 1 . GLN 143 143 12009 1 . VAL 144 144 12009 1 . HIS 145 145 12009 1 . ASN 146 146 12009 1 . SER 147 147 12009 1 . PHE 148 148 12009 1 . ALA 149 149 12009 1 . ARG 150 150 12009 1 . GLN 151 151 12009 1 . GLN 152 152 12009 1 . MET 153 153 12009 1 . PHE 154 154 12009 1 . GLU 155 155 12009 1 . PHE 156 156 12009 1 . ASP 157 157 12009 1 . THR 158 158 12009 1 . LYS 159 159 12009 1 . THR 160 160 12009 1 . SER 161 161 12009 1 . ALA 162 162 12009 1 . LYS 163 163 12009 1 . GLU 164 164 12009 1 . GLU 165 165 12009 1 . ASP 166 166 12009 1 . ALA 167 167 12009 1 . PHE 168 168 12009 1 . HIS 169 169 12009 1 . PHE 170 170 12009 1 . VAL 171 171 12009 1 . SER 172 172 12009 1 . TYR 173 173 12009 1 . VAL 174 174 12009 1 . PRO 175 175 12009 1 . VAL 176 176 12009 1 . ASN 177 177 12009 1 . GLY 178 178 12009 1 . ARG 179 179 12009 1 . LEU 180 180 12009 1 . TYR 181 181 12009 1 . GLU 182 182 12009 1 . LEU 183 183 12009 1 . ASP 184 184 12009 1 . GLY 185 185 12009 1 . LEU 186 186 12009 1 . ARG 187 187 12009 1 . GLU 188 188 12009 1 . GLY 189 189 12009 1 . PRO 190 190 12009 1 . ILE 191 191 12009 1 . ASP 192 192 12009 1 . LEU 193 193 12009 1 . GLY 194 194 12009 1 . ALA 195 195 12009 1 . CYS 196 196 12009 1 . ASN 197 197 12009 1 . GLN 198 198 12009 1 . ASP 199 199 12009 1 . ASP 200 200 12009 1 . TRP 201 201 12009 1 . ILE 202 202 12009 1 . SER 203 203 12009 1 . ALA 204 204 12009 1 . VAL 205 205 12009 1 . ARG 206 206 12009 1 . PRO 207 207 12009 1 . VAL 208 208 12009 1 . ILE 209 209 12009 1 . GLU 210 210 12009 1 . LYS 211 211 12009 1 . ARG 212 212 12009 1 . ILE 213 213 12009 1 . GLN 214 214 12009 1 . LYS 215 215 12009 1 . TYR 216 216 12009 1 . SER 217 217 12009 1 . GLU 218 218 12009 1 . GLY 219 219 12009 1 . GLU 220 220 12009 1 . ILE 221 221 12009 1 . ARG 222 222 12009 1 . PHE 223 223 12009 1 . ASN 224 224 12009 1 . LEU 225 225 12009 1 . MET 226 226 12009 1 . ALA 227 227 12009 1 . ILE 228 228 12009 1 . VAL 229 229 12009 1 . SER 230 230 12009 1 . ASP 231 231 12009 1 . ARG 232 232 12009 1 . LYS 233 233 12009 1 . MET 234 234 12009 1 . ILE 235 235 12009 1 . TYR 236 236 12009 1 . GLU 237 237 12009 1 . GLN 238 238 12009 1 . LYS 239 239 12009 1 . ILE 240 240 12009 1 . ALA 241 241 12009 1 . GLU 242 242 12009 1 . LEU 243 243 12009 1 . GLN 244 244 12009 1 . ARG 245 245 12009 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 12009 _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 $UCHL5N240 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 12009 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 12009 _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 $UCHL5N240 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 DE3' . . . . . pGEX-6P1 . . . 12009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12009 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UCHL5N240 '[U-98% 13C; U-98% 15N]' . . 1 $UCHL5N240 . protein 0.5 . . mM . . . . 12009 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 12009 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 12009 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 12009 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 12009 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 12009 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 12009 _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' 0.1 . M 12009 1 pH 7.6 . pH 12009 1 pressure 1 . atm 12009 1 temperature 298 . K 12009 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 12009 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 12009 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 12009 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 12009 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 12009 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 12009 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 12009 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 12009 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 12009 3 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 12009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 12009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 12009 _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 . 600 . . . 12009 1 2 spectrometer_2 Bruker Avance . 850 . . . 12009 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 12009 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 12009 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 12009 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 12009 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 12009 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 12009 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 12009 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 12009 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 12009 _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 water protons . . . . ppm 4.631 na indirect 0.251449530 . . . . . 12009 1 H 1 water protons . . . . ppm 4.631 internal direct 1 . . . . . 12009 1 N 15 water protons . . . . ppm 4.631 na indirect 0.101329118 . . . . . 12009 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 12009 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12009 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 12009 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12009 1 4 '3D HNCO' 1 $sample_1 isotropic 12009 1 5 '3D HNCACB' 1 $sample_1 isotropic 12009 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 12009 1 7 '3D HNCA' 1 $sample_1 isotropic 12009 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 $SPARKY . . 12009 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 7 7 THR C C 13 174.982 0.1 1 1 . . . . . 2 T C . 12009 1 2 . 1 1 7 7 THR CA C 13 61.829 0.012 2 1 . . . . . 2 T CA . 12009 1 3 . 1 1 7 7 THR CB C 13 69.751 0.085 2 1 . . . . . 2 T CB . 12009 1 4 . 1 1 8 8 GLY H H 1 8.283 0.011 7 1 . . . . . 3 G H . 12009 1 5 . 1 1 8 8 GLY CA C 13 45.482 0.1 1 1 . . . . . 3 G CA . 12009 1 6 . 1 1 8 8 GLY N N 15 110.719 0.040 7 1 . . . . . 3 G N . 12009 1 7 . 1 1 9 9 ASN H H 1 8.820 0.01 0 1 . . . . . 4 N H . 12009 1 8 . 1 1 9 9 ASN N N 15 119.857 0.05 0 1 . . . . . 4 N N . 12009 1 9 . 1 1 11 11 GLY H H 1 8.177 0.01 1 1 . . . . . 6 G H . 12009 1 10 . 1 1 11 11 GLY CA C 13 45.154 0.1 1 1 . . . . . 6 G CA . 12009 1 11 . 1 1 11 11 GLY N N 15 106.671 0.05 1 1 . . . . . 6 G N . 12009 1 12 . 1 1 12 12 GLU H H 1 8.442 0.01 1 1 . . . . . 7 E H . 12009 1 13 . 1 1 12 12 GLU C C 13 176.772 0.1 1 1 . . . . . 7 E C . 12009 1 14 . 1 1 12 12 GLU CA C 13 57.169 0.102 2 1 . . . . . 7 E CA . 12009 1 15 . 1 1 12 12 GLU N N 15 113.623 0.05 1 1 . . . . . 7 E N . 12009 1 16 . 1 1 13 13 TRP H H 1 8.509 0.011 5 1 . . . . . 8 W H . 12009 1 17 . 1 1 13 13 TRP C C 13 176.285 0.1 1 1 . . . . . 8 W C . 12009 1 18 . 1 1 13 13 TRP CA C 13 56.960 0.040 4 1 . . . . . 8 W CA . 12009 1 19 . 1 1 13 13 TRP CB C 13 29.020 0.1 1 1 . . . . . 8 W CB . 12009 1 20 . 1 1 13 13 TRP N N 15 120.903 0.054 5 1 . . . . . 8 W N . 12009 1 21 . 1 1 14 14 CYS H H 1 9.266 0.004 9 1 . . . . . 9 C H . 12009 1 22 . 1 1 14 14 CYS C C 13 173.872 0.1 1 1 . . . . . 9 C C . 12009 1 23 . 1 1 14 14 CYS CA C 13 59.509 0.067 4 1 . . . . . 9 C CA . 12009 1 24 . 1 1 14 14 CYS CB C 13 29.491 0.045 3 1 . . . . . 9 C CB . 12009 1 25 . 1 1 14 14 CYS N N 15 123.754 0.025 9 1 . . . . . 9 C N . 12009 1 26 . 1 1 15 15 LEU H H 1 8.496 0.008 11 1 . . . . . 10 L H . 12009 1 27 . 1 1 15 15 LEU C C 13 173.754 0.1 1 1 . . . . . 10 L C . 12009 1 28 . 1 1 15 15 LEU CA C 13 56.134 0.065 5 1 . . . . . 10 L CA . 12009 1 29 . 1 1 15 15 LEU CB C 13 42.685 0.074 3 1 . . . . . 10 L CB . 12009 1 30 . 1 1 15 15 LEU N N 15 124.307 0.035 11 1 . . . . . 10 L N . 12009 1 31 . 1 1 16 16 MET H H 1 9.191 0.012 10 1 . . . . . 11 M H . 12009 1 32 . 1 1 16 16 MET C C 13 175.845 0.1 1 1 . . . . . 11 M C . 12009 1 33 . 1 1 16 16 MET CA C 13 54.259 0.048 4 1 . . . . . 11 M CA . 12009 1 34 . 1 1 16 16 MET CB C 13 35.932 0.054 2 1 . . . . . 11 M CB . 12009 1 35 . 1 1 16 16 MET N N 15 116.179 0.046 10 1 . . . . . 11 M N . 12009 1 36 . 1 1 17 17 GLU H H 1 8.858 0.008 10 1 . . . . . 12 E H . 12009 1 37 . 1 1 17 17 GLU C C 13 175.873 0.1 1 1 . . . . . 12 E C . 12009 1 38 . 1 1 17 17 GLU CA C 13 56.633 0.571 4 1 . . . . . 12 E CA . 12009 1 39 . 1 1 17 17 GLU CB C 13 30.327 0.036 3 1 . . . . . 12 E CB . 12009 1 40 . 1 1 17 17 GLU N N 15 127.809 0.051 10 1 . . . . . 12 E N . 12009 1 41 . 1 1 18 18 SER H H 1 8.345 0.004 10 1 . . . . . 13 S H . 12009 1 42 . 1 1 18 18 SER CA C 13 57.676 0.158 4 1 . . . . . 13 S CA . 12009 1 43 . 1 1 18 18 SER CB C 13 62.278 0.049 2 1 . . . . . 13 S CB . 12009 1 44 . 1 1 18 18 SER N N 15 117.656 0.035 10 1 . . . . . 13 S N . 12009 1 45 . 1 1 19 19 ASP H H 1 5.757 0.018 6 1 . . . . . 14 D H . 12009 1 46 . 1 1 19 19 ASP N N 15 124.355 0.047 6 1 . . . . . 14 D N . 12009 1 47 . 1 1 20 20 PRO C C 13 178.134 0.1 1 1 . . . . . 15 P C . 12009 1 48 . 1 1 20 20 PRO CA C 13 65.485 0.075 3 1 . . . . . 15 P CA . 12009 1 49 . 1 1 20 20 PRO CB C 13 31.415 0.060 2 1 . . . . . 15 P CB . 12009 1 50 . 1 1 21 21 GLY H H 1 8.300 0.007 9 1 . . . . . 16 G H . 12009 1 51 . 1 1 21 21 GLY C C 13 176.718 0.1 1 1 . . . . . 16 G C . 12009 1 52 . 1 1 21 21 GLY CA C 13 47.259 0.014 4 1 . . . . . 16 G CA . 12009 1 53 . 1 1 21 21 GLY N N 15 111.143 0.027 9 1 . . . . . 16 G N . 12009 1 54 . 1 1 22 22 VAL H H 1 7.719 0.004 8 1 . . . . . 17 V H . 12009 1 55 . 1 1 22 22 VAL C C 13 178.071 0.1 1 1 . . . . . 17 V C . 12009 1 56 . 1 1 22 22 VAL CA C 13 66.156 0.055 4 1 . . . . . 17 V CA . 12009 1 57 . 1 1 22 22 VAL CB C 13 31.327 0.116 2 1 . . . . . 17 V CB . 12009 1 58 . 1 1 22 22 VAL N N 15 125.044 0.047 8 1 . . . . . 17 V N . 12009 1 59 . 1 1 23 23 PHE H H 1 8.146 0.003 9 1 . . . . . 18 F H . 12009 1 60 . 1 1 23 23 PHE C C 13 177.823 0.1 1 1 . . . . . 18 F C . 12009 1 61 . 1 1 23 23 PHE CA C 13 57.047 0.082 5 1 . . . . . 18 F CA . 12009 1 62 . 1 1 23 23 PHE CB C 13 37.250 0.030 3 1 . . . . . 18 F CB . 12009 1 63 . 1 1 23 23 PHE N N 15 116.736 0.029 9 1 . . . . . 18 F N . 12009 1 64 . 1 1 24 24 THR H H 1 8.158 0.006 11 1 . . . . . 19 T H . 12009 1 65 . 1 1 24 24 THR C C 13 175.667 0.1 1 1 . . . . . 19 T C . 12009 1 66 . 1 1 24 24 THR CA C 13 68.909 0.018 3 1 . . . . . 19 T CA . 12009 1 67 . 1 1 24 24 THR CB C 13 68.765 0.1 1 1 . . . . . 19 T CB . 12009 1 68 . 1 1 24 24 THR N N 15 117.342 0.046 11 1 . . . . . 19 T N . 12009 1 69 . 1 1 25 25 GLU H H 1 7.665 0.008 8 1 . . . . . 20 E H . 12009 1 70 . 1 1 25 25 GLU C C 13 178.512 0.1 1 1 . . . . . 20 E C . 12009 1 71 . 1 1 25 25 GLU CA C 13 59.066 0.051 4 1 . . . . . 20 E CA . 12009 1 72 . 1 1 25 25 GLU CB C 13 28.656 0.096 2 1 . . . . . 20 E CB . 12009 1 73 . 1 1 25 25 GLU N N 15 121.362 0.037 8 1 . . . . . 20 E N . 12009 1 74 . 1 1 26 26 LEU H H 1 8.368 0.006 9 1 . . . . . 21 L H . 12009 1 75 . 1 1 26 26 LEU C C 13 176.682 0.1 1 1 . . . . . 21 L C . 12009 1 76 . 1 1 26 26 LEU CA C 13 58.041 0.088 6 1 . . . . . 21 L CA . 12009 1 77 . 1 1 26 26 LEU CB C 13 42.080 0.050 3 1 . . . . . 21 L CB . 12009 1 78 . 1 1 26 26 LEU N N 15 123.924 0.029 9 1 . . . . . 21 L N . 12009 1 79 . 1 1 27 27 ILE H H 1 7.419 0.008 13 1 . . . . . 22 I H . 12009 1 80 . 1 1 27 27 ILE C C 13 178.820 0.1 1 1 . . . . . 22 I C . 12009 1 81 . 1 1 27 27 ILE CA C 13 66.609 0.070 5 1 . . . . . 22 I CA . 12009 1 82 . 1 1 27 27 ILE CB C 13 38.100 0.104 3 1 . . . . . 22 I CB . 12009 1 83 . 1 1 27 27 ILE N N 15 115.749 0.080 13 1 . . . . . 22 I N . 12009 1 84 . 1 1 28 28 LYS H H 1 7.487 0.011 10 1 . . . . . 23 K H . 12009 1 85 . 1 1 28 28 LYS N N 15 118.215 0.024 10 1 . . . . . 23 K N . 12009 1 86 . 1 1 29 29 GLY H H 1 7.897 0.01 1 1 . . . . . 24 G H . 12009 1 87 . 1 1 29 29 GLY CA C 13 45.239 0.014 3 1 . . . . . 24 G CA . 12009 1 88 . 1 1 29 29 GLY N N 15 106.558 0.05 1 1 . . . . . 24 G N . 12009 1 89 . 1 1 30 30 PHE H H 1 7.870 0.002 5 1 . . . . . 25 F H . 12009 1 90 . 1 1 30 30 PHE C C 13 176.809 0.1 1 1 . . . . . 25 F C . 12009 1 91 . 1 1 30 30 PHE CA C 13 57.463 0.090 6 1 . . . . . 25 F CA . 12009 1 92 . 1 1 30 30 PHE CB C 13 38.998 0.010 2 1 . . . . . 25 F CB . 12009 1 93 . 1 1 30 30 PHE N N 15 117.667 0.059 5 1 . . . . . 25 F N . 12009 1 94 . 1 1 31 31 GLY H H 1 8.400 0.007 12 1 . . . . . 26 G H . 12009 1 95 . 1 1 31 31 GLY C C 13 173.216 0.1 1 1 . . . . . 26 G C . 12009 1 96 . 1 1 31 31 GLY CA C 13 44.898 0.026 4 1 . . . . . 26 G CA . 12009 1 97 . 1 1 31 31 GLY N N 15 107.526 0.055 12 1 . . . . . 26 G N . 12009 1 98 . 1 1 32 32 CYS H H 1 7.296 0.003 8 1 . . . . . 27 C H . 12009 1 99 . 1 1 32 32 CYS C C 13 175.318 0.1 1 1 . . . . . 27 C C . 12009 1 100 . 1 1 32 32 CYS CA C 13 57.221 0.014 4 1 . . . . . 27 C CA . 12009 1 101 . 1 1 32 32 CYS CB C 13 27.037 0.143 3 1 . . . . . 27 C CB . 12009 1 102 . 1 1 32 32 CYS N N 15 120.094 0.041 8 1 . . . . . 27 C N . 12009 1 103 . 1 1 33 33 ARG H H 1 9.101 0.013 10 1 . . . . . 28 R H . 12009 1 104 . 1 1 33 33 ARG C C 13 175.466 0.1 1 1 . . . . . 28 R C . 12009 1 105 . 1 1 33 33 ARG CA C 13 54.716 0.024 4 1 . . . . . 28 R CA . 12009 1 106 . 1 1 33 33 ARG CB C 13 33.563 0.047 2 1 . . . . . 28 R CB . 12009 1 107 . 1 1 33 33 ARG N N 15 128.858 0.069 10 1 . . . . . 28 R N . 12009 1 108 . 1 1 34 34 GLY H H 1 8.746 0.004 8 1 . . . . . 29 G H . 12009 1 109 . 1 1 34 34 GLY CA C 13 45.540 0.046 2 1 . . . . . 29 G CA . 12009 1 110 . 1 1 34 34 GLY N N 15 108.913 0.005 8 1 . . . . . 29 G N . 12009 1 111 . 1 1 35 35 ALA H H 1 8.062 0.011 2 1 . . . . . 30 A H . 12009 1 112 . 1 1 35 35 ALA C C 13 175.562 0.1 1 1 . . . . . 30 A C . 12009 1 113 . 1 1 35 35 ALA CA C 13 50.075 0.038 3 1 . . . . . 30 A CA . 12009 1 114 . 1 1 35 35 ALA CB C 13 22.013 0.082 3 1 . . . . . 30 A CB . 12009 1 115 . 1 1 35 35 ALA N N 15 121.376 0.006 2 1 . . . . . 30 A N . 12009 1 116 . 1 1 36 36 GLN H H 1 9.199 0.006 9 1 . . . . . 31 Q H . 12009 1 117 . 1 1 36 36 GLN C C 13 172.393 0.1 1 1 . . . . . 31 Q C . 12009 1 118 . 1 1 36 36 GLN CA C 13 54.248 0.025 3 1 . . . . . 31 Q CA . 12009 1 119 . 1 1 36 36 GLN N N 15 118.584 0.023 9 1 . . . . . 31 Q N . 12009 1 120 . 1 1 37 37 VAL H H 1 8.328 0.011 7 1 . . . . . 32 V H . 12009 1 121 . 1 1 37 37 VAL C C 13 174.182 0.1 1 1 . . . . . 32 V C . 12009 1 122 . 1 1 37 37 VAL CA C 13 61.273 0.079 4 1 . . . . . 32 V CA . 12009 1 123 . 1 1 37 37 VAL CB C 13 32.003 0.076 3 1 . . . . . 32 V CB . 12009 1 124 . 1 1 37 37 VAL N N 15 121.431 0.033 7 1 . . . . . 32 V N . 12009 1 125 . 1 1 38 38 GLU H H 1 8.887 0.004 10 1 . . . . . 33 E H . 12009 1 126 . 1 1 38 38 GLU C C 13 175.731 0.1 1 1 . . . . . 33 E C . 12009 1 127 . 1 1 38 38 GLU CA C 13 54.032 0.085 4 1 . . . . . 33 E CA . 12009 1 128 . 1 1 38 38 GLU CB C 13 33.777 0.050 3 1 . . . . . 33 E CB . 12009 1 129 . 1 1 38 38 GLU N N 15 124.587 0.030 10 1 . . . . . 33 E N . 12009 1 130 . 1 1 39 39 GLU H H 1 9.021 0.007 10 1 . . . . . 34 E H . 12009 1 131 . 1 1 39 39 GLU C C 13 175.609 0.1 1 1 . . . . . 34 E C . 12009 1 132 . 1 1 39 39 GLU CA C 13 57.078 0.048 3 1 . . . . . 34 E CA . 12009 1 133 . 1 1 39 39 GLU CB C 13 30.215 0.050 2 1 . . . . . 34 E CB . 12009 1 134 . 1 1 39 39 GLU N N 15 125.263 0.033 10 1 . . . . . 34 E N . 12009 1 135 . 1 1 40 40 ILE H H 1 8.241 0.766 7 1 . . . . . 35 I H . 12009 1 136 . 1 1 40 40 ILE C C 13 174.601 0.1 1 1 . . . . . 35 I C . 12009 1 137 . 1 1 40 40 ILE CA C 13 57.365 0.100 3 1 . . . . . 35 I CA . 12009 1 138 . 1 1 40 40 ILE CB C 13 39.353 0.011 2 1 . . . . . 35 I CB . 12009 1 139 . 1 1 40 40 ILE N N 15 117.100 0.004 7 1 . . . . . 35 I N . 12009 1 140 . 1 1 41 41 TRP H H 1 7.694 0.006 9 1 . . . . . 36 W H . 12009 1 141 . 1 1 41 41 TRP C C 13 175.546 0.1 1 1 . . . . . 36 W C . 12009 1 142 . 1 1 41 41 TRP CA C 13 57.591 0.141 4 1 . . . . . 36 W CA . 12009 1 143 . 1 1 41 41 TRP CB C 13 30.453 0.020 2 1 . . . . . 36 W CB . 12009 1 144 . 1 1 41 41 TRP N N 15 126.012 0.222 9 1 . . . . . 36 W N . 12009 1 145 . 1 1 42 42 SER H H 1 7.380 0.004 9 1 . . . . . 37 S H . 12009 1 146 . 1 1 42 42 SER C C 13 173.361 0.1 1 1 . . . . . 37 S C . 12009 1 147 . 1 1 42 42 SER CA C 13 56.759 0.021 4 1 . . . . . 37 S CA . 12009 1 148 . 1 1 42 42 SER CB C 13 64.160 0.099 3 1 . . . . . 37 S CB . 12009 1 149 . 1 1 42 42 SER N N 15 112.859 0.045 9 1 . . . . . 37 S N . 12009 1 150 . 1 1 43 43 LEU H H 1 8.772 0.009 11 1 . . . . . 38 L H . 12009 1 151 . 1 1 43 43 LEU C C 13 175.481 0.1 1 1 . . . . . 38 L C . 12009 1 152 . 1 1 43 43 LEU CA C 13 53.887 0.043 7 1 . . . . . 38 L CA . 12009 1 153 . 1 1 43 43 LEU CB C 13 41.111 0.083 5 1 . . . . . 38 L CB . 12009 1 154 . 1 1 43 43 LEU N N 15 123.351 0.031 11 1 . . . . . 38 L N . 12009 1 155 . 1 1 44 44 GLU H H 1 7.872 0.008 14 1 . . . . . 39 E H . 12009 1 156 . 1 1 44 44 GLU CA C 13 55.520 0.1 1 1 . . . . . 39 E CA . 12009 1 157 . 1 1 44 44 GLU N N 15 120.214 0.042 14 1 . . . . . 39 E N . 12009 1 158 . 1 1 45 45 PRO C C 13 179.333 0.1 1 1 . . . . . 40 P C . 12009 1 159 . 1 1 45 45 PRO CA C 13 65.976 0.051 3 1 . . . . . 40 P CA . 12009 1 160 . 1 1 45 45 PRO CB C 13 31.877 0.074 2 1 . . . . . 40 P CB . 12009 1 161 . 1 1 46 46 GLU H H 1 9.444 0.005 10 1 . . . . . 41 E H . 12009 1 162 . 1 1 46 46 GLU C C 13 178.290 0.1 1 1 . . . . . 41 E C . 12009 1 163 . 1 1 46 46 GLU CA C 13 59.679 0.061 4 1 . . . . . 41 E CA . 12009 1 164 . 1 1 46 46 GLU CB C 13 28.524 0.087 3 1 . . . . . 41 E CB . 12009 1 165 . 1 1 46 46 GLU N N 15 118.021 0.024 10 1 . . . . . 41 E N . 12009 1 166 . 1 1 47 47 ASN H H 1 7.723 0.004 10 1 . . . . . 42 N H . 12009 1 167 . 1 1 47 47 ASN C C 13 176.230 0.1 1 1 . . . . . 42 N C . 12009 1 168 . 1 1 47 47 ASN CA C 13 55.166 0.026 4 1 . . . . . 42 N CA . 12009 1 169 . 1 1 47 47 ASN CB C 13 38.540 0.072 2 1 . . . . . 42 N CB . 12009 1 170 . 1 1 47 47 ASN N N 15 116.320 0.031 10 1 . . . . . 42 N N . 12009 1 171 . 1 1 48 48 PHE H H 1 7.555 0.004 10 1 . . . . . 43 F H . 12009 1 172 . 1 1 48 48 PHE C C 13 177.286 0.1 1 1 . . . . . 43 F C . 12009 1 173 . 1 1 48 48 PHE CA C 13 59.943 0.017 3 1 . . . . . 43 F CA . 12009 1 174 . 1 1 48 48 PHE CB C 13 39.538 0.129 3 1 . . . . . 43 F CB . 12009 1 175 . 1 1 48 48 PHE N N 15 115.466 0.038 10 1 . . . . . 43 F N . 12009 1 176 . 1 1 49 49 GLU H H 1 7.760 0.012 10 1 . . . . . 44 E H . 12009 1 177 . 1 1 49 49 GLU C C 13 178.337 0.1 1 1 . . . . . 44 E C . 12009 1 178 . 1 1 49 49 GLU CA C 13 59.715 0.123 5 1 . . . . . 44 E CA . 12009 1 179 . 1 1 49 49 GLU CB C 13 29.408 0.049 2 1 . . . . . 44 E CB . 12009 1 180 . 1 1 49 49 GLU N N 15 120.372 0.092 10 1 . . . . . 44 E N . 12009 1 181 . 1 1 50 50 LYS H H 1 7.618 0.004 9 1 . . . . . 45 K H . 12009 1 182 . 1 1 50 50 LYS CA C 13 57.133 0.029 4 1 . . . . . 45 K CA . 12009 1 183 . 1 1 50 50 LYS CB C 13 32.043 0.039 3 1 . . . . . 45 K CB . 12009 1 184 . 1 1 50 50 LYS N N 15 114.333 0.030 9 1 . . . . . 45 K N . 12009 1 185 . 1 1 51 51 LEU H H 1 7.166 0.004 10 1 . . . . . 46 L H . 12009 1 186 . 1 1 51 51 LEU C C 13 178.451 0.1 1 1 . . . . . 46 L C . 12009 1 187 . 1 1 51 51 LEU CA C 13 59.145 0.061 3 1 . . . . . 46 L CA . 12009 1 188 . 1 1 51 51 LEU CB C 13 43.930 0.005 2 1 . . . . . 46 L CB . 12009 1 189 . 1 1 51 51 LEU N N 15 117.504 0.055 10 1 . . . . . 46 L N . 12009 1 190 . 1 1 52 52 LYS H H 1 7.044 0.005 5 1 . . . . . 47 K H . 12009 1 191 . 1 1 52 52 LYS CB C 13 31.973 0.1 0 1 . . . . . 47 K CB . 12009 1 192 . 1 1 52 52 LYS N N 15 120.552 0.140 5 1 . . . . . 47 K N . 12009 1 193 . 1 1 53 53 PRO C C 13 173.494 0.1 1 1 . . . . . 48 P C . 12009 1 194 . 1 1 53 53 PRO CA C 13 62.730 0.076 3 1 . . . . . 48 P CA . 12009 1 195 . 1 1 53 53 PRO CB C 13 32.179 0.1 1 1 . . . . . 48 P CB . 12009 1 196 . 1 1 54 54 VAL H H 1 8.602 0.011 9 1 . . . . . 49 V H . 12009 1 197 . 1 1 54 54 VAL C C 13 175.186 0.1 1 1 . . . . . 49 V C . 12009 1 198 . 1 1 54 54 VAL CA C 13 61.057 0.060 4 1 . . . . . 49 V CA . 12009 1 199 . 1 1 54 54 VAL CB C 13 32.148 0.057 2 1 . . . . . 49 V CB . 12009 1 200 . 1 1 54 54 VAL N N 15 121.988 0.053 9 1 . . . . . 49 V N . 12009 1 201 . 1 1 55 55 HIS H H 1 9.159 0.004 9 1 . . . . . 50 H H . 12009 1 202 . 1 1 55 55 HIS CA C 13 56.818 0.031 4 1 . . . . . 50 H CA . 12009 1 203 . 1 1 55 55 HIS CB C 13 32.069 0.022 2 1 . . . . . 50 H CB . 12009 1 204 . 1 1 55 55 HIS N N 15 127.310 0.045 9 1 . . . . . 50 H N . 12009 1 205 . 1 1 56 56 GLY H H 1 7.861 0.006 7 1 . . . . . 51 G H . 12009 1 206 . 1 1 56 56 GLY C C 13 171.230 0.1 1 1 . . . . . 51 G C . 12009 1 207 . 1 1 56 56 GLY CA C 13 46.231 0.050 5 1 . . . . . 51 G CA . 12009 1 208 . 1 1 56 56 GLY N N 15 100.874 0.039 7 1 . . . . . 51 G N . 12009 1 209 . 1 1 57 57 LEU H H 1 9.240 0.010 10 1 . . . . . 52 L H . 12009 1 210 . 1 1 57 57 LEU C C 13 175.450 0.1 1 1 . . . . . 52 L C . 12009 1 211 . 1 1 57 57 LEU CA C 13 53.657 0.030 5 1 . . . . . 52 L CA . 12009 1 212 . 1 1 57 57 LEU CB C 13 46.459 0.149 2 1 . . . . . 52 L CB . 12009 1 213 . 1 1 57 57 LEU N N 15 120.429 0.029 10 1 . . . . . 52 L N . 12009 1 214 . 1 1 58 58 ILE H H 1 9.409 0.005 8 1 . . . . . 53 I H . 12009 1 215 . 1 1 58 58 ILE C C 13 173.058 0.1 1 1 . . . . . 53 I C . 12009 1 216 . 1 1 58 58 ILE CA C 13 59.786 0.101 4 1 . . . . . 53 I CA . 12009 1 217 . 1 1 58 58 ILE N N 15 119.036 0.035 8 1 . . . . . 53 I N . 12009 1 218 . 1 1 59 59 PHE H H 1 9.543 0.010 8 1 . . . . . 54 F H . 12009 1 219 . 1 1 59 59 PHE CA C 13 55.669 0.025 3 1 . . . . . 54 F CA . 12009 1 220 . 1 1 59 59 PHE N N 15 129.066 0.067 8 1 . . . . . 54 F N . 12009 1 221 . 1 1 60 60 LEU H H 1 8.666 0.011 6 1 . . . . . 55 L H . 12009 1 222 . 1 1 60 60 LEU C C 13 175.751 0.1 1 1 . . . . . 55 L C . 12009 1 223 . 1 1 60 60 LEU CA C 13 53.132 0.031 3 1 . . . . . 55 L CA . 12009 1 224 . 1 1 60 60 LEU N N 15 126.640 0.046 6 1 . . . . . 55 L N . 12009 1 225 . 1 1 61 61 PHE H H 1 8.430 0.007 6 1 . . . . . 56 F H . 12009 1 226 . 1 1 61 61 PHE CA C 13 55.902 0.1 1 1 . . . . . 56 F CA . 12009 1 227 . 1 1 61 61 PHE N N 15 116.290 0.092 6 1 . . . . . 56 F N . 12009 1 228 . 1 1 62 62 LYS CA C 13 57.433 0.1 1 1 . . . . . 57 K CA . 12009 1 229 . 1 1 62 62 LYS CB C 13 33.083 0.094 2 1 . . . . . 57 K CB . 12009 1 230 . 1 1 63 63 TRP H H 1 8.474 0.002 3 1 . . . . . 58 W H . 12009 1 231 . 1 1 63 63 TRP N N 15 122.673 0.028 3 1 . . . . . 58 W N . 12009 1 232 . 1 1 65 65 PRO C C 13 177.484 0.1 1 1 . . . . . 60 P C . 12009 1 233 . 1 1 65 65 PRO CA C 13 62.661 0.055 3 1 . . . . . 60 P CA . 12009 1 234 . 1 1 65 65 PRO CB C 13 31.560 0.071 2 1 . . . . . 60 P CB . 12009 1 235 . 1 1 66 66 GLY H H 1 8.267 0.007 9 1 . . . . . 61 G H . 12009 1 236 . 1 1 66 66 GLY C C 13 173.499 0.1 1 1 . . . . . 61 G C . 12009 1 237 . 1 1 66 66 GLY CA C 13 45.132 0.051 4 1 . . . . . 61 G CA . 12009 1 238 . 1 1 66 66 GLY N N 15 108.006 0.066 9 1 . . . . . 61 G N . 12009 1 239 . 1 1 67 67 GLU H H 1 8.011 0.005 8 1 . . . . . 62 E H . 12009 1 240 . 1 1 67 67 GLU C C 13 176.461 0.1 1 1 . . . . . 62 E C . 12009 1 241 . 1 1 67 67 GLU CA C 13 56.458 0.073 3 1 . . . . . 62 E CA . 12009 1 242 . 1 1 67 67 GLU CB C 13 30.755 0.066 3 1 . . . . . 62 E CB . 12009 1 243 . 1 1 67 67 GLU N N 15 119.585 0.037 8 1 . . . . . 62 E N . 12009 1 244 . 1 1 68 68 GLU H H 1 8.827 0.010 9 1 . . . . . 63 E H . 12009 1 245 . 1 1 68 68 GLU CA C 13 56.925 0.1 1 1 . . . . . 63 E CA . 12009 1 246 . 1 1 68 68 GLU CB C 13 28.890 0.1 1 1 . . . . . 63 E CB . 12009 1 247 . 1 1 68 68 GLU N N 15 125.568 0.052 9 1 . . . . . 63 E N . 12009 1 248 . 1 1 69 69 PRO CA C 13 53.092 0.1 1 1 . . . . . 64 P CA . 12009 1 249 . 1 1 69 69 PRO CB C 13 39.133 0.048 2 1 . . . . . 64 P CB . 12009 1 250 . 1 1 70 70 ALA H H 1 8.281 0.002 4 1 . . . . . 65 A H . 12009 1 251 . 1 1 70 70 ALA C C 13 177.979 0.1 1 1 . . . . . 65 A C . 12009 1 252 . 1 1 70 70 ALA CA C 13 53.028 0.006 3 1 . . . . . 65 A CA . 12009 1 253 . 1 1 70 70 ALA CB C 13 19.083 0.079 4 1 . . . . . 65 A CB . 12009 1 254 . 1 1 70 70 ALA N N 15 124.409 0.036 4 1 . . . . . 65 A N . 12009 1 255 . 1 1 71 71 GLY H H 1 8.175 0.005 9 1 . . . . . 66 G H . 12009 1 256 . 1 1 71 71 GLY C C 13 172.728 0.1 1 1 . . . . . 66 G C . 12009 1 257 . 1 1 71 71 GLY CA C 13 44.674 0.066 3 1 . . . . . 66 G CA . 12009 1 258 . 1 1 71 71 GLY N N 15 106.752 0.111 9 1 . . . . . 66 G N . 12009 1 259 . 1 1 72 72 SER H H 1 8.067 0.003 8 1 . . . . . 67 S H . 12009 1 260 . 1 1 72 72 SER C C 13 178.081 0.1 1 1 . . . . . 67 S C . 12009 1 261 . 1 1 72 72 SER CA C 13 57.737 0.140 4 1 . . . . . 67 S CA . 12009 1 262 . 1 1 72 72 SER CB C 13 64.213 0.034 2 1 . . . . . 67 S CB . 12009 1 263 . 1 1 72 72 SER N N 15 115.325 0.027 8 1 . . . . . 67 S N . 12009 1 264 . 1 1 73 73 VAL H H 1 8.078 0.239 9 1 . . . . . 68 V H . 12009 1 265 . 1 1 73 73 VAL C C 13 177.618 0.1 1 1 . . . . . 68 V C . 12009 1 266 . 1 1 73 73 VAL CA C 13 65.648 0.087 3 1 . . . . . 68 V CA . 12009 1 267 . 1 1 73 73 VAL CB C 13 31.862 0.1 1 1 . . . . . 68 V CB . 12009 1 268 . 1 1 73 73 VAL N N 15 119.155 3.541 9 1 . . . . . 68 V N . 12009 1 269 . 1 1 74 74 VAL H H 1 7.379 0.083 6 1 . . . . . 69 V H . 12009 1 270 . 1 1 74 74 VAL C C 13 175.428 0.1 1 1 . . . . . 69 V C . 12009 1 271 . 1 1 74 74 VAL CA C 13 63.395 0.103 3 1 . . . . . 69 V CA . 12009 1 272 . 1 1 74 74 VAL CB C 13 32.032 0.136 2 1 . . . . . 69 V CB . 12009 1 273 . 1 1 74 74 VAL N N 15 119.638 0.788 6 1 . . . . . 69 V N . 12009 1 274 . 1 1 75 75 GLN H H 1 8.751 0.014 9 1 . . . . . 70 Q H . 12009 1 275 . 1 1 75 75 GLN CA C 13 54.933 0.030 5 1 . . . . . 70 Q CA . 12009 1 276 . 1 1 75 75 GLN CB C 13 30.587 0.003 2 1 . . . . . 70 Q CB . 12009 1 277 . 1 1 75 75 GLN N N 15 125.043 0.026 9 1 . . . . . 70 Q N . 12009 1 278 . 1 1 76 76 ASP H H 1 7.215 0.016 9 1 . . . . . 71 D H . 12009 1 279 . 1 1 76 76 ASP C C 13 174.961 0.1 1 1 . . . . . 71 D C . 12009 1 280 . 1 1 76 76 ASP CA C 13 53.113 0.053 3 1 . . . . . 71 D CA . 12009 1 281 . 1 1 76 76 ASP CB C 13 41.787 0.1 1 1 . . . . . 71 D CB . 12009 1 282 . 1 1 76 76 ASP N N 15 119.924 0.047 9 1 . . . . . 71 D N . 12009 1 283 . 1 1 77 77 SER H H 1 8.292 0.007 5 1 . . . . . 72 S H . 12009 1 284 . 1 1 77 77 SER C C 13 176.214 0.1 1 1 . . . . . 72 S C . 12009 1 285 . 1 1 77 77 SER CA C 13 60.703 0.011 3 1 . . . . . 72 S CA . 12009 1 286 . 1 1 77 77 SER CB C 13 63.026 0.003 2 1 . . . . . 72 S CB . 12009 1 287 . 1 1 77 77 SER N N 15 124.379 0.041 5 1 . . . . . 72 S N . 12009 1 288 . 1 1 78 78 ARG H H 1 8.486 0.004 10 1 . . . . . 73 R H . 12009 1 289 . 1 1 78 78 ARG C C 13 178.421 0.1 1 1 . . . . . 73 R C . 12009 1 290 . 1 1 78 78 ARG CA C 13 58.435 0.040 4 1 . . . . . 73 R CA . 12009 1 291 . 1 1 78 78 ARG CB C 13 30.649 0.042 2 1 . . . . . 73 R CB . 12009 1 292 . 1 1 78 78 ARG N N 15 123.282 0.028 10 1 . . . . . 73 R N . 12009 1 293 . 1 1 79 79 LEU H H 1 8.135 0.006 10 1 . . . . . 74 L H . 12009 1 294 . 1 1 79 79 LEU C C 13 177.490 0.1 1 1 . . . . . 74 L C . 12009 1 295 . 1 1 79 79 LEU CA C 13 56.613 0.021 7 1 . . . . . 74 L CA . 12009 1 296 . 1 1 79 79 LEU CB C 13 41.419 0.061 3 1 . . . . . 74 L CB . 12009 1 297 . 1 1 79 79 LEU N N 15 118.860 0.041 10 1 . . . . . 74 L N . 12009 1 298 . 1 1 80 80 ASP H H 1 7.743 0.004 13 1 . . . . . 75 D H . 12009 1 299 . 1 1 80 80 ASP C C 13 177.098 0.1 1 1 . . . . . 75 D C . 12009 1 300 . 1 1 80 80 ASP CA C 13 55.887 0.083 4 1 . . . . . 75 D CA . 12009 1 301 . 1 1 80 80 ASP CB C 13 40.659 0.133 3 1 . . . . . 75 D CB . 12009 1 302 . 1 1 80 80 ASP N N 15 117.081 0.033 13 1 . . . . . 75 D N . 12009 1 303 . 1 1 81 81 THR H H 1 7.570 0.005 10 1 . . . . . 76 T H . 12009 1 304 . 1 1 81 81 THR C C 13 173.912 0.1 1 1 . . . . . 76 T C . 12009 1 305 . 1 1 81 81 THR CA C 13 62.023 0.061 4 1 . . . . . 76 T CA . 12009 1 306 . 1 1 81 81 THR CB C 13 69.941 0.038 3 1 . . . . . 76 T CB . 12009 1 307 . 1 1 81 81 THR N N 15 108.387 0.029 10 1 . . . . . 76 T N . 12009 1 308 . 1 1 82 82 ILE H H 1 7.365 0.004 11 1 . . . . . 77 I H . 12009 1 309 . 1 1 82 82 ILE C C 13 175.226 0.1 1 1 . . . . . 77 I C . 12009 1 310 . 1 1 82 82 ILE CA C 13 60.288 0.056 5 1 . . . . . 77 I CA . 12009 1 311 . 1 1 82 82 ILE CB C 13 40.158 0.199 3 1 . . . . . 77 I CB . 12009 1 312 . 1 1 82 82 ILE N N 15 122.514 0.032 11 1 . . . . . 77 I N . 12009 1 313 . 1 1 83 83 PHE H H 1 9.661 0.005 12 1 . . . . . 78 F H . 12009 1 314 . 1 1 83 83 PHE C C 13 173.536 0.1 1 1 . . . . . 78 F C . 12009 1 315 . 1 1 83 83 PHE CA C 13 60.084 0.115 5 1 . . . . . 78 F CA . 12009 1 316 . 1 1 83 83 PHE CB C 13 38.115 0.109 4 1 . . . . . 78 F CB . 12009 1 317 . 1 1 83 83 PHE N N 15 129.971 0.043 12 1 . . . . . 78 F N . 12009 1 318 . 1 1 84 84 PHE H H 1 6.800 0.004 12 1 . . . . . 79 F H . 12009 1 319 . 1 1 84 84 PHE C C 13 170.665 0.1 1 1 . . . . . 79 F C . 12009 1 320 . 1 1 84 84 PHE CA C 13 57.294 0.054 7 1 . . . . . 79 F CA . 12009 1 321 . 1 1 84 84 PHE CB C 13 41.256 0.127 3 1 . . . . . 79 F CB . 12009 1 322 . 1 1 84 84 PHE N N 15 127.337 0.047 12 1 . . . . . 79 F N . 12009 1 323 . 1 1 85 85 ALA H H 1 7.843 0.014 14 1 . . . . . 80 A H . 12009 1 324 . 1 1 85 85 ALA CA C 13 48.633 0.055 3 1 . . . . . 80 A CA . 12009 1 325 . 1 1 85 85 ALA CB C 13 21.602 0.021 2 1 . . . . . 80 A CB . 12009 1 326 . 1 1 85 85 ALA N N 15 129.047 0.067 14 1 . . . . . 80 A N . 12009 1 327 . 1 1 86 86 LYS H H 1 6.860 0.005 6 1 . . . . . 81 K H . 12009 1 328 . 1 1 86 86 LYS C C 13 176.725 0.1 1 1 . . . . . 81 K C . 12009 1 329 . 1 1 86 86 LYS CA C 13 55.474 0.009 3 1 . . . . . 81 K CA . 12009 1 330 . 1 1 86 86 LYS N N 15 119.888 0.100 6 1 . . . . . 81 K N . 12009 1 331 . 1 1 87 87 GLN H H 1 7.972 0.005 6 1 . . . . . 82 Q H . 12009 1 332 . 1 1 87 87 GLN C C 13 175.018 0.1 1 1 . . . . . 82 Q C . 12009 1 333 . 1 1 87 87 GLN CA C 13 56.445 0.080 4 1 . . . . . 82 Q CA . 12009 1 334 . 1 1 87 87 GLN CB C 13 28.933 0.1 1 1 . . . . . 82 Q CB . 12009 1 335 . 1 1 87 87 GLN N N 15 119.806 0.042 6 1 . . . . . 82 Q N . 12009 1 336 . 1 1 88 88 VAL H H 1 8.452 0.007 8 1 . . . . . 83 V H . 12009 1 337 . 1 1 88 88 VAL C C 13 176.824 0.1 1 1 . . . . . 83 V C . 12009 1 338 . 1 1 88 88 VAL CA C 13 63.058 0.033 3 1 . . . . . 83 V CA . 12009 1 339 . 1 1 88 88 VAL N N 15 125.740 0.035 8 1 . . . . . 83 V N . 12009 1 340 . 1 1 89 89 ILE H H 1 8.317 0.002 6 1 . . . . . 84 I H . 12009 1 341 . 1 1 89 89 ILE C C 13 181.866 0.1 1 1 . . . . . 84 I C . 12009 1 342 . 1 1 89 89 ILE CA C 13 59.412 0.106 3 1 . . . . . 84 I CA . 12009 1 343 . 1 1 89 89 ILE N N 15 122.767 0.045 6 1 . . . . . 84 I N . 12009 1 344 . 1 1 90 90 ASN H H 1 8.705 0.006 6 1 . . . . . 85 N H . 12009 1 345 . 1 1 90 90 ASN C C 13 174.834 0.1 1 1 . . . . . 85 N C . 12009 1 346 . 1 1 90 90 ASN CA C 13 46.981 0.086 3 1 . . . . . 85 N CA . 12009 1 347 . 1 1 90 90 ASN N N 15 113.360 0.048 6 1 . . . . . 85 N N . 12009 1 348 . 1 1 91 91 ASN H H 1 8.614 0.011 6 1 . . . . . 86 N H . 12009 1 349 . 1 1 91 91 ASN CA C 13 53.225 0.1 1 1 . . . . . 86 N CA . 12009 1 350 . 1 1 91 91 ASN N N 15 127.309 0.111 6 1 . . . . . 86 N N . 12009 1 351 . 1 1 92 92 ALA H H 1 8.116 0.003 3 1 . . . . . 87 A H . 12009 1 352 . 1 1 92 92 ALA C C 13 178.734 0.1 1 1 . . . . . 87 A C . 12009 1 353 . 1 1 92 92 ALA CA C 13 55.705 0.041 3 1 . . . . . 87 A CA . 12009 1 354 . 1 1 92 92 ALA N N 15 120.362 0.045 3 1 . . . . . 87 A N . 12009 1 355 . 1 1 93 93 CYS H H 1 6.750 0.005 5 1 . . . . . 88 C H . 12009 1 356 . 1 1 93 93 CYS C C 13 174.717 0.1 1 1 . . . . . 88 C C . 12009 1 357 . 1 1 93 93 CYS N N 15 115.221 0.036 5 1 . . . . . 88 C N . 12009 1 358 . 1 1 94 94 ALA H H 1 8.849 0.025 3 1 . . . . . 89 A H . 12009 1 359 . 1 1 94 94 ALA C C 13 178.620 0.1 1 1 . . . . . 89 A C . 12009 1 360 . 1 1 94 94 ALA CA C 13 55.507 0.1 0 1 . . . . . 89 A CA . 12009 1 361 . 1 1 94 94 ALA CB C 13 18.883 0.1 0 1 . . . . . 89 A CB . 12009 1 362 . 1 1 94 94 ALA N N 15 119.839 0.102 3 1 . . . . . 89 A N . 12009 1 363 . 1 1 95 95 THR H H 1 8.450 0.003 3 1 . . . . . 90 T H . 12009 1 364 . 1 1 95 95 THR C C 13 176.133 0.1 1 1 . . . . . 90 T C . 12009 1 365 . 1 1 95 95 THR N N 15 113.698 0.039 3 1 . . . . . 90 T N . 12009 1 366 . 1 1 96 96 GLN H H 1 8.483 0.010 5 1 . . . . . 91 Q H . 12009 1 367 . 1 1 96 96 GLN C C 13 178.509 0.1 1 1 . . . . . 91 Q C . 12009 1 368 . 1 1 96 96 GLN CA C 13 60.290 0.032 4 1 . . . . . 91 Q CA . 12009 1 369 . 1 1 96 96 GLN CB C 13 27.006 0.097 2 1 . . . . . 91 Q CB . 12009 1 370 . 1 1 96 96 GLN N N 15 120.552 0.040 5 1 . . . . . 91 Q N . 12009 1 371 . 1 1 97 97 ALA H H 1 8.279 0.011 9 1 . . . . . 92 A H . 12009 1 372 . 1 1 97 97 ALA C C 13 180.108 0.1 1 1 . . . . . 92 A C . 12009 1 373 . 1 1 97 97 ALA CA C 13 55.236 0.006 2 1 . . . . . 92 A CA . 12009 1 374 . 1 1 97 97 ALA CB C 13 18.480 0.203 2 1 . . . . . 92 A CB . 12009 1 375 . 1 1 97 97 ALA N N 15 125.238 0.030 9 1 . . . . . 92 A N . 12009 1 376 . 1 1 98 98 ILE H H 1 7.948 0.009 6 1 . . . . . 93 I H . 12009 1 377 . 1 1 98 98 ILE C C 13 178.751 0.1 1 1 . . . . . 93 I C . 12009 1 378 . 1 1 98 98 ILE CA C 13 65.963 0.027 4 1 . . . . . 93 I CA . 12009 1 379 . 1 1 98 98 ILE CB C 13 38.363 0.1 1 1 . . . . . 93 I CB . 12009 1 380 . 1 1 98 98 ILE N N 15 119.041 0.074 6 1 . . . . . 93 I N . 12009 1 381 . 1 1 99 99 VAL H H 1 8.984 0.014 8 1 . . . . . 94 V H . 12009 1 382 . 1 1 99 99 VAL C C 13 176.691 0.1 1 1 . . . . . 94 V C . 12009 1 383 . 1 1 99 99 VAL CA C 13 66.868 0.151 2 1 . . . . . 94 V CA . 12009 1 384 . 1 1 99 99 VAL CB C 13 30.855 0.1 1 1 . . . . . 94 V CB . 12009 1 385 . 1 1 99 99 VAL N N 15 119.166 0.029 8 1 . . . . . 94 V N . 12009 1 386 . 1 1 100 100 SER H H 1 7.930 0.016 7 1 . . . . . 95 S H . 12009 1 387 . 1 1 100 100 SER C C 13 174.603 0.1 1 1 . . . . . 95 S C . 12009 1 388 . 1 1 100 100 SER CA C 13 63.165 0.048 3 1 . . . . . 95 S CA . 12009 1 389 . 1 1 100 100 SER CB C 13 62.613 0.1 1 1 . . . . . 95 S CB . 12009 1 390 . 1 1 100 100 SER N N 15 114.586 0.059 7 1 . . . . . 95 S N . 12009 1 391 . 1 1 101 101 VAL H H 1 7.176 0.017 6 1 . . . . . 96 V H . 12009 1 392 . 1 1 101 101 VAL CB C 13 33.805 0.1 0 1 . . . . . 96 V CB . 12009 1 393 . 1 1 101 101 VAL N N 15 119.040 0.098 6 1 . . . . . 96 V N . 12009 1 394 . 1 1 102 102 LEU H H 1 7.946 0.01 1 1 . . . . . 97 L H . 12009 1 395 . 1 1 102 102 LEU CA C 13 58.185 0.1 1 1 . . . . . 97 L CA . 12009 1 396 . 1 1 102 102 LEU N N 15 120.330 0.05 1 1 . . . . . 97 L N . 12009 1 397 . 1 1 103 103 LEU C C 13 175.035 0.1 1 1 . . . . . 98 L C . 12009 1 398 . 1 1 103 103 LEU CA C 13 59.533 0.038 4 1 . . . . . 98 L CA . 12009 1 399 . 1 1 104 104 ASN H H 1 8.824 0.020 8 1 . . . . . 99 N H . 12009 1 400 . 1 1 104 104 ASN C C 13 173.426 0.1 1 1 . . . . . 99 N C . 12009 1 401 . 1 1 104 104 ASN CA C 13 53.516 0.041 4 1 . . . . . 99 N CA . 12009 1 402 . 1 1 104 104 ASN CB C 13 41.382 0.042 2 1 . . . . . 99 N CB . 12009 1 403 . 1 1 104 104 ASN N N 15 127.494 0.036 8 1 . . . . . 99 N N . 12009 1 404 . 1 1 105 105 CYS H H 1 7.446 0.004 10 1 . . . . . 100 C H . 12009 1 405 . 1 1 105 105 CYS C C 13 174.867 0.1 1 1 . . . . . 100 C C . 12009 1 406 . 1 1 105 105 CYS CA C 13 59.884 0.012 3 1 . . . . . 100 C CA . 12009 1 407 . 1 1 105 105 CYS CB C 13 28.123 0.090 2 1 . . . . . 100 C CB . 12009 1 408 . 1 1 105 105 CYS N N 15 121.721 0.071 10 1 . . . . . 100 C N . 12009 1 409 . 1 1 106 106 THR H H 1 8.964 0.015 8 1 . . . . . 101 T H . 12009 1 410 . 1 1 106 106 THR C C 13 173.845 0.1 1 1 . . . . . 101 T C . 12009 1 411 . 1 1 106 106 THR CA C 13 60.683 0.038 4 1 . . . . . 101 T CA . 12009 1 412 . 1 1 106 106 THR CB C 13 69.194 0.154 3 1 . . . . . 101 T CB . 12009 1 413 . 1 1 106 106 THR N N 15 119.810 0.067 8 1 . . . . . 101 T N . 12009 1 414 . 1 1 107 107 HIS H H 1 8.018 0.007 10 1 . . . . . 102 H H . 12009 1 415 . 1 1 107 107 HIS C C 13 176.802 0.1 1 1 . . . . . 102 H C . 12009 1 416 . 1 1 107 107 HIS CA C 13 59.183 0.033 4 1 . . . . . 102 H CA . 12009 1 417 . 1 1 107 107 HIS CB C 13 33.034 0.074 3 1 . . . . . 102 H CB . 12009 1 418 . 1 1 107 107 HIS N N 15 126.429 0.042 10 1 . . . . . 102 H N . 12009 1 419 . 1 1 108 108 GLN H H 1 8.317 0.008 10 1 . . . . . 103 Q H . 12009 1 420 . 1 1 108 108 GLN CA C 13 58.135 0.063 4 1 . . . . . 103 Q CA . 12009 1 421 . 1 1 108 108 GLN CB C 13 28.395 0.008 2 1 . . . . . 103 Q CB . 12009 1 422 . 1 1 108 108 GLN N N 15 126.242 0.048 10 1 . . . . . 103 Q N . 12009 1 423 . 1 1 109 109 ASP H H 1 10.977 0.004 8 1 . . . . . 104 D H . 12009 1 424 . 1 1 109 109 ASP C C 13 176.293 0.1 1 1 . . . . . 104 D C . 12009 1 425 . 1 1 109 109 ASP CA C 13 56.306 0.073 4 1 . . . . . 104 D CA . 12009 1 426 . 1 1 109 109 ASP CB C 13 40.932 0.072 3 1 . . . . . 104 D CB . 12009 1 427 . 1 1 109 109 ASP N N 15 123.067 0.031 8 1 . . . . . 104 D N . 12009 1 428 . 1 1 110 110 VAL H H 1 7.382 0.004 10 1 . . . . . 105 V H . 12009 1 429 . 1 1 110 110 VAL C C 13 174.382 0.1 1 1 . . . . . 105 V C . 12009 1 430 . 1 1 110 110 VAL CA C 13 62.256 0.052 4 1 . . . . . 105 V CA . 12009 1 431 . 1 1 110 110 VAL CB C 13 32.317 0.041 3 1 . . . . . 105 V CB . 12009 1 432 . 1 1 110 110 VAL N N 15 117.853 0.044 10 1 . . . . . 105 V N . 12009 1 433 . 1 1 111 111 HIS H H 1 8.799 0.021 11 1 . . . . . 106 H H . 12009 1 434 . 1 1 111 111 HIS C C 13 175.180 0.1 1 1 . . . . . 106 H C . 12009 1 435 . 1 1 111 111 HIS CA C 13 54.047 0.081 4 1 . . . . . 106 H CA . 12009 1 436 . 1 1 111 111 HIS CB C 13 31.127 0.094 3 1 . . . . . 106 H CB . 12009 1 437 . 1 1 111 111 HIS N N 15 128.168 0.228 11 1 . . . . . 106 H N . 12009 1 438 . 1 1 112 112 LEU H H 1 8.731 0.004 11 1 . . . . . 107 L H . 12009 1 439 . 1 1 112 112 LEU CA C 13 58.230 0.048 6 1 . . . . . 107 L CA . 12009 1 440 . 1 1 112 112 LEU CB C 13 42.861 0.116 3 1 . . . . . 107 L CB . 12009 1 441 . 1 1 112 112 LEU N N 15 126.593 0.050 11 1 . . . . . 107 L N . 12009 1 442 . 1 1 113 113 GLY H H 1 7.693 0.007 9 1 . . . . . 108 G H . 12009 1 443 . 1 1 113 113 GLY C C 13 175.349 0.1 1 1 . . . . . 108 G C . 12009 1 444 . 1 1 113 113 GLY CA C 13 44.052 0.019 4 1 . . . . . 108 G CA . 12009 1 445 . 1 1 113 113 GLY N N 15 102.042 0.032 9 1 . . . . . 108 G N . 12009 1 446 . 1 1 114 114 GLU H H 1 8.707 0.006 8 1 . . . . . 109 E H . 12009 1 447 . 1 1 114 114 GLU C C 13 178.196 0.1 1 1 . . . . . 109 E C . 12009 1 448 . 1 1 114 114 GLU CA C 13 60.716 0.007 4 1 . . . . . 109 E CA . 12009 1 449 . 1 1 114 114 GLU CB C 13 30.068 0.034 3 1 . . . . . 109 E CB . 12009 1 450 . 1 1 114 114 GLU N N 15 119.694 0.034 8 1 . . . . . 109 E N . 12009 1 451 . 1 1 115 115 THR H H 1 8.281 0.004 10 1 . . . . . 110 T H . 12009 1 452 . 1 1 115 115 THR C C 13 177.710 0.1 1 1 . . . . . 110 T C . 12009 1 453 . 1 1 115 115 THR CA C 13 67.067 0.031 4 1 . . . . . 110 T CA . 12009 1 454 . 1 1 115 115 THR CB C 13 68.652 0.094 2 1 . . . . . 110 T CB . 12009 1 455 . 1 1 115 115 THR N N 15 117.711 0.042 10 1 . . . . . 110 T N . 12009 1 456 . 1 1 116 116 LEU H H 1 9.818 0.020 11 1 . . . . . 111 L H . 12009 1 457 . 1 1 116 116 LEU C C 13 178.827 0.1 1 1 . . . . . 111 L C . 12009 1 458 . 1 1 116 116 LEU CA C 13 57.150 0.034 6 1 . . . . . 111 L CA . 12009 1 459 . 1 1 116 116 LEU CB C 13 40.591 0.081 4 1 . . . . . 111 L CB . 12009 1 460 . 1 1 116 116 LEU N N 15 121.030 0.055 11 1 . . . . . 111 L N . 12009 1 461 . 1 1 117 117 SER H H 1 7.939 0.012 11 1 . . . . . 112 S H . 12009 1 462 . 1 1 117 117 SER C C 13 180.241 0.1 1 1 . . . . . 112 S C . 12009 1 463 . 1 1 117 117 SER CA C 13 63.115 0.049 3 1 . . . . . 112 S CA . 12009 1 464 . 1 1 117 117 SER N N 15 115.849 0.064 11 1 . . . . . 112 S N . 12009 1 465 . 1 1 118 118 GLU H H 1 7.459 0.003 5 1 . . . . . 113 E H . 12009 1 466 . 1 1 118 118 GLU CA C 13 56.213 0.1 1 1 . . . . . 113 E CA . 12009 1 467 . 1 1 118 118 GLU CB C 13 32.422 0.060 2 1 . . . . . 113 E CB . 12009 1 468 . 1 1 118 118 GLU N N 15 111.344 0.034 5 1 . . . . . 113 E N . 12009 1 469 . 1 1 119 119 PHE H H 1 7.754 0.018 6 1 . . . . . 114 F H . 12009 1 470 . 1 1 119 119 PHE CA C 13 61.871 0.1 1 1 . . . . . 114 F CA . 12009 1 471 . 1 1 119 119 PHE CB C 13 38.351 0.050 3 1 . . . . . 114 F CB . 12009 1 472 . 1 1 119 119 PHE N N 15 120.001 0.049 6 1 . . . . . 114 F N . 12009 1 473 . 1 1 120 120 LYS H H 1 8.053 0.020 6 1 . . . . . 115 K H . 12009 1 474 . 1 1 120 120 LYS N N 15 122.762 0.062 6 1 . . . . . 115 K N . 12009 1 475 . 1 1 121 121 GLU C C 13 178.848 0.1 1 1 . . . . . 116 E C . 12009 1 476 . 1 1 121 121 GLU CA C 13 59.130 0.024 3 1 . . . . . 116 E CA . 12009 1 477 . 1 1 121 121 GLU CB C 13 29.587 0.016 2 1 . . . . . 116 E CB . 12009 1 478 . 1 1 122 122 PHE H H 1 8.382 0.006 10 1 . . . . . 117 F H . 12009 1 479 . 1 1 122 122 PHE C C 13 176.566 0.1 1 1 . . . . . 117 F C . 12009 1 480 . 1 1 122 122 PHE CA C 13 59.576 0.058 6 1 . . . . . 117 F CA . 12009 1 481 . 1 1 122 122 PHE CB C 13 39.478 0.139 5 1 . . . . . 117 F CB . 12009 1 482 . 1 1 122 122 PHE N N 15 119.176 0.044 10 1 . . . . . 117 F N . 12009 1 483 . 1 1 123 123 SER H H 1 7.438 0.005 15 1 . . . . . 118 S H . 12009 1 484 . 1 1 123 123 SER C C 13 176.028 0.1 1 1 . . . . . 118 S C . 12009 1 485 . 1 1 123 123 SER CA C 13 57.572 0.070 4 1 . . . . . 118 S CA . 12009 1 486 . 1 1 123 123 SER CB C 13 64.999 0.019 3 1 . . . . . 118 S CB . 12009 1 487 . 1 1 123 123 SER N N 15 108.456 0.029 15 1 . . . . . 118 S N . 12009 1 488 . 1 1 124 124 GLN H H 1 6.949 0.006 10 1 . . . . . 119 Q H . 12009 1 489 . 1 1 124 124 GLN C C 13 176.896 0.1 1 1 . . . . . 119 Q C . 12009 1 490 . 1 1 124 124 GLN CA C 13 59.686 0.076 4 1 . . . . . 119 Q CA . 12009 1 491 . 1 1 124 124 GLN CB C 13 28.316 0.102 3 1 . . . . . 119 Q CB . 12009 1 492 . 1 1 124 124 GLN N N 15 122.685 0.061 10 1 . . . . . 119 Q N . 12009 1 493 . 1 1 125 125 SER H H 1 8.244 0.011 10 1 . . . . . 120 S H . 12009 1 494 . 1 1 125 125 SER C C 13 174.537 0.1 1 1 . . . . . 120 S C . 12009 1 495 . 1 1 125 125 SER CA C 13 58.890 0.037 4 1 . . . . . 120 S CA . 12009 1 496 . 1 1 125 125 SER CB C 13 63.512 0.018 2 1 . . . . . 120 S CB . 12009 1 497 . 1 1 125 125 SER N N 15 112.061 0.032 10 1 . . . . . 120 S N . 12009 1 498 . 1 1 126 126 PHE H H 1 7.389 0.004 9 1 . . . . . 121 F H . 12009 1 499 . 1 1 126 126 PHE C C 13 176.714 0.1 1 1 . . . . . 121 F C . 12009 1 500 . 1 1 126 126 PHE CA C 13 53.699 0.135 5 1 . . . . . 121 F CA . 12009 1 501 . 1 1 126 126 PHE CB C 13 38.543 0.067 2 1 . . . . . 121 F CB . 12009 1 502 . 1 1 126 126 PHE N N 15 121.722 0.026 9 1 . . . . . 121 F N . 12009 1 503 . 1 1 127 127 ASP H H 1 8.314 0.006 11 1 . . . . . 122 D H . 12009 1 504 . 1 1 127 127 ASP C C 13 175.611 0.1 1 1 . . . . . 122 D C . 12009 1 505 . 1 1 127 127 ASP CA C 13 53.107 0.023 4 1 . . . . . 122 D CA . 12009 1 506 . 1 1 127 127 ASP CB C 13 40.389 0.082 3 1 . . . . . 122 D CB . 12009 1 507 . 1 1 127 127 ASP N N 15 120.911 0.058 11 1 . . . . . 122 D N . 12009 1 508 . 1 1 128 128 ALA H H 1 8.534 0.005 10 1 . . . . . 123 A H . 12009 1 509 . 1 1 128 128 ALA C C 13 181.413 0.1 1 1 . . . . . 123 A C . 12009 1 510 . 1 1 128 128 ALA CA C 13 55.924 0.032 4 1 . . . . . 123 A CA . 12009 1 511 . 1 1 128 128 ALA CB C 13 19.696 0.047 3 1 . . . . . 123 A CB . 12009 1 512 . 1 1 128 128 ALA N N 15 120.018 0.035 10 1 . . . . . 123 A N . 12009 1 513 . 1 1 129 129 ALA H H 1 8.362 0.004 10 1 . . . . . 124 A H . 12009 1 514 . 1 1 129 129 ALA C C 13 180.008 0.1 1 1 . . . . . 124 A C . 12009 1 515 . 1 1 129 129 ALA CA C 13 55.344 0.021 4 1 . . . . . 124 A CA . 12009 1 516 . 1 1 129 129 ALA CB C 13 17.837 0.076 3 1 . . . . . 124 A CB . 12009 1 517 . 1 1 129 129 ALA N N 15 122.748 0.049 10 1 . . . . . 124 A N . 12009 1 518 . 1 1 130 130 MET H H 1 8.681 0.005 10 1 . . . . . 125 M H . 12009 1 519 . 1 1 130 130 MET C C 13 179.795 0.1 1 1 . . . . . 125 M C . 12009 1 520 . 1 1 130 130 MET CA C 13 57.487 0.052 4 1 . . . . . 125 M CA . 12009 1 521 . 1 1 130 130 MET CB C 13 31.593 0.131 3 1 . . . . . 125 M CB . 12009 1 522 . 1 1 130 130 MET N N 15 120.134 0.043 10 1 . . . . . 125 M N . 12009 1 523 . 1 1 131 131 LYS H H 1 9.510 0.007 10 1 . . . . . 126 K H . 12009 1 524 . 1 1 131 131 LYS CA C 13 62.248 0.067 4 1 . . . . . 126 K CA . 12009 1 525 . 1 1 131 131 LYS CB C 13 34.191 0.088 3 1 . . . . . 126 K CB . 12009 1 526 . 1 1 131 131 LYS N N 15 121.880 0.049 10 1 . . . . . 126 K N . 12009 1 527 . 1 1 132 132 GLY H H 1 7.735 0.010 8 1 . . . . . 127 G H . 12009 1 528 . 1 1 132 132 GLY C C 13 177.267 0.1 1 1 . . . . . 127 G C . 12009 1 529 . 1 1 132 132 GLY CA C 13 47.912 0.021 4 1 . . . . . 127 G CA . 12009 1 530 . 1 1 132 132 GLY N N 15 105.107 0.039 8 1 . . . . . 127 G N . 12009 1 531 . 1 1 133 133 LEU H H 1 8.289 0.004 8 1 . . . . . 128 L H . 12009 1 532 . 1 1 133 133 LEU C C 13 178.811 0.1 1 1 . . . . . 128 L C . 12009 1 533 . 1 1 133 133 LEU CA C 13 57.791 0.035 6 1 . . . . . 128 L CA . 12009 1 534 . 1 1 133 133 LEU CB C 13 41.959 0.039 4 1 . . . . . 128 L CB . 12009 1 535 . 1 1 133 133 LEU N N 15 125.798 0.032 8 1 . . . . . 128 L N . 12009 1 536 . 1 1 134 134 ALA H H 1 8.899 0.012 14 1 . . . . . 129 A H . 12009 1 537 . 1 1 134 134 ALA C C 13 180.590 0.1 1 1 . . . . . 129 A C . 12009 1 538 . 1 1 134 134 ALA CA C 13 55.207 0.027 4 1 . . . . . 129 A CA . 12009 1 539 . 1 1 134 134 ALA CB C 13 17.788 0.097 3 1 . . . . . 129 A CB . 12009 1 540 . 1 1 134 134 ALA N N 15 122.205 0.028 14 1 . . . . . 129 A N . 12009 1 541 . 1 1 135 135 LEU H H 1 8.205 0.008 10 1 . . . . . 130 L H . 12009 1 542 . 1 1 135 135 LEU C C 13 178.084 0.1 1 1 . . . . . 130 L C . 12009 1 543 . 1 1 135 135 LEU CA C 13 58.896 0.028 6 1 . . . . . 130 L CA . 12009 1 544 . 1 1 135 135 LEU CB C 13 41.481 0.094 5 1 . . . . . 130 L CB . 12009 1 545 . 1 1 135 135 LEU N N 15 119.338 0.054 10 1 . . . . . 130 L N . 12009 1 546 . 1 1 136 136 SER H H 1 7.623 0.008 15 1 . . . . . 131 S H . 12009 1 547 . 1 1 136 136 SER C C 13 174.817 0.1 1 1 . . . . . 131 S C . 12009 1 548 . 1 1 136 136 SER CA C 13 61.529 0.080 4 1 . . . . . 131 S CA . 12009 1 549 . 1 1 136 136 SER CB C 13 63.056 0.065 3 1 . . . . . 131 S CB . 12009 1 550 . 1 1 136 136 SER N N 15 111.653 0.056 15 1 . . . . . 131 S N . 12009 1 551 . 1 1 137 137 ASN H H 1 7.843 0.004 10 1 . . . . . 132 N H . 12009 1 552 . 1 1 137 137 ASN C C 13 174.642 0.1 1 1 . . . . . 132 N C . 12009 1 553 . 1 1 137 137 ASN CA C 13 52.812 0.009 4 1 . . . . . 132 N CA . 12009 1 554 . 1 1 137 137 ASN CB C 13 39.444 0.069 3 1 . . . . . 132 N CB . 12009 1 555 . 1 1 137 137 ASN N N 15 117.566 0.049 10 1 . . . . . 132 N N . 12009 1 556 . 1 1 138 138 SER H H 1 7.479 0.006 10 1 . . . . . 133 S H . 12009 1 557 . 1 1 138 138 SER C C 13 175.432 0.1 1 1 . . . . . 133 S C . 12009 1 558 . 1 1 138 138 SER CA C 13 57.731 0.004 2 1 . . . . . 133 S CA . 12009 1 559 . 1 1 138 138 SER CB C 13 62.022 0.1 1 1 . . . . . 133 S CB . 12009 1 560 . 1 1 138 138 SER N N 15 116.658 0.051 10 1 . . . . . 133 S N . 12009 1 561 . 1 1 139 139 ASP H H 1 8.209 0.002 5 1 . . . . . 134 D H . 12009 1 562 . 1 1 139 139 ASP C C 13 176.434 0.1 1 1 . . . . . 134 D C . 12009 1 563 . 1 1 139 139 ASP CA C 13 54.440 0.008 3 1 . . . . . 134 D CA . 12009 1 564 . 1 1 139 139 ASP CB C 13 41.014 0.1 0 1 . . . . . 134 D CB . 12009 1 565 . 1 1 139 139 ASP N N 15 121.180 0.032 5 1 . . . . . 134 D N . 12009 1 566 . 1 1 140 140 VAL H H 1 8.005 0.005 6 1 . . . . . 135 V H . 12009 1 567 . 1 1 140 140 VAL CA C 13 63.923 1.639 2 1 . . . . . 135 V CA . 12009 1 568 . 1 1 140 140 VAL CB C 13 31.652 0.1 1 1 . . . . . 135 V CB . 12009 1 569 . 1 1 140 140 VAL N N 15 114.023 0.027 6 1 . . . . . 135 V N . 12009 1 570 . 1 1 141 141 ILE H H 1 7.329 0.001 2 1 . . . . . 136 I H . 12009 1 571 . 1 1 141 141 ILE C C 13 177.055 0.1 1 1 . . . . . 136 I C . 12009 1 572 . 1 1 141 141 ILE N N 15 119.951 0.006 2 1 . . . . . 136 I N . 12009 1 573 . 1 1 142 142 ARG H H 1 7.962 0.009 5 1 . . . . . 137 R H . 12009 1 574 . 1 1 142 142 ARG CA C 13 59.078 0.1 1 1 . . . . . 137 R CA . 12009 1 575 . 1 1 142 142 ARG CB C 13 30.849 0.086 2 1 . . . . . 137 R CB . 12009 1 576 . 1 1 142 142 ARG N N 15 120.429 0.038 5 1 . . . . . 137 R N . 12009 1 577 . 1 1 143 143 GLN H H 1 7.943 0.032 6 1 . . . . . 138 Q H . 12009 1 578 . 1 1 143 143 GLN C C 13 179.545 0.1 1 1 . . . . . 138 Q C . 12009 1 579 . 1 1 143 143 GLN CA C 13 59.144 0.023 4 1 . . . . . 138 Q CA . 12009 1 580 . 1 1 143 143 GLN CB C 13 28.163 0.073 2 1 . . . . . 138 Q CB . 12009 1 581 . 1 1 143 143 GLN N N 15 115.648 0.069 6 1 . . . . . 138 Q N . 12009 1 582 . 1 1 144 144 VAL H H 1 7.649 0.007 9 1 . . . . . 139 V H . 12009 1 583 . 1 1 144 144 VAL C C 13 178.543 0.1 1 1 . . . . . 139 V C . 12009 1 584 . 1 1 144 144 VAL CA C 13 66.955 0.017 3 1 . . . . . 139 V CA . 12009 1 585 . 1 1 144 144 VAL CB C 13 31.411 0.002 2 1 . . . . . 139 V CB . 12009 1 586 . 1 1 144 144 VAL N N 15 121.087 0.033 9 1 . . . . . 139 V N . 12009 1 587 . 1 1 145 145 HIS H H 1 8.269 0.035 8 1 . . . . . 140 H H . 12009 1 588 . 1 1 145 145 HIS C C 13 177.703 0.1 1 1 . . . . . 140 H C . 12009 1 589 . 1 1 145 145 HIS CA C 13 61.132 0.085 4 1 . . . . . 140 H CA . 12009 1 590 . 1 1 145 145 HIS CB C 13 32.002 0.1 1 1 . . . . . 140 H CB . 12009 1 591 . 1 1 145 145 HIS N N 15 120.771 0.277 8 1 . . . . . 140 H N . 12009 1 592 . 1 1 146 146 ASN H H 1 8.913 0.006 9 1 . . . . . 141 N H . 12009 1 593 . 1 1 146 146 ASN C C 13 177.964 0.1 1 1 . . . . . 141 N C . 12009 1 594 . 1 1 146 146 ASN CA C 13 55.145 0.040 4 1 . . . . . 141 N CA . 12009 1 595 . 1 1 146 146 ASN CB C 13 37.043 0.141 3 1 . . . . . 141 N CB . 12009 1 596 . 1 1 146 146 ASN N N 15 115.456 0.031 9 1 . . . . . 141 N N . 12009 1 597 . 1 1 147 147 SER H H 1 7.960 0.006 10 1 . . . . . 142 S H . 12009 1 598 . 1 1 147 147 SER C C 13 175.126 0.1 1 1 . . . . . 142 S C . 12009 1 599 . 1 1 147 147 SER CA C 13 61.466 0.003 3 1 . . . . . 142 S CA . 12009 1 600 . 1 1 147 147 SER CB C 13 62.308 0.049 3 1 . . . . . 142 S CB . 12009 1 601 . 1 1 147 147 SER N N 15 117.477 0.045 10 1 . . . . . 142 S N . 12009 1 602 . 1 1 148 148 PHE H H 1 7.376 0.004 10 1 . . . . . 143 F H . 12009 1 603 . 1 1 148 148 PHE C C 13 175.465 0.1 1 1 . . . . . 143 F C . 12009 1 604 . 1 1 148 148 PHE CA C 13 59.957 0.101 5 1 . . . . . 143 F CA . 12009 1 605 . 1 1 148 148 PHE CB C 13 39.673 0.089 3 1 . . . . . 143 F CB . 12009 1 606 . 1 1 148 148 PHE N N 15 119.137 0.039 10 1 . . . . . 143 F N . 12009 1 607 . 1 1 149 149 ALA H H 1 7.682 0.007 11 1 . . . . . 144 A H . 12009 1 608 . 1 1 149 149 ALA C C 13 177.531 0.1 1 1 . . . . . 144 A C . 12009 1 609 . 1 1 149 149 ALA CA C 13 53.159 0.008 4 1 . . . . . 144 A CA . 12009 1 610 . 1 1 149 149 ALA CB C 13 19.711 0.103 3 1 . . . . . 144 A CB . 12009 1 611 . 1 1 149 149 ALA N N 15 123.338 0.057 11 1 . . . . . 144 A N . 12009 1 612 . 1 1 150 150 ARG H H 1 8.293 0.008 10 1 . . . . . 145 R H . 12009 1 613 . 1 1 150 150 ARG CA C 13 57.187 0.184 3 1 . . . . . 145 R CA . 12009 1 614 . 1 1 150 150 ARG CB C 13 30.397 0.1 1 1 . . . . . 145 R CB . 12009 1 615 . 1 1 150 150 ARG N N 15 118.679 0.051 10 1 . . . . . 145 R N . 12009 1 616 . 1 1 151 151 GLN H H 1 8.327 0.01 2 1 . . . . . 146 Q H . 12009 1 617 . 1 1 151 151 GLN N N 15 120.730 0.001 2 1 . . . . . 146 Q N . 12009 1 618 . 1 1 152 152 GLN C C 13 177.048 0.1 1 1 . . . . . 147 Q C . 12009 1 619 . 1 1 152 152 GLN CA C 13 59.188 0.1 0 1 . . . . . 147 Q CA . 12009 1 620 . 1 1 152 152 GLN CB C 13 32.063 0.1 0 1 . . . . . 147 Q CB . 12009 1 621 . 1 1 153 153 MET H H 1 8.324 0.008 4 1 . . . . . 148 M H . 12009 1 622 . 1 1 153 153 MET C C 13 175.515 0.1 1 1 . . . . . 148 M C . 12009 1 623 . 1 1 153 153 MET CA C 13 53.938 0.060 3 1 . . . . . 148 M CA . 12009 1 624 . 1 1 153 153 MET CB C 13 32.026 0.1 0 1 . . . . . 148 M CB . 12009 1 625 . 1 1 153 153 MET N N 15 120.729 0.069 4 1 . . . . . 148 M N . 12009 1 626 . 1 1 154 154 PHE H H 1 8.985 0.005 5 1 . . . . . 149 F H . 12009 1 627 . 1 1 154 154 PHE CA C 13 63.087 0.1 1 1 . . . . . 149 F CA . 12009 1 628 . 1 1 154 154 PHE N N 15 125.834 0.043 5 1 . . . . . 149 F N . 12009 1 629 . 1 1 155 155 GLU H H 1 8.111 0.003 2 1 . . . . . 150 E H . 12009 1 630 . 1 1 155 155 GLU CA C 13 55.633 0.1 1 1 . . . . . 150 E CA . 12009 1 631 . 1 1 155 155 GLU CB C 13 32.865 0.012 3 1 . . . . . 150 E CB . 12009 1 632 . 1 1 155 155 GLU N N 15 120.405 0.013 2 1 . . . . . 150 E N . 12009 1 633 . 1 1 156 156 PHE H H 1 8.063 0.001 4 1 . . . . . 151 F H . 12009 1 634 . 1 1 156 156 PHE CA C 13 57.623 0.123 2 1 . . . . . 151 F CA . 12009 1 635 . 1 1 156 156 PHE CB C 13 39.512 0.036 3 1 . . . . . 151 F CB . 12009 1 636 . 1 1 156 156 PHE N N 15 120.258 0.030 4 1 . . . . . 151 F N . 12009 1 637 . 1 1 157 157 ASP H H 1 8.206 0.009 5 1 . . . . . 152 D H . 12009 1 638 . 1 1 157 157 ASP CA C 13 54.359 0.1 1 1 . . . . . 152 D CA . 12009 1 639 . 1 1 157 157 ASP CB C 13 41.278 0.042 3 1 . . . . . 152 D CB . 12009 1 640 . 1 1 157 157 ASP N N 15 121.203 0.059 5 1 . . . . . 152 D N . 12009 1 641 . 1 1 158 158 THR H H 1 7.995 0.001 4 1 . . . . . 153 T H . 12009 1 642 . 1 1 158 158 THR C C 13 176.014 0.1 1 1 . . . . . 153 T C . 12009 1 643 . 1 1 158 158 THR CA C 13 61.625 0.383 3 1 . . . . . 153 T CA . 12009 1 644 . 1 1 158 158 THR CB C 13 69.452 0.021 3 1 . . . . . 153 T CB . 12009 1 645 . 1 1 158 158 THR N N 15 114.035 0.034 4 1 . . . . . 153 T N . 12009 1 646 . 1 1 159 159 LYS H H 1 8.168 0.080 9 1 . . . . . 154 K H . 12009 1 647 . 1 1 159 159 LYS C C 13 176.609 0.1 1 1 . . . . . 154 K C . 12009 1 648 . 1 1 159 159 LYS CA C 13 56.345 0.001 2 1 . . . . . 154 K CA . 12009 1 649 . 1 1 159 159 LYS CB C 13 32.493 0.1 1 1 . . . . . 154 K CB . 12009 1 650 . 1 1 159 159 LYS N N 15 123.030 0.306 9 1 . . . . . 154 K N . 12009 1 651 . 1 1 160 160 THR H H 1 7.773 0.008 6 1 . . . . . 155 T H . 12009 1 652 . 1 1 160 160 THR C C 13 174.545 0.1 1 1 . . . . . 155 T C . 12009 1 653 . 1 1 160 160 THR CA C 13 61.957 0.061 3 1 . . . . . 155 T CA . 12009 1 654 . 1 1 160 160 THR CB C 13 69.739 0.128 2 1 . . . . . 155 T CB . 12009 1 655 . 1 1 160 160 THR N N 15 120.000 0.062 6 1 . . . . . 155 T N . 12009 1 656 . 1 1 161 161 SER H H 1 8.150 0.007 9 1 . . . . . 156 S H . 12009 1 657 . 1 1 161 161 SER C C 13 174.054 0.1 1 1 . . . . . 156 S C . 12009 1 658 . 1 1 161 161 SER CA C 13 58.308 0.050 4 1 . . . . . 156 S CA . 12009 1 659 . 1 1 161 161 SER CB C 13 63.963 0.075 3 1 . . . . . 156 S CB . 12009 1 660 . 1 1 161 161 SER N N 15 117.718 0.063 9 1 . . . . . 156 S N . 12009 1 661 . 1 1 162 162 ALA H H 1 8.236 0.013 10 1 . . . . . 157 A H . 12009 1 662 . 1 1 162 162 ALA C C 13 177.000 0.1 1 1 . . . . . 157 A C . 12009 1 663 . 1 1 162 162 ALA CA C 13 52.546 0.024 4 1 . . . . . 157 A CA . 12009 1 664 . 1 1 162 162 ALA CB C 13 19.169 0.091 3 1 . . . . . 157 A CB . 12009 1 665 . 1 1 162 162 ALA N N 15 125.787 0.044 10 1 . . . . . 157 A N . 12009 1 666 . 1 1 163 163 LYS H H 1 8.192 0.007 9 1 . . . . . 158 K H . 12009 1 667 . 1 1 163 163 LYS CA C 13 56.049 0.098 2 1 . . . . . 158 K CA . 12009 1 668 . 1 1 163 163 LYS CB C 13 33.025 0.1 1 1 . . . . . 158 K CB . 12009 1 669 . 1 1 163 163 LYS N N 15 120.422 0.050 9 1 . . . . . 158 K N . 12009 1 670 . 1 1 164 164 GLU H H 1 7.871 0.016 4 1 . . . . . 159 E H . 12009 1 671 . 1 1 164 164 GLU N N 15 117.953 0.055 4 1 . . . . . 159 E N . 12009 1 672 . 1 1 165 165 GLU H H 1 8.436 0.01 1 1 . . . . . 160 E H . 12009 1 673 . 1 1 165 165 GLU CA C 13 56.717 0.122 3 1 . . . . . 160 E CA . 12009 1 674 . 1 1 165 165 GLU CB C 13 30.205 0.045 3 1 . . . . . 160 E CB . 12009 1 675 . 1 1 165 165 GLU N N 15 121.072 0.05 1 1 . . . . . 160 E N . 12009 1 676 . 1 1 166 166 ASP H H 1 8.099 0.012 9 1 . . . . . 161 D H . 12009 1 677 . 1 1 166 166 ASP C C 13 175.187 0.1 1 1 . . . . . 161 D C . 12009 1 678 . 1 1 166 166 ASP CA C 13 54.254 0.032 3 1 . . . . . 161 D CA . 12009 1 679 . 1 1 166 166 ASP CB C 13 41.341 0.055 3 1 . . . . . 161 D CB . 12009 1 680 . 1 1 166 166 ASP N N 15 121.488 0.048 9 1 . . . . . 161 D N . 12009 1 681 . 1 1 167 167 ALA H H 1 7.899 0.010 8 1 . . . . . 162 A H . 12009 1 682 . 1 1 167 167 ALA C C 13 176.677 0.1 1 1 . . . . . 162 A C . 12009 1 683 . 1 1 167 167 ALA CA C 13 51.880 0.129 4 1 . . . . . 162 A CA . 12009 1 684 . 1 1 167 167 ALA CB C 13 17.117 0.1 1 1 . . . . . 162 A CB . 12009 1 685 . 1 1 167 167 ALA N N 15 123.538 0.030 8 1 . . . . . 162 A N . 12009 1 686 . 1 1 168 168 PHE H H 1 7.423 0.008 7 1 . . . . . 163 F H . 12009 1 687 . 1 1 168 168 PHE C C 13 176.135 0.1 1 1 . . . . . 163 F C . 12009 1 688 . 1 1 168 168 PHE CA C 13 58.648 0.001 2 1 . . . . . 163 F CA . 12009 1 689 . 1 1 168 168 PHE N N 15 118.336 0.079 7 1 . . . . . 163 F N . 12009 1 690 . 1 1 169 169 HIS H H 1 8.153 0.008 7 1 . . . . . 164 H H . 12009 1 691 . 1 1 169 169 HIS C C 13 175.772 0.1 1 1 . . . . . 164 H C . 12009 1 692 . 1 1 169 169 HIS CA C 13 56.113 0.632 4 1 . . . . . 164 H CA . 12009 1 693 . 1 1 169 169 HIS CB C 13 30.047 0.031 2 1 . . . . . 164 H CB . 12009 1 694 . 1 1 169 169 HIS N N 15 121.277 0.044 7 1 . . . . . 164 H N . 12009 1 695 . 1 1 170 170 PHE H H 1 8.203 0.194 10 1 . . . . . 165 F H . 12009 1 696 . 1 1 170 170 PHE C C 13 173.736 0.1 1 1 . . . . . 165 F C . 12009 1 697 . 1 1 170 170 PHE CA C 13 57.727 0.042 3 1 . . . . . 165 F CA . 12009 1 698 . 1 1 170 170 PHE CB C 13 41.857 0.1 0 1 . . . . . 165 F CB . 12009 1 699 . 1 1 170 170 PHE N N 15 120.454 0.296 10 1 . . . . . 165 F N . 12009 1 700 . 1 1 171 171 VAL H H 1 8.417 0.003 5 1 . . . . . 166 V H . 12009 1 701 . 1 1 171 171 VAL C C 13 174.907 0.1 1 1 . . . . . 166 V C . 12009 1 702 . 1 1 171 171 VAL CA C 13 62.317 0.024 3 1 . . . . . 166 V CA . 12009 1 703 . 1 1 171 171 VAL CB C 13 32.364 0.1 0 1 . . . . . 166 V CB . 12009 1 704 . 1 1 171 171 VAL N N 15 124.145 0.038 5 1 . . . . . 166 V N . 12009 1 705 . 1 1 172 172 SER H H 1 8.255 0.011 6 1 . . . . . 167 S H . 12009 1 706 . 1 1 172 172 SER CA C 13 58.664 0.1 1 1 . . . . . 167 S CA . 12009 1 707 . 1 1 172 172 SER CB C 13 65.725 0.1 1 1 . . . . . 167 S CB . 12009 1 708 . 1 1 172 172 SER N N 15 122.718 0.066 6 1 . . . . . 167 S N . 12009 1 709 . 1 1 173 173 TYR H H 1 9.387 0.001 2 1 . . . . . 168 Y H . 12009 1 710 . 1 1 173 173 TYR CA C 13 56.923 0.1 1 1 . . . . . 168 Y CA . 12009 1 711 . 1 1 173 173 TYR CB C 13 41.572 0.129 2 1 . . . . . 168 Y CB . 12009 1 712 . 1 1 173 173 TYR N N 15 121.686 0.041 2 1 . . . . . 168 Y N . 12009 1 713 . 1 1 174 174 VAL H H 1 8.706 0.01 2 1 . . . . . 169 V H . 12009 1 714 . 1 1 174 174 VAL N N 15 117.110 0.004 2 1 . . . . . 169 V N . 12009 1 715 . 1 1 175 175 PRO C C 13 176.750 0.1 1 1 . . . . . 170 P C . 12009 1 716 . 1 1 175 175 PRO CA C 13 60.307 0.057 3 1 . . . . . 170 P CA . 12009 1 717 . 1 1 175 175 PRO CB C 13 31.346 0.019 2 1 . . . . . 170 P CB . 12009 1 718 . 1 1 176 176 VAL H H 1 9.385 0.006 10 1 . . . . . 171 V H . 12009 1 719 . 1 1 176 176 VAL C C 13 176.361 0.1 1 1 . . . . . 171 V C . 12009 1 720 . 1 1 176 176 VAL CA C 13 62.187 0.074 4 1 . . . . . 171 V CA . 12009 1 721 . 1 1 176 176 VAL CB C 13 34.971 0.015 2 1 . . . . . 171 V CB . 12009 1 722 . 1 1 176 176 VAL N N 15 123.390 0.026 10 1 . . . . . 171 V N . 12009 1 723 . 1 1 177 177 ASN H H 1 9.501 0.009 9 1 . . . . . 172 N H . 12009 1 724 . 1 1 177 177 ASN CA C 13 53.929 0.052 4 1 . . . . . 172 N CA . 12009 1 725 . 1 1 177 177 ASN CB C 13 37.674 0.130 3 1 . . . . . 172 N CB . 12009 1 726 . 1 1 177 177 ASN N N 15 127.842 0.072 9 1 . . . . . 172 N N . 12009 1 727 . 1 1 178 178 GLY H H 1 8.944 0.004 8 1 . . . . . 173 G H . 12009 1 728 . 1 1 178 178 GLY C C 13 174.310 0.1 1 1 . . . . . 173 G C . 12009 1 729 . 1 1 178 178 GLY CA C 13 46.399 0.040 4 1 . . . . . 173 G CA . 12009 1 730 . 1 1 178 178 GLY N N 15 103.730 0.031 8 1 . . . . . 173 G N . 12009 1 731 . 1 1 179 179 ARG H H 1 7.617 0.005 8 1 . . . . . 174 R H . 12009 1 732 . 1 1 179 179 ARG C C 13 172.414 0.1 1 1 . . . . . 174 R C . 12009 1 733 . 1 1 179 179 ARG CA C 13 53.841 0.066 4 1 . . . . . 174 R CA . 12009 1 734 . 1 1 179 179 ARG CB C 13 32.648 0.060 2 1 . . . . . 174 R CB . 12009 1 735 . 1 1 179 179 ARG N N 15 119.008 0.039 8 1 . . . . . 174 R N . 12009 1 736 . 1 1 180 180 LEU H H 1 8.329 0.009 9 1 . . . . . 175 L H . 12009 1 737 . 1 1 180 180 LEU C C 13 176.715 0.1 1 1 . . . . . 175 L C . 12009 1 738 . 1 1 180 180 LEU CA C 13 53.437 0.033 5 1 . . . . . 175 L CA . 12009 1 739 . 1 1 180 180 LEU CB C 13 40.640 0.139 2 1 . . . . . 175 L CB . 12009 1 740 . 1 1 180 180 LEU N N 15 123.494 0.017 9 1 . . . . . 175 L N . 12009 1 741 . 1 1 181 181 TYR H H 1 7.475 0.005 9 1 . . . . . 176 Y H . 12009 1 742 . 1 1 181 181 TYR C C 13 174.620 0.1 1 1 . . . . . 176 Y C . 12009 1 743 . 1 1 181 181 TYR CA C 13 58.806 0.051 6 1 . . . . . 176 Y CA . 12009 1 744 . 1 1 181 181 TYR CB C 13 39.355 0.099 2 1 . . . . . 176 Y CB . 12009 1 745 . 1 1 181 181 TYR N N 15 121.595 0.140 9 1 . . . . . 176 Y N . 12009 1 746 . 1 1 182 182 GLU H H 1 8.555 0.012 12 1 . . . . . 177 E H . 12009 1 747 . 1 1 182 182 GLU C C 13 176.775 0.1 1 1 . . . . . 177 E C . 12009 1 748 . 1 1 182 182 GLU CA C 13 57.727 0.024 4 1 . . . . . 177 E CA . 12009 1 749 . 1 1 182 182 GLU CB C 13 30.116 0.099 3 1 . . . . . 177 E CB . 12009 1 750 . 1 1 182 182 GLU N N 15 122.314 0.053 12 1 . . . . . 177 E N . 12009 1 751 . 1 1 183 183 LEU H H 1 8.204 0.010 8 1 . . . . . 178 L H . 12009 1 752 . 1 1 183 183 LEU C C 13 176.155 0.1 1 1 . . . . . 178 L C . 12009 1 753 . 1 1 183 183 LEU CA C 13 59.052 0.1 2 1 . . . . . 178 L CA . 12009 1 754 . 1 1 183 183 LEU N N 15 121.022 0.145 8 1 . . . . . 178 L N . 12009 1 755 . 1 1 184 184 ASP H H 1 8.093 0.002 6 1 . . . . . 179 D H . 12009 1 756 . 1 1 184 184 ASP C C 13 177.772 0.1 1 1 . . . . . 179 D C . 12009 1 757 . 1 1 184 184 ASP CA C 13 55.338 0.1 1 1 . . . . . 179 D CA . 12009 1 758 . 1 1 184 184 ASP N N 15 114.306 0.032 6 1 . . . . . 179 D N . 12009 1 759 . 1 1 185 185 GLY H H 1 8.285 0.01 1 1 . . . . . 180 G H . 12009 1 760 . 1 1 185 185 GLY C C 13 173.737 0.1 1 1 . . . . . 180 G C . 12009 1 761 . 1 1 185 185 GLY CA C 13 45.713 0.040 2 1 . . . . . 180 G CA . 12009 1 762 . 1 1 185 185 GLY N N 15 109.317 0.05 1 1 . . . . . 180 G N . 12009 1 763 . 1 1 186 186 LEU H H 1 8.071 0.011 5 1 . . . . . 181 L H . 12009 1 764 . 1 1 186 186 LEU C C 13 176.168 0.1 1 1 . . . . . 181 L C . 12009 1 765 . 1 1 186 186 LEU CA C 13 54.433 0.1 1 1 . . . . . 181 L CA . 12009 1 766 . 1 1 186 186 LEU CB C 13 30.231 0.1 0 1 . . . . . 181 L CB . 12009 1 767 . 1 1 186 186 LEU N N 15 121.364 0.043 5 1 . . . . . 181 L N . 12009 1 768 . 1 1 187 187 ARG H H 1 9.778 0.012 5 1 . . . . . 182 R H . 12009 1 769 . 1 1 187 187 ARG CA C 13 53.398 0.064 3 1 . . . . . 182 R CA . 12009 1 770 . 1 1 187 187 ARG CB C 13 29.267 0.1 1 1 . . . . . 182 R CB . 12009 1 771 . 1 1 187 187 ARG N N 15 130.173 0.046 5 1 . . . . . 182 R N . 12009 1 772 . 1 1 188 188 GLU H H 1 8.242 0.048 7 1 . . . . . 183 E H . 12009 1 773 . 1 1 188 188 GLU CA C 13 57.147 0.050 3 1 . . . . . 183 E CA . 12009 1 774 . 1 1 188 188 GLU CB C 13 29.325 0.1 1 1 . . . . . 183 E CB . 12009 1 775 . 1 1 188 188 GLU N N 15 118.866 0.999 7 1 . . . . . 183 E N . 12009 1 776 . 1 1 189 189 GLY H H 1 7.037 0.002 5 1 . . . . . 184 G H . 12009 1 777 . 1 1 189 189 GLY CA C 13 44.344 0.1 1 1 . . . . . 184 G CA . 12009 1 778 . 1 1 189 189 GLY N N 15 103.738 0.039 5 1 . . . . . 184 G N . 12009 1 779 . 1 1 193 193 LEU C C 13 177.363 0.1 1 1 . . . . . 188 L C . 12009 1 780 . 1 1 193 193 LEU CA C 13 53.988 0.069 4 1 . . . . . 188 L CA . 12009 1 781 . 1 1 193 193 LEU CB C 13 41.758 0.092 2 1 . . . . . 188 L CB . 12009 1 782 . 1 1 194 194 GLY H H 1 8.589 0.004 11 1 . . . . . 189 G H . 12009 1 783 . 1 1 194 194 GLY C C 13 172.210 0.1 1 1 . . . . . 189 G C . 12009 1 784 . 1 1 194 194 GLY CA C 13 43.763 0.017 4 1 . . . . . 189 G CA . 12009 1 785 . 1 1 194 194 GLY N N 15 109.483 0.042 11 1 . . . . . 189 G N . 12009 1 786 . 1 1 195 195 ALA H H 1 8.051 0.011 8 1 . . . . . 190 A H . 12009 1 787 . 1 1 195 195 ALA C C 13 177.514 0.1 1 1 . . . . . 190 A C . 12009 1 788 . 1 1 195 195 ALA CA C 13 52.139 0.051 4 1 . . . . . 190 A CA . 12009 1 789 . 1 1 195 195 ALA CB C 13 19.676 0.080 3 1 . . . . . 190 A CB . 12009 1 790 . 1 1 195 195 ALA N N 15 118.990 0.032 8 1 . . . . . 190 A N . 12009 1 791 . 1 1 196 196 CYS H H 1 8.334 0.004 10 1 . . . . . 191 C H . 12009 1 792 . 1 1 196 196 CYS C C 13 171.580 0.1 1 1 . . . . . 191 C C . 12009 1 793 . 1 1 196 196 CYS CA C 13 55.648 0.082 4 1 . . . . . 191 C CA . 12009 1 794 . 1 1 196 196 CYS CB C 13 30.914 0.253 3 1 . . . . . 191 C CB . 12009 1 795 . 1 1 196 196 CYS N N 15 114.356 0.028 10 1 . . . . . 191 C N . 12009 1 796 . 1 1 197 197 ASN H H 1 8.740 0.004 9 1 . . . . . 192 N H . 12009 1 797 . 1 1 197 197 ASN C C 13 178.368 0.1 1 1 . . . . . 192 N C . 12009 1 798 . 1 1 197 197 ASN CA C 13 55.398 3.237 2 1 . . . . . 192 N CA . 12009 1 799 . 1 1 197 197 ASN CB C 13 41.015 0.1 1 1 . . . . . 192 N CB . 12009 1 800 . 1 1 197 197 ASN N N 15 119.503 0.052 9 1 . . . . . 192 N N . 12009 1 801 . 1 1 198 198 GLN H H 1 8.202 0.011 6 1 . . . . . 193 Q H . 12009 1 802 . 1 1 198 198 GLN C C 13 178.654 0.1 1 1 . . . . . 193 Q C . 12009 1 803 . 1 1 198 198 GLN CA C 13 58.172 0.082 5 1 . . . . . 193 Q CA . 12009 1 804 . 1 1 198 198 GLN N N 15 119.858 0.045 6 1 . . . . . 193 Q N . 12009 1 805 . 1 1 199 199 ASP H H 1 8.562 0.016 9 1 . . . . . 194 D H . 12009 1 806 . 1 1 199 199 ASP C C 13 175.946 0.1 1 1 . . . . . 194 D C . 12009 1 807 . 1 1 199 199 ASP CA C 13 56.939 0.1 1 1 . . . . . 194 D CA . 12009 1 808 . 1 1 199 199 ASP CB C 13 39.851 0.1 1 1 . . . . . 194 D CB . 12009 1 809 . 1 1 199 199 ASP N N 15 113.847 0.063 9 1 . . . . . 194 D N . 12009 1 810 . 1 1 200 200 ASP H H 1 7.171 0.002 2 1 . . . . . 195 D H . 12009 1 811 . 1 1 200 200 ASP C C 13 176.306 0.1 1 1 . . . . . 195 D C . 12009 1 812 . 1 1 200 200 ASP CA C 13 53.492 0.107 3 1 . . . . . 195 D CA . 12009 1 813 . 1 1 200 200 ASP CB C 13 41.694 0.018 2 1 . . . . . 195 D CB . 12009 1 814 . 1 1 200 200 ASP N N 15 114.164 0.032 2 1 . . . . . 195 D N . 12009 1 815 . 1 1 201 201 TRP H H 1 9.092 0.005 9 1 . . . . . 196 W H . 12009 1 816 . 1 1 201 201 TRP C C 13 177.475 0.1 1 1 . . . . . 196 W C . 12009 1 817 . 1 1 201 201 TRP CA C 13 58.636 0.073 4 1 . . . . . 196 W CA . 12009 1 818 . 1 1 201 201 TRP CB C 13 28.800 0.1 1 1 . . . . . 196 W CB . 12009 1 819 . 1 1 201 201 TRP N N 15 127.466 0.027 9 1 . . . . . 196 W N . 12009 1 820 . 1 1 202 202 ILE H H 1 7.035 0.010 9 1 . . . . . 197 I H . 12009 1 821 . 1 1 202 202 ILE C C 13 177.706 0.1 1 1 . . . . . 197 I C . 12009 1 822 . 1 1 202 202 ILE CA C 13 61.109 0.068 5 1 . . . . . 197 I CA . 12009 1 823 . 1 1 202 202 ILE CB C 13 34.587 0.084 3 1 . . . . . 197 I CB . 12009 1 824 . 1 1 202 202 ILE N N 15 122.765 0.054 9 1 . . . . . 197 I N . 12009 1 825 . 1 1 203 203 SER H H 1 7.756 0.004 12 1 . . . . . 198 S H . 12009 1 826 . 1 1 203 203 SER C C 13 175.760 0.1 1 1 . . . . . 198 S C . 12009 1 827 . 1 1 203 203 SER CA C 13 61.227 0.013 4 1 . . . . . 198 S CA . 12009 1 828 . 1 1 203 203 SER CB C 13 62.312 0.028 2 1 . . . . . 198 S CB . 12009 1 829 . 1 1 203 203 SER N N 15 114.373 0.033 12 1 . . . . . 198 S N . 12009 1 830 . 1 1 204 204 ALA H H 1 7.218 0.004 9 1 . . . . . 199 A H . 12009 1 831 . 1 1 204 204 ALA C C 13 178.247 0.1 1 1 . . . . . 199 A C . 12009 1 832 . 1 1 204 204 ALA CA C 13 53.645 0.016 4 1 . . . . . 199 A CA . 12009 1 833 . 1 1 204 204 ALA CB C 13 19.092 0.091 3 1 . . . . . 199 A CB . 12009 1 834 . 1 1 204 204 ALA N N 15 121.975 0.023 9 1 . . . . . 199 A N . 12009 1 835 . 1 1 205 205 VAL H H 1 7.380 0.005 10 1 . . . . . 200 V H . 12009 1 836 . 1 1 205 205 VAL C C 13 176.109 0.1 1 1 . . . . . 200 V C . 12009 1 837 . 1 1 205 205 VAL CA C 13 61.856 0.041 4 1 . . . . . 200 V CA . 12009 1 838 . 1 1 205 205 VAL CB C 13 32.722 0.020 2 1 . . . . . 200 V CB . 12009 1 839 . 1 1 205 205 VAL N N 15 116.150 0.071 10 1 . . . . . 200 V N . 12009 1 840 . 1 1 206 206 ARG H H 1 7.749 0.012 7 1 . . . . . 201 R H . 12009 1 841 . 1 1 206 206 ARG N N 15 122.842 0.029 7 1 . . . . . 201 R N . 12009 1 842 . 1 1 207 207 PRO C C 13 179.077 0.1 1 1 . . . . . 202 P C . 12009 1 843 . 1 1 207 207 PRO CA C 13 65.615 0.073 3 1 . . . . . 202 P CA . 12009 1 844 . 1 1 207 207 PRO CB C 13 30.757 0.1 1 1 . . . . . 202 P CB . 12009 1 845 . 1 1 208 208 VAL H H 1 6.692 0.004 9 1 . . . . . 203 V H . 12009 1 846 . 1 1 208 208 VAL C C 13 178.729 0.1 1 1 . . . . . 203 V C . 12009 1 847 . 1 1 208 208 VAL CA C 13 65.329 0.083 4 1 . . . . . 203 V CA . 12009 1 848 . 1 1 208 208 VAL CB C 13 31.848 0.014 2 1 . . . . . 203 V CB . 12009 1 849 . 1 1 208 208 VAL N N 15 116.861 0.033 9 1 . . . . . 203 V N . 12009 1 850 . 1 1 209 209 ILE H H 1 7.536 0.004 11 1 . . . . . 204 I H . 12009 1 851 . 1 1 209 209 ILE C C 13 177.529 0.1 1 1 . . . . . 204 I C . 12009 1 852 . 1 1 209 209 ILE CA C 13 63.607 0.070 6 1 . . . . . 204 I CA . 12009 1 853 . 1 1 209 209 ILE CB C 13 37.160 0.067 4 1 . . . . . 204 I CB . 12009 1 854 . 1 1 209 209 ILE N N 15 119.341 0.038 11 1 . . . . . 204 I N . 12009 1 855 . 1 1 210 210 GLU H H 1 8.604 0.018 11 1 . . . . . 205 E H . 12009 1 856 . 1 1 210 210 GLU C C 13 178.103 0.1 1 1 . . . . . 205 E C . 12009 1 857 . 1 1 210 210 GLU CA C 13 61.900 0.015 3 1 . . . . . 205 E CA . 12009 1 858 . 1 1 210 210 GLU CB C 13 29.167 0.1 1 1 . . . . . 205 E CB . 12009 1 859 . 1 1 210 210 GLU N N 15 119.797 0.068 11 1 . . . . . 205 E N . 12009 1 860 . 1 1 211 211 LYS H H 1 8.452 0.018 7 1 . . . . . 206 K H . 12009 1 861 . 1 1 211 211 LYS C C 13 177.837 0.1 1 1 . . . . . 206 K C . 12009 1 862 . 1 1 211 211 LYS CA C 13 59.488 0.074 4 1 . . . . . 206 K CA . 12009 1 863 . 1 1 211 211 LYS CB C 13 32.417 0.046 2 1 . . . . . 206 K CB . 12009 1 864 . 1 1 211 211 LYS N N 15 122.708 0.070 7 1 . . . . . 206 K N . 12009 1 865 . 1 1 212 212 ARG H H 1 7.624 0.004 9 1 . . . . . 207 R H . 12009 1 866 . 1 1 212 212 ARG C C 13 177.352 0.1 1 1 . . . . . 207 R C . 12009 1 867 . 1 1 212 212 ARG CA C 13 59.177 0.030 3 1 . . . . . 207 R CA . 12009 1 868 . 1 1 212 212 ARG CB C 13 30.538 0.1 1 1 . . . . . 207 R CB . 12009 1 869 . 1 1 212 212 ARG N N 15 117.624 0.031 9 1 . . . . . 207 R N . 12009 1 870 . 1 1 213 213 ILE H H 1 8.110 0.006 8 1 . . . . . 208 I H . 12009 1 871 . 1 1 213 213 ILE C C 13 178.437 0.1 1 1 . . . . . 208 I C . 12009 1 872 . 1 1 213 213 ILE CA C 13 65.569 0.061 4 1 . . . . . 208 I CA . 12009 1 873 . 1 1 213 213 ILE CB C 13 37.557 0.1 1 1 . . . . . 208 I CB . 12009 1 874 . 1 1 213 213 ILE N N 15 116.564 0.045 8 1 . . . . . 208 I N . 12009 1 875 . 1 1 214 214 GLN H H 1 7.956 0.012 9 1 . . . . . 209 Q H . 12009 1 876 . 1 1 214 214 GLN C C 13 177.978 0.1 1 1 . . . . . 209 Q C . 12009 1 877 . 1 1 214 214 GLN CA C 13 59.162 0.048 4 1 . . . . . 209 Q CA . 12009 1 878 . 1 1 214 214 GLN CB C 13 27.755 0.143 3 1 . . . . . 209 Q CB . 12009 1 879 . 1 1 214 214 GLN N N 15 120.782 0.052 9 1 . . . . . 209 Q N . 12009 1 880 . 1 1 215 215 LYS H H 1 7.422 0.004 10 1 . . . . . 210 K H . 12009 1 881 . 1 1 215 215 LYS CA C 13 58.789 0.199 2 1 . . . . . 210 K CA . 12009 1 882 . 1 1 215 215 LYS CB C 13 31.732 0.1 1 1 . . . . . 210 K CB . 12009 1 883 . 1 1 215 215 LYS N N 15 118.716 0.078 10 1 . . . . . 210 K N . 12009 1 884 . 1 1 216 216 TYR H H 1 7.961 0.001 2 1 . . . . . 211 Y H . 12009 1 885 . 1 1 216 216 TYR CA C 13 61.259 0.1 1 1 . . . . . 211 Y CA . 12009 1 886 . 1 1 216 216 TYR CB C 13 38.498 0.091 3 1 . . . . . 211 Y CB . 12009 1 887 . 1 1 216 216 TYR N N 15 115.600 0.011 2 1 . . . . . 211 Y N . 12009 1 888 . 1 1 217 217 SER H H 1 8.082 0.001 3 1 . . . . . 212 S H . 12009 1 889 . 1 1 217 217 SER C C 13 176.458 0.1 1 1 . . . . . 212 S C . 12009 1 890 . 1 1 217 217 SER CA C 13 61.948 0.038 4 1 . . . . . 212 S CA . 12009 1 891 . 1 1 217 217 SER N N 15 123.322 0.020 3 1 . . . . . 212 S N . 12009 1 892 . 1 1 218 218 GLU H H 1 8.048 0.010 8 1 . . . . . 213 E H . 12009 1 893 . 1 1 218 218 GLU CA C 13 58.534 0.079 4 1 . . . . . 213 E CA . 12009 1 894 . 1 1 218 218 GLU CB C 13 29.676 0.1 1 1 . . . . . 213 E CB . 12009 1 895 . 1 1 218 218 GLU N N 15 122.741 0.082 8 1 . . . . . 213 E N . 12009 1 896 . 1 1 219 219 GLY H H 1 7.900 0.006 6 1 . . . . . 214 G H . 12009 1 897 . 1 1 219 219 GLY N N 15 106.614 0.035 6 1 . . . . . 214 G N . 12009 1 898 . 1 1 220 220 GLU H H 1 8.686 0.033 3 1 . . . . . 215 E H . 12009 1 899 . 1 1 220 220 GLU C C 13 175.316 0.1 1 1 . . . . . 215 E C . 12009 1 900 . 1 1 220 220 GLU CA C 13 57.099 0.068 4 1 . . . . . 215 E CA . 12009 1 901 . 1 1 220 220 GLU CB C 13 28.214 0.1 1 1 . . . . . 215 E CB . 12009 1 902 . 1 1 220 220 GLU N N 15 113.874 0.121 3 1 . . . . . 215 E N . 12009 1 903 . 1 1 221 221 ILE H H 1 8.426 0.013 9 1 . . . . . 216 I H . 12009 1 904 . 1 1 221 221 ILE C C 13 176.263 0.1 1 1 . . . . . 216 I C . 12009 1 905 . 1 1 221 221 ILE CA C 13 60.625 0.048 4 1 . . . . . 216 I CA . 12009 1 906 . 1 1 221 221 ILE CB C 13 38.382 0.030 2 1 . . . . . 216 I CB . 12009 1 907 . 1 1 221 221 ILE N N 15 121.827 0.032 9 1 . . . . . 216 I N . 12009 1 908 . 1 1 222 222 ARG H H 1 8.259 0.011 10 1 . . . . . 217 R H . 12009 1 909 . 1 1 222 222 ARG C C 13 174.533 0.1 1 1 . . . . . 217 R C . 12009 1 910 . 1 1 222 222 ARG CA C 13 56.467 0.081 3 1 . . . . . 217 R CA . 12009 1 911 . 1 1 222 222 ARG CB C 13 31.107 0.068 2 1 . . . . . 217 R CB . 12009 1 912 . 1 1 222 222 ARG N N 15 127.555 0.074 10 1 . . . . . 217 R N . 12009 1 913 . 1 1 223 223 PHE H H 1 7.439 0.003 7 1 . . . . . 218 F H . 12009 1 914 . 1 1 223 223 PHE C C 13 176.189 0.1 1 1 . . . . . 218 F C . 12009 1 915 . 1 1 223 223 PHE CA C 13 56.287 0.088 3 1 . . . . . 218 F CA . 12009 1 916 . 1 1 223 223 PHE N N 15 115.827 0.030 7 1 . . . . . 218 F N . 12009 1 917 . 1 1 224 224 ASN H H 1 8.177 0.009 5 1 . . . . . 219 N H . 12009 1 918 . 1 1 224 224 ASN N N 15 120.390 0.029 5 1 . . . . . 219 N N . 12009 1 919 . 1 1 225 225 LEU C C 13 174.344 0.1 1 1 . . . . . 220 L C . 12009 1 920 . 1 1 225 225 LEU CA C 13 54.083 0.070 5 1 . . . . . 220 L CA . 12009 1 921 . 1 1 225 225 LEU CB C 13 45.583 0.1 1 1 . . . . . 220 L CB . 12009 1 922 . 1 1 226 226 MET H H 1 9.411 0.011 12 1 . . . . . 221 M H . 12009 1 923 . 1 1 226 226 MET C C 13 173.530 0.1 1 1 . . . . . 221 M C . 12009 1 924 . 1 1 226 226 MET CA C 13 53.645 0.027 4 1 . . . . . 221 M CA . 12009 1 925 . 1 1 226 226 MET CB C 13 36.299 0.064 3 1 . . . . . 221 M CB . 12009 1 926 . 1 1 226 226 MET N N 15 121.073 0.031 12 1 . . . . . 221 M N . 12009 1 927 . 1 1 227 227 ALA H H 1 9.574 0.005 10 1 . . . . . 222 A H . 12009 1 928 . 1 1 227 227 ALA C C 13 175.521 0.1 1 1 . . . . . 222 A C . 12009 1 929 . 1 1 227 227 ALA CA C 13 50.226 0.062 4 1 . . . . . 222 A CA . 12009 1 930 . 1 1 227 227 ALA CB C 13 22.588 0.044 3 1 . . . . . 222 A CB . 12009 1 931 . 1 1 227 227 ALA N N 15 122.975 0.028 10 1 . . . . . 222 A N . 12009 1 932 . 1 1 228 228 ILE H H 1 8.654 0.010 11 1 . . . . . 223 I H . 12009 1 933 . 1 1 228 228 ILE C C 13 175.004 0.1 1 1 . . . . . 223 I C . 12009 1 934 . 1 1 228 228 ILE CA C 13 60.914 0.072 7 1 . . . . . 223 I CA . 12009 1 935 . 1 1 228 228 ILE CB C 13 37.071 0.109 4 1 . . . . . 223 I CB . 12009 1 936 . 1 1 228 228 ILE N N 15 121.848 0.044 11 1 . . . . . 223 I N . 12009 1 937 . 1 1 229 229 VAL H H 1 9.263 0.009 12 1 . . . . . 224 V H . 12009 1 938 . 1 1 229 229 VAL C C 13 175.931 0.1 1 1 . . . . . 224 V C . 12009 1 939 . 1 1 229 229 VAL CA C 13 60.319 0.1 1 1 . . . . . 224 V CA . 12009 1 940 . 1 1 229 229 VAL CB C 13 32.200 0.1 1 1 . . . . . 224 V CB . 12009 1 941 . 1 1 229 229 VAL N N 15 121.302 0.030 12 1 . . . . . 224 V N . 12009 1 942 . 1 1 230 230 SER H H 1 8.103 0.004 7 1 . . . . . 225 S H . 12009 1 943 . 1 1 230 230 SER C C 13 174.172 0.1 1 1 . . . . . 225 S C . 12009 1 944 . 1 1 230 230 SER CA C 13 59.898 0.135 4 1 . . . . . 225 S CA . 12009 1 945 . 1 1 230 230 SER CB C 13 63.665 0.043 3 1 . . . . . 225 S CB . 12009 1 946 . 1 1 230 230 SER N N 15 116.220 0.035 7 1 . . . . . 225 S N . 12009 1 947 . 1 1 231 231 ASP H H 1 7.915 0.007 10 1 . . . . . 226 D H . 12009 1 948 . 1 1 231 231 ASP C C 13 176.563 0.1 1 1 . . . . . 226 D C . 12009 1 949 . 1 1 231 231 ASP CA C 13 53.376 0.045 4 1 . . . . . 226 D CA . 12009 1 950 . 1 1 231 231 ASP CB C 13 40.916 0.021 3 1 . . . . . 226 D CB . 12009 1 951 . 1 1 231 231 ASP N N 15 122.223 0.040 10 1 . . . . . 226 D N . 12009 1 952 . 1 1 232 232 ARG H H 1 8.248 0.007 10 1 . . . . . 227 R H . 12009 1 953 . 1 1 232 232 ARG C C 13 174.576 0.1 1 1 . . . . . 227 R C . 12009 1 954 . 1 1 232 232 ARG CA C 13 56.990 0.058 5 1 . . . . . 227 R CA . 12009 1 955 . 1 1 232 232 ARG CB C 13 33.094 5.059 4 1 . . . . . 227 R CB . 12009 1 956 . 1 1 232 232 ARG N N 15 123.907 0.040 10 1 . . . . . 227 R N . 12009 1 957 . 1 1 233 233 LYS H H 1 8.768 0.273 11 1 . . . . . 228 K H . 12009 1 958 . 1 1 233 233 LYS C C 13 175.755 0.1 1 1 . . . . . 228 K C . 12009 1 959 . 1 1 233 233 LYS CA C 13 54.477 0.042 5 1 . . . . . 228 K CA . 12009 1 960 . 1 1 233 233 LYS CB C 13 43.972 0.039 3 1 . . . . . 228 K CB . 12009 1 961 . 1 1 233 233 LYS N N 15 121.226 0.293 11 1 . . . . . 228 K N . 12009 1 962 . 1 1 234 234 MET H H 1 6.920 0.011 13 1 . . . . . 229 M H . 12009 1 963 . 1 1 234 234 MET C C 13 174.833 0.1 1 1 . . . . . 229 M C . 12009 1 964 . 1 1 234 234 MET CA C 13 55.867 0.041 3 1 . . . . . 229 M CA . 12009 1 965 . 1 1 234 234 MET CB C 13 31.973 0.1 1 1 . . . . . 229 M CB . 12009 1 966 . 1 1 234 234 MET N N 15 116.522 0.047 13 1 . . . . . 229 M N . 12009 1 967 . 1 1 235 235 ILE H H 1 7.840 0.009 6 1 . . . . . 230 I H . 12009 1 968 . 1 1 235 235 ILE C C 13 177.295 0.1 1 1 . . . . . 230 I C . 12009 1 969 . 1 1 235 235 ILE CA C 13 57.573 0.145 5 1 . . . . . 230 I CA . 12009 1 970 . 1 1 235 235 ILE CB C 13 30.181 0.050 2 1 . . . . . 230 I CB . 12009 1 971 . 1 1 235 235 ILE N N 15 127.906 0.047 6 1 . . . . . 230 I N . 12009 1 972 . 1 1 236 236 TYR H H 1 7.957 0.012 10 1 . . . . . 231 Y H . 12009 1 973 . 1 1 236 236 TYR C C 13 172.302 0.1 1 1 . . . . . 231 Y C . 12009 1 974 . 1 1 236 236 TYR CA C 13 56.437 0.061 3 1 . . . . . 231 Y CA . 12009 1 975 . 1 1 236 236 TYR CB C 13 39.436 0.1 1 1 . . . . . 231 Y CB . 12009 1 976 . 1 1 236 236 TYR N N 15 119.625 0.029 10 1 . . . . . 231 Y N . 12009 1 977 . 1 1 237 237 GLU H H 1 9.395 0.002 6 1 . . . . . 232 E H . 12009 1 978 . 1 1 237 237 GLU C C 13 176.884 0.1 1 1 . . . . . 232 E C . 12009 1 979 . 1 1 237 237 GLU CA C 13 56.981 0.100 4 1 . . . . . 232 E CA . 12009 1 980 . 1 1 237 237 GLU CB C 13 30.418 0.113 2 1 . . . . . 232 E CB . 12009 1 981 . 1 1 237 237 GLU N N 15 121.609 0.010 6 1 . . . . . 232 E N . 12009 1 982 . 1 1 238 238 GLN H H 1 8.097 0.005 9 1 . . . . . 233 Q H . 12009 1 983 . 1 1 238 238 GLN C C 13 176.238 0.1 1 1 . . . . . 233 Q C . 12009 1 984 . 1 1 238 238 GLN CA C 13 56.466 0.083 4 1 . . . . . 233 Q CA . 12009 1 985 . 1 1 238 238 GLN CB C 13 29.142 0.062 2 1 . . . . . 233 Q CB . 12009 1 986 . 1 1 238 238 GLN N N 15 120.778 0.034 9 1 . . . . . 233 Q N . 12009 1 987 . 1 1 239 239 LYS H H 1 8.175 0.005 10 1 . . . . . 234 K H . 12009 1 988 . 1 1 239 239 LYS C C 13 176.979 0.1 1 1 . . . . . 234 K C . 12009 1 989 . 1 1 239 239 LYS CA C 13 56.694 0.031 4 1 . . . . . 234 K CA . 12009 1 990 . 1 1 239 239 LYS CB C 13 32.540 0.073 3 1 . . . . . 234 K CB . 12009 1 991 . 1 1 239 239 LYS N N 15 122.100 0.034 10 1 . . . . . 234 K N . 12009 1 992 . 1 1 240 240 ILE H H 1 7.961 0.007 10 1 . . . . . 235 I H . 12009 1 993 . 1 1 240 240 ILE C C 13 176.430 0.1 1 1 . . . . . 235 I C . 12009 1 994 . 1 1 240 240 ILE CA C 13 61.569 0.062 6 1 . . . . . 235 I CA . 12009 1 995 . 1 1 240 240 ILE CB C 13 38.249 0.035 5 1 . . . . . 235 I CB . 12009 1 996 . 1 1 240 240 ILE N N 15 121.165 0.029 10 1 . . . . . 235 I N . 12009 1 997 . 1 1 241 241 ALA H H 1 8.129 0.010 15 1 . . . . . 236 A H . 12009 1 998 . 1 1 241 241 ALA C C 13 178.012 0.1 1 1 . . . . . 236 A C . 12009 1 999 . 1 1 241 241 ALA CA C 13 53.070 0.013 4 1 . . . . . 236 A CA . 12009 1 1000 . 1 1 241 241 ALA CB C 13 19.014 0.083 3 1 . . . . . 236 A CB . 12009 1 1001 . 1 1 241 241 ALA N N 15 126.781 0.066 15 1 . . . . . 236 A N . 12009 1 1002 . 1 1 242 242 GLU H H 1 8.119 0.007 10 1 . . . . . 237 E H . 12009 1 1003 . 1 1 242 242 GLU C C 13 176.518 0.1 1 1 . . . . . 237 E C . 12009 1 1004 . 1 1 242 242 GLU CA C 13 56.858 0.031 4 1 . . . . . 237 E CA . 12009 1 1005 . 1 1 242 242 GLU CB C 13 30.126 0.066 3 1 . . . . . 237 E CB . 12009 1 1006 . 1 1 242 242 GLU N N 15 119.146 0.046 10 1 . . . . . 237 E N . 12009 1 1007 . 1 1 243 243 LEU H H 1 7.957 0.015 11 1 . . . . . 238 L H . 12009 1 1008 . 1 1 243 243 LEU CA C 13 57.776 0.043 3 1 . . . . . 238 L CA . 12009 1 1009 . 1 1 243 243 LEU CB C 13 42.332 0.1 1 1 . . . . . 238 L CB . 12009 1 1010 . 1 1 243 243 LEU N N 15 121.934 0.055 11 1 . . . . . 238 L N . 12009 1 1011 . 1 1 244 244 GLN H H 1 8.528 0.009 3 1 . . . . . 239 Q H . 12009 1 1012 . 1 1 244 244 GLN CA C 13 55.687 0.1 1 1 . . . . . 239 Q CA . 12009 1 1013 . 1 1 244 244 GLN CB C 13 29.160 0.068 2 1 . . . . . 239 Q CB . 12009 1 1014 . 1 1 244 244 GLN N N 15 131.324 0.071 3 1 . . . . . 239 Q N . 12009 1 1015 . 1 1 245 245 ARG H H 1 7.831 0.001 3 1 . . . . . 240 R H . 12009 1 1016 . 1 1 245 245 ARG N N 15 127.897 0.029 3 1 . . . . . 240 R N . 12009 1 stop_ save_