data_12040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12040 _Entry.Title ; 1H, 13C and 15N resonance assignments of the proteasome lid subunit Rpn12 from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-24 _Entry.Accession_date 2019-12-27 _Entry.Last_release_date 2019-12-26 _Entry.Original_release_date 2019-12-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Xiaogang Niu . . . . 12040 2 Shuaipeng Ma . . . . 12040 3 Yunfei Hu . . . . 12040 4 Changwen Jin . . . . 12040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 693 12040 '15N chemical shifts' 227 12040 '1H chemical shifts' 227 12040 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 . . 2020-02-28 . original BMRB . 12040 stop_ save_ ############### # Citations # ############### save_citaion_1 _Citation.Sf_category citations _Citation.Sf_framecode citaion_1 _Citation.Entry_ID 12040 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32072453 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C and 15N resonance assignments of the proteasome lid subunit Rpn12 from Saccharomyces cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year 2020 _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 Xiaogang Niu . . . . 12040 1 2 Shuaipeng Ma . . . . 12040 1 3 Yunfei Hu . . . . 12040 1 4 Changwen Jin . . . . 12040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12040 _Assembly.ID 1 _Assembly.Name Rpn12_246 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rpn12_246 1 $Rpn12_246 A . yes native no no . . . 12040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpn12_246 _Entity.Sf_category entity _Entity.Sf_framecode Rpn12_246 _Entity.Entry_ID 12040 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpn12_246 _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 ; MPSLAELTKSLSIAFENGDY AACEKLLPPIKIELIKNNLL IPDLSIQNDIYLNDLMITKR ILEVGALASIQTFNFDSFEN YFNQLKPYYFSNNHKLSESD KKSKLISLYLLNLLSQNNTT KFHSELQYLDKHIKNLEDDS LLSYPIKLDRWLMEGSYQKA WDLLQSGSQNISEFDSFTDI LKSAIRDEIAKNTELSYDFL PLSNIKALLFFNNEKETEKF ALERNWPIVNSKVYFNNQSK EKADYE ; _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 246 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 12040 1 2 2 PRO . 12040 1 3 3 SER . 12040 1 4 4 LEU . 12040 1 5 5 ALA . 12040 1 6 6 GLU . 12040 1 7 7 LEU . 12040 1 8 8 THR . 12040 1 9 9 LYS . 12040 1 10 10 SER . 12040 1 11 11 LEU . 12040 1 12 12 SER . 12040 1 13 13 ILE . 12040 1 14 14 ALA . 12040 1 15 15 PHE . 12040 1 16 16 GLU . 12040 1 17 17 ASN . 12040 1 18 18 GLY . 12040 1 19 19 ASP . 12040 1 20 20 TYR . 12040 1 21 21 ALA . 12040 1 22 22 ALA . 12040 1 23 23 CYS . 12040 1 24 24 GLU . 12040 1 25 25 LYS . 12040 1 26 26 LEU . 12040 1 27 27 LEU . 12040 1 28 28 PRO . 12040 1 29 29 PRO . 12040 1 30 30 ILE . 12040 1 31 31 LYS . 12040 1 32 32 ILE . 12040 1 33 33 GLU . 12040 1 34 34 LEU . 12040 1 35 35 ILE . 12040 1 36 36 LYS . 12040 1 37 37 ASN . 12040 1 38 38 ASN . 12040 1 39 39 LEU . 12040 1 40 40 LEU . 12040 1 41 41 ILE . 12040 1 42 42 PRO . 12040 1 43 43 ASP . 12040 1 44 44 LEU . 12040 1 45 45 SER . 12040 1 46 46 ILE . 12040 1 47 47 GLN . 12040 1 48 48 ASN . 12040 1 49 49 ASP . 12040 1 50 50 ILE . 12040 1 51 51 TYR . 12040 1 52 52 LEU . 12040 1 53 53 ASN . 12040 1 54 54 ASP . 12040 1 55 55 LEU . 12040 1 56 56 MET . 12040 1 57 57 ILE . 12040 1 58 58 THR . 12040 1 59 59 LYS . 12040 1 60 60 ARG . 12040 1 61 61 ILE . 12040 1 62 62 LEU . 12040 1 63 63 GLU . 12040 1 64 64 VAL . 12040 1 65 65 GLY . 12040 1 66 66 ALA . 12040 1 67 67 LEU . 12040 1 68 68 ALA . 12040 1 69 69 SER . 12040 1 70 70 ILE . 12040 1 71 71 GLN . 12040 1 72 72 THR . 12040 1 73 73 PHE . 12040 1 74 74 ASN . 12040 1 75 75 PHE . 12040 1 76 76 ASP . 12040 1 77 77 SER . 12040 1 78 78 PHE . 12040 1 79 79 GLU . 12040 1 80 80 ASN . 12040 1 81 81 TYR . 12040 1 82 82 PHE . 12040 1 83 83 ASN . 12040 1 84 84 GLN . 12040 1 85 85 LEU . 12040 1 86 86 LYS . 12040 1 87 87 PRO . 12040 1 88 88 TYR . 12040 1 89 89 TYR . 12040 1 90 90 PHE . 12040 1 91 91 SER . 12040 1 92 92 ASN . 12040 1 93 93 ASN . 12040 1 94 94 HIS . 12040 1 95 95 LYS . 12040 1 96 96 LEU . 12040 1 97 97 SER . 12040 1 98 98 GLU . 12040 1 99 99 SER . 12040 1 100 100 ASP . 12040 1 101 101 LYS . 12040 1 102 102 LYS . 12040 1 103 103 SER . 12040 1 104 104 LYS . 12040 1 105 105 LEU . 12040 1 106 106 ILE . 12040 1 107 107 SER . 12040 1 108 108 LEU . 12040 1 109 109 TYR . 12040 1 110 110 LEU . 12040 1 111 111 LEU . 12040 1 112 112 ASN . 12040 1 113 113 LEU . 12040 1 114 114 LEU . 12040 1 115 115 SER . 12040 1 116 116 GLN . 12040 1 117 117 ASN . 12040 1 118 118 ASN . 12040 1 119 119 THR . 12040 1 120 120 THR . 12040 1 121 121 LYS . 12040 1 122 122 PHE . 12040 1 123 123 HIS . 12040 1 124 124 SER . 12040 1 125 125 GLU . 12040 1 126 126 LEU . 12040 1 127 127 GLN . 12040 1 128 128 TYR . 12040 1 129 129 LEU . 12040 1 130 130 ASP . 12040 1 131 131 LYS . 12040 1 132 132 HIS . 12040 1 133 133 ILE . 12040 1 134 134 LYS . 12040 1 135 135 ASN . 12040 1 136 136 LEU . 12040 1 137 137 GLU . 12040 1 138 138 ASP . 12040 1 139 139 ASP . 12040 1 140 140 SER . 12040 1 141 141 LEU . 12040 1 142 142 LEU . 12040 1 143 143 SER . 12040 1 144 144 TYR . 12040 1 145 145 PRO . 12040 1 146 146 ILE . 12040 1 147 147 LYS . 12040 1 148 148 LEU . 12040 1 149 149 ASP . 12040 1 150 150 ARG . 12040 1 151 151 TRP . 12040 1 152 152 LEU . 12040 1 153 153 MET . 12040 1 154 154 GLU . 12040 1 155 155 GLY . 12040 1 156 156 SER . 12040 1 157 157 TYR . 12040 1 158 158 GLN . 12040 1 159 159 LYS . 12040 1 160 160 ALA . 12040 1 161 161 TRP . 12040 1 162 162 ASP . 12040 1 163 163 LEU . 12040 1 164 164 LEU . 12040 1 165 165 GLN . 12040 1 166 166 SER . 12040 1 167 167 GLY . 12040 1 168 168 SER . 12040 1 169 169 GLN . 12040 1 170 170 ASN . 12040 1 171 171 ILE . 12040 1 172 172 SER . 12040 1 173 173 GLU . 12040 1 174 174 PHE . 12040 1 175 175 ASP . 12040 1 176 176 SER . 12040 1 177 177 PHE . 12040 1 178 178 THR . 12040 1 179 179 ASP . 12040 1 180 180 ILE . 12040 1 181 181 LEU . 12040 1 182 182 LYS . 12040 1 183 183 SER . 12040 1 184 184 ALA . 12040 1 185 185 ILE . 12040 1 186 186 ARG . 12040 1 187 187 ASP . 12040 1 188 188 GLU . 12040 1 189 189 ILE . 12040 1 190 190 ALA . 12040 1 191 191 LYS . 12040 1 192 192 ASN . 12040 1 193 193 THR . 12040 1 194 194 GLU . 12040 1 195 195 LEU . 12040 1 196 196 SER . 12040 1 197 197 TYR . 12040 1 198 198 ASP . 12040 1 199 199 PHE . 12040 1 200 200 LEU . 12040 1 201 201 PRO . 12040 1 202 202 LEU . 12040 1 203 203 SER . 12040 1 204 204 ASN . 12040 1 205 205 ILE . 12040 1 206 206 LYS . 12040 1 207 207 ALA . 12040 1 208 208 LEU . 12040 1 209 209 LEU . 12040 1 210 210 PHE . 12040 1 211 211 PHE . 12040 1 212 212 ASN . 12040 1 213 213 ASN . 12040 1 214 214 GLU . 12040 1 215 215 LYS . 12040 1 216 216 GLU . 12040 1 217 217 THR . 12040 1 218 218 GLU . 12040 1 219 219 LYS . 12040 1 220 220 PHE . 12040 1 221 221 ALA . 12040 1 222 222 LEU . 12040 1 223 223 GLU . 12040 1 224 224 ARG . 12040 1 225 225 ASN . 12040 1 226 226 TRP . 12040 1 227 227 PRO . 12040 1 228 228 ILE . 12040 1 229 229 VAL . 12040 1 230 230 ASN . 12040 1 231 231 SER . 12040 1 232 232 LYS . 12040 1 233 233 VAL . 12040 1 234 234 TYR . 12040 1 235 235 PHE . 12040 1 236 236 ASN . 12040 1 237 237 ASN . 12040 1 238 238 GLN . 12040 1 239 239 SER . 12040 1 240 240 LYS . 12040 1 241 241 GLU . 12040 1 242 242 LYS . 12040 1 243 243 ALA . 12040 1 244 244 ASP . 12040 1 245 245 TYR . 12040 1 246 246 GLU . 12040 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 12040 1 . PRO 2 2 12040 1 . SER 3 3 12040 1 . LEU 4 4 12040 1 . ALA 5 5 12040 1 . GLU 6 6 12040 1 . LEU 7 7 12040 1 . THR 8 8 12040 1 . LYS 9 9 12040 1 . SER 10 10 12040 1 . LEU 11 11 12040 1 . SER 12 12 12040 1 . ILE 13 13 12040 1 . ALA 14 14 12040 1 . PHE 15 15 12040 1 . GLU 16 16 12040 1 . ASN 17 17 12040 1 . GLY 18 18 12040 1 . ASP 19 19 12040 1 . TYR 20 20 12040 1 . ALA 21 21 12040 1 . ALA 22 22 12040 1 . CYS 23 23 12040 1 . GLU 24 24 12040 1 . LYS 25 25 12040 1 . LEU 26 26 12040 1 . LEU 27 27 12040 1 . PRO 28 28 12040 1 . PRO 29 29 12040 1 . ILE 30 30 12040 1 . LYS 31 31 12040 1 . ILE 32 32 12040 1 . GLU 33 33 12040 1 . LEU 34 34 12040 1 . ILE 35 35 12040 1 . LYS 36 36 12040 1 . ASN 37 37 12040 1 . ASN 38 38 12040 1 . LEU 39 39 12040 1 . LEU 40 40 12040 1 . ILE 41 41 12040 1 . PRO 42 42 12040 1 . ASP 43 43 12040 1 . LEU 44 44 12040 1 . SER 45 45 12040 1 . ILE 46 46 12040 1 . GLN 47 47 12040 1 . ASN 48 48 12040 1 . ASP 49 49 12040 1 . ILE 50 50 12040 1 . TYR 51 51 12040 1 . LEU 52 52 12040 1 . ASN 53 53 12040 1 . ASP 54 54 12040 1 . LEU 55 55 12040 1 . MET 56 56 12040 1 . ILE 57 57 12040 1 . THR 58 58 12040 1 . LYS 59 59 12040 1 . ARG 60 60 12040 1 . ILE 61 61 12040 1 . LEU 62 62 12040 1 . GLU 63 63 12040 1 . VAL 64 64 12040 1 . GLY 65 65 12040 1 . ALA 66 66 12040 1 . LEU 67 67 12040 1 . ALA 68 68 12040 1 . SER 69 69 12040 1 . ILE 70 70 12040 1 . GLN 71 71 12040 1 . THR 72 72 12040 1 . PHE 73 73 12040 1 . ASN 74 74 12040 1 . PHE 75 75 12040 1 . ASP 76 76 12040 1 . SER 77 77 12040 1 . PHE 78 78 12040 1 . GLU 79 79 12040 1 . ASN 80 80 12040 1 . TYR 81 81 12040 1 . PHE 82 82 12040 1 . ASN 83 83 12040 1 . GLN 84 84 12040 1 . LEU 85 85 12040 1 . LYS 86 86 12040 1 . PRO 87 87 12040 1 . TYR 88 88 12040 1 . TYR 89 89 12040 1 . PHE 90 90 12040 1 . SER 91 91 12040 1 . ASN 92 92 12040 1 . ASN 93 93 12040 1 . HIS 94 94 12040 1 . LYS 95 95 12040 1 . LEU 96 96 12040 1 . SER 97 97 12040 1 . GLU 98 98 12040 1 . SER 99 99 12040 1 . ASP 100 100 12040 1 . LYS 101 101 12040 1 . LYS 102 102 12040 1 . SER 103 103 12040 1 . LYS 104 104 12040 1 . LEU 105 105 12040 1 . ILE 106 106 12040 1 . SER 107 107 12040 1 . LEU 108 108 12040 1 . TYR 109 109 12040 1 . LEU 110 110 12040 1 . LEU 111 111 12040 1 . ASN 112 112 12040 1 . LEU 113 113 12040 1 . LEU 114 114 12040 1 . SER 115 115 12040 1 . GLN 116 116 12040 1 . ASN 117 117 12040 1 . ASN 118 118 12040 1 . THR 119 119 12040 1 . THR 120 120 12040 1 . LYS 121 121 12040 1 . PHE 122 122 12040 1 . HIS 123 123 12040 1 . SER 124 124 12040 1 . GLU 125 125 12040 1 . LEU 126 126 12040 1 . GLN 127 127 12040 1 . TYR 128 128 12040 1 . LEU 129 129 12040 1 . ASP 130 130 12040 1 . LYS 131 131 12040 1 . HIS 132 132 12040 1 . ILE 133 133 12040 1 . LYS 134 134 12040 1 . ASN 135 135 12040 1 . LEU 136 136 12040 1 . GLU 137 137 12040 1 . ASP 138 138 12040 1 . ASP 139 139 12040 1 . SER 140 140 12040 1 . LEU 141 141 12040 1 . LEU 142 142 12040 1 . SER 143 143 12040 1 . TYR 144 144 12040 1 . PRO 145 145 12040 1 . ILE 146 146 12040 1 . LYS 147 147 12040 1 . LEU 148 148 12040 1 . ASP 149 149 12040 1 . ARG 150 150 12040 1 . TRP 151 151 12040 1 . LEU 152 152 12040 1 . MET 153 153 12040 1 . GLU 154 154 12040 1 . GLY 155 155 12040 1 . SER 156 156 12040 1 . TYR 157 157 12040 1 . GLN 158 158 12040 1 . LYS 159 159 12040 1 . ALA 160 160 12040 1 . TRP 161 161 12040 1 . ASP 162 162 12040 1 . LEU 163 163 12040 1 . LEU 164 164 12040 1 . GLN 165 165 12040 1 . SER 166 166 12040 1 . GLY 167 167 12040 1 . SER 168 168 12040 1 . GLN 169 169 12040 1 . ASN 170 170 12040 1 . ILE 171 171 12040 1 . SER 172 172 12040 1 . GLU 173 173 12040 1 . PHE 174 174 12040 1 . ASP 175 175 12040 1 . SER 176 176 12040 1 . PHE 177 177 12040 1 . THR 178 178 12040 1 . ASP 179 179 12040 1 . ILE 180 180 12040 1 . LEU 181 181 12040 1 . LYS 182 182 12040 1 . SER 183 183 12040 1 . ALA 184 184 12040 1 . ILE 185 185 12040 1 . ARG 186 186 12040 1 . ASP 187 187 12040 1 . GLU 188 188 12040 1 . ILE 189 189 12040 1 . ALA 190 190 12040 1 . LYS 191 191 12040 1 . ASN 192 192 12040 1 . THR 193 193 12040 1 . GLU 194 194 12040 1 . LEU 195 195 12040 1 . SER 196 196 12040 1 . TYR 197 197 12040 1 . ASP 198 198 12040 1 . PHE 199 199 12040 1 . LEU 200 200 12040 1 . PRO 201 201 12040 1 . LEU 202 202 12040 1 . SER 203 203 12040 1 . ASN 204 204 12040 1 . ILE 205 205 12040 1 . LYS 206 206 12040 1 . ALA 207 207 12040 1 . LEU 208 208 12040 1 . LEU 209 209 12040 1 . PHE 210 210 12040 1 . PHE 211 211 12040 1 . ASN 212 212 12040 1 . ASN 213 213 12040 1 . GLU 214 214 12040 1 . LYS 215 215 12040 1 . GLU 216 216 12040 1 . THR 217 217 12040 1 . GLU 218 218 12040 1 . LYS 219 219 12040 1 . PHE 220 220 12040 1 . ALA 221 221 12040 1 . LEU 222 222 12040 1 . GLU 223 223 12040 1 . ARG 224 224 12040 1 . ASN 225 225 12040 1 . TRP 226 226 12040 1 . PRO 227 227 12040 1 . ILE 228 228 12040 1 . VAL 229 229 12040 1 . ASN 230 230 12040 1 . SER 231 231 12040 1 . LYS 232 232 12040 1 . VAL 233 233 12040 1 . TYR 234 234 12040 1 . PHE 235 235 12040 1 . ASN 236 236 12040 1 . ASN 237 237 12040 1 . GLN 238 238 12040 1 . SER 239 239 12040 1 . LYS 240 240 12040 1 . GLU 241 241 12040 1 . LYS 242 242 12040 1 . ALA 243 243 12040 1 . ASP 244 244 12040 1 . TYR 245 245 12040 1 . GLU 246 246 12040 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 12040 _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 $Rpn12_246 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 12040 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 12040 _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 $Rpn12_246 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET-24a(+) . . . 12040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12040 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rpn12_246 '[U-2H; U-13C; U-15N]' 1 $assembly 1 $Rpn12_246 . protein 0.5 . . mM . . . . 12040 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12040 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 12040 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 12040 1 5 NaCl 'natural abundance' . . . . . salt 50 . . mM . . . . 12040 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 12040 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 12040 1 pH 7.5 . pH 12040 1 pressure 1 . atm 12040 1 temperature 298 . K 12040 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 12040 _Software.ID 1 _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' . . 12040 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 12040 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 12040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 12040 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12040 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance III' . 600 . . . 12040 1 2 NMR_spectrometer_2 Bruker 'Avance III' . 800 . . . 12040 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 12040 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 12040 1 2 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12040 1 3 '3D HN(CO)CA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12040 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12040 1 5 '3D HN(COCA)CB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12040 1 6 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12040 1 7 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 12040 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 12040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 12040 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 12040 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 12040 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 12040 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12040 1 2 '3D HNCA' 1 $sample_1 isotropic 12040 1 3 '3D HN(CO)CA' 1 $sample_1 isotropic 12040 1 4 '3D HNCACB' 1 $sample_1 isotropic 12040 1 5 '3D HN(COCA)CB' 1 $sample_1 isotropic 12040 1 6 '3D HNCO' 1 $sample_1 isotropic 12040 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 SER C C 13 174.705 0.000 . 1 . . . . . 3 Ser C . 12040 1 2 . 1 . 1 3 3 SER CA C 13 56.686 0.000 . 1 . . . . . 3 Ser CA . 12040 1 3 . 1 . 1 3 3 SER CB C 13 64.635 0.030 . 1 . . . . . 3 Ser CB . 12040 1 4 . 1 . 1 4 4 LEU H H 1 9.197 0.022 . 1 . . . . . 4 Leu H . 12040 1 5 . 1 . 1 4 4 LEU C C 13 179.174 0.050 . 1 . . . . . 4 Leu C . 12040 1 6 . 1 . 1 4 4 LEU CA C 13 58.038 0.017 . 1 . . . . . 4 Leu CA . 12040 1 7 . 1 . 1 4 4 LEU CB C 13 40.067 0.057 . 1 . . . . . 4 Leu CB . 12040 1 8 . 1 . 1 4 4 LEU N N 15 123.200 0.082 . 1 . . . . . 4 Leu N . 12040 1 9 . 1 . 1 5 5 ALA H H 1 8.665 0.014 . 1 . . . . . 5 Ala H . 12040 1 10 . 1 . 1 5 5 ALA C C 13 181.792 0.000 . 1 . . . . . 5 Ala C . 12040 1 11 . 1 . 1 5 5 ALA CA C 13 55.080 0.068 . 1 . . . . . 5 Ala CA . 12040 1 12 . 1 . 1 5 5 ALA CB C 13 17.141 0.072 . 1 . . . . . 5 Ala CB . 12040 1 13 . 1 . 1 5 5 ALA N N 15 122.775 0.121 . 1 . . . . . 5 Ala N . 12040 1 14 . 1 . 1 6 6 GLU H H 1 7.753 0.021 . 1 . . . . . 6 Glu H . 12040 1 15 . 1 . 1 6 6 GLU C C 13 179.528 0.030 . 1 . . . . . 6 Glu C . 12040 1 16 . 1 . 1 6 6 GLU CA C 13 58.778 0.018 . 1 . . . . . 6 Glu CA . 12040 1 17 . 1 . 1 6 6 GLU CB C 13 28.818 0.064 . 1 . . . . . 6 Glu CB . 12040 1 18 . 1 . 1 6 6 GLU N N 15 119.815 0.292 . 1 . . . . . 6 Glu N . 12040 1 19 . 1 . 1 7 7 LEU H H 1 8.612 0.036 . 1 . . . . . 7 Leu H . 12040 1 20 . 1 . 1 7 7 LEU C C 13 179.664 0.240 . 1 . . . . . 7 Leu C . 12040 1 21 . 1 . 1 7 7 LEU CA C 13 57.633 0.108 . 1 . . . . . 7 Leu CA . 12040 1 22 . 1 . 1 7 7 LEU CB C 13 42.187 0.010 . 1 . . . . . 7 Leu CB . 12040 1 23 . 1 . 1 7 7 LEU N N 15 120.388 0.177 . 1 . . . . . 7 Leu N . 12040 1 24 . 1 . 1 8 8 THR H H 1 8.602 0.006 . 1 . . . . . 8 Thr H . 12040 1 25 . 1 . 1 8 8 THR C C 13 179.486 0.056 . 1 . . . . . 8 Thr C . 12040 1 26 . 1 . 1 8 8 THR CA C 13 66.661 0.007 . 1 . . . . . 8 Thr CA . 12040 1 27 . 1 . 1 8 8 THR CB C 13 67.552 0.005 . 1 . . . . . 8 Thr CB . 12040 1 28 . 1 . 1 8 8 THR N N 15 114.481 0.124 . 1 . . . . . 8 Thr N . 12040 1 29 . 1 . 1 9 9 LYS H H 1 7.687 0.008 . 1 . . . . . 9 Lys H . 12040 1 30 . 1 . 1 9 9 LYS C C 13 178.850 0.041 . 1 . . . . . 9 Lys C . 12040 1 31 . 1 . 1 9 9 LYS CA C 13 59.174 0.009 . 1 . . . . . 9 Lys CA . 12040 1 32 . 1 . 1 9 9 LYS CB C 13 30.781 0.001 . 1 . . . . . 9 Lys CB . 12040 1 33 . 1 . 1 9 9 LYS N N 15 124.839 0.170 . 1 . . . . . 9 Lys N . 12040 1 34 . 1 . 1 10 10 SER H H 1 8.161 0.004 . 1 . . . . . 10 Ser H . 12040 1 35 . 1 . 1 10 10 SER C C 13 178.911 0.000 . 1 . . . . . 10 Ser C . 12040 1 36 . 1 . 1 10 10 SER CA C 13 61.987 0.030 . 1 . . . . . 10 Ser CA . 12040 1 37 . 1 . 1 10 10 SER CB C 13 62.510 0.000 . 1 . . . . . 10 Ser CB . 12040 1 38 . 1 . 1 10 10 SER N N 15 115.527 0.050 . 1 . . . . . 10 Ser N . 12040 1 39 . 1 . 1 11 11 LEU H H 1 8.581 0.012 . 1 . . . . . 11 Leu H . 12040 1 40 . 1 . 1 11 11 LEU C C 13 177.161 0.048 . 1 . . . . . 11 Leu C . 12040 1 41 . 1 . 1 11 11 LEU CA C 13 57.704 0.004 . 1 . . . . . 11 Leu CA . 12040 1 42 . 1 . 1 11 11 LEU CB C 13 40.760 0.014 . 1 . . . . . 11 Leu CB . 12040 1 43 . 1 . 1 11 11 LEU N N 15 124.511 0.156 . 1 . . . . . 11 Leu N . 12040 1 44 . 1 . 1 12 12 SER H H 1 8.186 0.016 . 1 . . . . . 12 Ser H . 12040 1 45 . 1 . 1 12 12 SER C C 13 177.203 0.000 . 1 . . . . . 12 Ser C . 12040 1 46 . 1 . 1 12 12 SER CA C 13 62.104 0.022 . 1 . . . . . 12 Ser CA . 12040 1 47 . 1 . 1 12 12 SER CB C 13 62.727 0.000 . 1 . . . . . 12 Ser CB . 12040 1 48 . 1 . 1 12 12 SER N N 15 114.937 0.161 . 1 . . . . . 12 Ser N . 12040 1 49 . 1 . 1 13 13 ILE H H 1 7.906 0.017 . 1 . . . . . 13 Ile H . 12040 1 50 . 1 . 1 13 13 ILE C C 13 178.010 0.000 . 1 . . . . . 13 Ile C . 12040 1 51 . 1 . 1 13 13 ILE CA C 13 64.167 0.000 . 1 . . . . . 13 Ile CA . 12040 1 52 . 1 . 1 13 13 ILE CB C 13 37.606 0.011 . 1 . . . . . 13 Ile CB . 12040 1 53 . 1 . 1 13 13 ILE N N 15 122.092 0.186 . 1 . . . . . 13 Ile N . 12040 1 54 . 1 . 1 14 14 ALA H H 1 7.890 0.003 . 1 . . . . . 14 Ala H . 12040 1 55 . 1 . 1 14 14 ALA C C 13 179.508 0.000 . 1 . . . . . 14 Ala C . 12040 1 56 . 1 . 1 14 14 ALA CA C 13 54.768 0.005 . 1 . . . . . 14 Ala CA . 12040 1 57 . 1 . 1 14 14 ALA CB C 13 17.388 0.010 . 1 . . . . . 14 Ala CB . 12040 1 58 . 1 . 1 14 14 ALA N N 15 122.113 0.019 . 1 . . . . . 14 Ala N . 12040 1 59 . 1 . 1 15 15 PHE H H 1 8.737 0.023 . 1 . . . . . 15 Phe H . 12040 1 60 . 1 . 1 15 15 PHE C C 13 179.473 0.000 . 1 . . . . . 15 Phe C . 12040 1 61 . 1 . 1 15 15 PHE CA C 13 62.088 0.022 . 1 . . . . . 15 Phe CA . 12040 1 62 . 1 . 1 15 15 PHE CB C 13 38.454 0.005 . 1 . . . . . 15 Phe CB . 12040 1 63 . 1 . 1 15 15 PHE N N 15 118.445 0.074 . 1 . . . . . 15 Phe N . 12040 1 64 . 1 . 1 16 16 GLU H H 1 8.485 0.030 . 1 . . . . . 16 Glu H . 12040 1 65 . 1 . 1 16 16 GLU C C 13 177.895 0.026 . 1 . . . . . 16 Glu C . 12040 1 66 . 1 . 1 16 16 GLU CA C 13 58.517 0.023 . 1 . . . . . 16 Glu CA . 12040 1 67 . 1 . 1 16 16 GLU CB C 13 28.106 0.040 . 1 . . . . . 16 Glu CB . 12040 1 68 . 1 . 1 16 16 GLU N N 15 120.941 0.249 . 1 . . . . . 16 Glu N . 12040 1 69 . 1 . 1 17 17 ASN H H 1 7.600 0.005 . 1 . . . . . 17 Asn H . 12040 1 70 . 1 . 1 17 17 ASN C C 13 175.460 0.045 . 1 . . . . . 17 Asn C . 12040 1 71 . 1 . 1 17 17 ASN CA C 13 52.786 0.053 . 1 . . . . . 17 Asn CA . 12040 1 72 . 1 . 1 17 17 ASN CB C 13 38.330 0.024 . 1 . . . . . 17 Asn CB . 12040 1 73 . 1 . 1 17 17 ASN N N 15 115.007 0.013 . 1 . . . . . 17 Asn N . 12040 1 74 . 1 . 1 18 18 GLY H H 1 7.697 0.013 . 1 . . . . . 18 Gly H . 12040 1 75 . 1 . 1 18 18 GLY C C 13 172.844 0.031 . 1 . . . . . 18 Gly C . 12040 1 76 . 1 . 1 18 18 GLY CA C 13 44.723 0.001 . 1 . . . . . 18 Gly CA . 12040 1 77 . 1 . 1 18 18 GLY N N 15 109.581 0.148 . 1 . . . . . 18 Gly N . 12040 1 78 . 1 . 1 19 19 ASP H H 1 8.194 0.026 . 1 . . . . . 19 Asp H . 12040 1 79 . 1 . 1 19 19 ASP C C 13 176.531 0.002 . 1 . . . . . 19 Asp C . 12040 1 80 . 1 . 1 19 19 ASP CA C 13 50.546 0.007 . 1 . . . . . 19 Asp CA . 12040 1 81 . 1 . 1 19 19 ASP CB C 13 38.087 0.004 . 1 . . . . . 19 Asp CB . 12040 1 82 . 1 . 1 19 19 ASP N N 15 119.898 0.282 . 1 . . . . . 19 Asp N . 12040 1 83 . 1 . 1 20 20 TYR H H 1 7.262 0.004 . 1 . . . . . 20 Tyr H . 12040 1 84 . 1 . 1 20 20 TYR C C 13 177.974 0.047 . 1 . . . . . 20 Tyr C . 12040 1 85 . 1 . 1 20 20 TYR CA C 13 60.959 0.040 . 1 . . . . . 20 Tyr CA . 12040 1 86 . 1 . 1 20 20 TYR CB C 13 36.194 0.007 . 1 . . . . . 20 Tyr CB . 12040 1 87 . 1 . 1 20 20 TYR N N 15 123.319 0.012 . 1 . . . . . 20 Tyr N . 12040 1 88 . 1 . 1 21 21 ALA H H 1 8.700 0.012 . 1 . . . . . 21 Ala H . 12040 1 89 . 1 . 1 21 21 ALA C C 13 180.841 0.013 . 1 . . . . . 21 Ala C . 12040 1 90 . 1 . 1 21 21 ALA CA C 13 54.505 0.103 . 1 . . . . . 21 Ala CA . 12040 1 91 . 1 . 1 21 21 ALA CB C 13 17.046 0.076 . 1 . . . . . 21 Ala CB . 12040 1 92 . 1 . 1 21 21 ALA N N 15 122.821 0.026 . 1 . . . . . 21 Ala N . 12040 1 93 . 1 . 1 22 22 ALA H H 1 7.635 0.010 . 1 . . . . . 22 Ala H . 12040 1 94 . 1 . 1 22 22 ALA C C 13 181.485 0.015 . 1 . . . . . 22 Ala C . 12040 1 95 . 1 . 1 22 22 ALA CA C 13 54.221 0.072 . 1 . . . . . 22 Ala CA . 12040 1 96 . 1 . 1 22 22 ALA CB C 13 17.359 0.001 . 1 . . . . . 22 Ala CB . 12040 1 97 . 1 . 1 22 22 ALA N N 15 121.076 0.118 . 1 . . . . . 22 Ala N . 12040 1 98 . 1 . 1 23 23 CYS H H 1 7.683 0.019 . 1 . . . . . 23 Cys H . 12040 1 99 . 1 . 1 23 23 CYS C C 13 176.083 0.027 . 1 . . . . . 23 Cys C . 12040 1 100 . 1 . 1 23 23 CYS CA C 13 63.840 0.022 . 1 . . . . . 23 Cys CA . 12040 1 101 . 1 . 1 23 23 CYS CB C 13 25.995 0.031 . 1 . . . . . 23 Cys CB . 12040 1 102 . 1 . 1 23 23 CYS N N 15 115.158 0.203 . 1 . . . . . 23 Cys N . 12040 1 103 . 1 . 1 24 24 GLU H H 1 7.970 0.004 . 1 . . . . . 24 Glu H . 12040 1 104 . 1 . 1 24 24 GLU C C 13 178.461 0.049 . 1 . . . . . 24 Glu C . 12040 1 105 . 1 . 1 24 24 GLU CA C 13 59.051 0.041 . 1 . . . . . 24 Glu CA . 12040 1 106 . 1 . 1 24 24 GLU CB C 13 28.826 0.002 . 1 . . . . . 24 Glu CB . 12040 1 107 . 1 . 1 24 24 GLU N N 15 116.998 0.074 . 1 . . . . . 24 Glu N . 12040 1 108 . 1 . 1 25 25 LYS H H 1 7.332 0.004 . 1 . . . . . 25 Lys H . 12040 1 109 . 1 . 1 25 25 LYS C C 13 178.656 0.059 . 1 . . . . . 25 Lys C . 12040 1 110 . 1 . 1 25 25 LYS CA C 13 57.642 0.134 . 1 . . . . . 25 Lys CA . 12040 1 111 . 1 . 1 25 25 LYS CB C 13 31.920 0.000 . 1 . . . . . 25 Lys CB . 12040 1 112 . 1 . 1 25 25 LYS N N 15 116.528 0.117 . 1 . . . . . 25 Lys N . 12040 1 113 . 1 . 1 26 26 LEU H H 1 7.603 0.025 . 1 . . . . . 26 Leu H . 12040 1 114 . 1 . 1 26 26 LEU C C 13 177.231 0.051 . 1 . . . . . 26 Leu C . 12040 1 115 . 1 . 1 26 26 LEU CA C 13 55.754 0.023 . 1 . . . . . 26 Leu CA . 12040 1 116 . 1 . 1 26 26 LEU CB C 13 43.246 0.013 . 1 . . . . . 26 Leu CB . 12040 1 117 . 1 . 1 26 26 LEU N N 15 120.833 0.406 . 1 . . . . . 26 Leu N . 12040 1 118 . 1 . 1 27 27 LEU H H 1 7.547 0.017 . 1 . . . . . 27 Leu H . 12040 1 119 . 1 . 1 27 27 LEU C C 13 176.112 0.000 . 1 . . . . . 27 Leu C . 12040 1 120 . 1 . 1 27 27 LEU CA C 13 59.096 0.000 . 1 . . . . . 27 Leu CA . 12040 1 121 . 1 . 1 27 27 LEU CB C 13 38.545 0.000 . 1 . . . . . 27 Leu CB . 12040 1 122 . 1 . 1 27 27 LEU N N 15 119.362 0.141 . 1 . . . . . 27 Leu N . 12040 1 123 . 1 . 1 30 30 ILE H H 1 7.462 0.013 . 1 . . . . . 30 Ile H . 12040 1 124 . 1 . 1 30 30 ILE C C 13 177.184 0.038 . 1 . . . . . 30 Ile C . 12040 1 125 . 1 . 1 30 30 ILE CA C 13 65.888 0.056 . 1 . . . . . 30 Ile CA . 12040 1 126 . 1 . 1 30 30 ILE CB C 13 36.788 0.021 . 1 . . . . . 30 Ile CB . 12040 1 127 . 1 . 1 30 30 ILE N N 15 119.491 0.213 . 1 . . . . . 30 Ile N . 12040 1 128 . 1 . 1 31 31 LYS H H 1 8.696 0.003 . 1 . . . . . 31 Lys H . 12040 1 129 . 1 . 1 31 31 LYS C C 13 178.203 0.012 . 1 . . . . . 31 Lys C . 12040 1 130 . 1 . 1 31 31 LYS CA C 13 60.524 0.003 . 1 . . . . . 31 Lys CA . 12040 1 131 . 1 . 1 31 31 LYS CB C 13 30.749 0.016 . 1 . . . . . 31 Lys CB . 12040 1 132 . 1 . 1 31 31 LYS N N 15 120.782 0.104 . 1 . . . . . 31 Lys N . 12040 1 133 . 1 . 1 32 32 ILE H H 1 7.550 0.002 . 1 . . . . . 32 Ile H . 12040 1 134 . 1 . 1 32 32 ILE C C 13 178.910 0.103 . 1 . . . . . 32 Ile C . 12040 1 135 . 1 . 1 32 32 ILE CA C 13 64.356 0.008 . 1 . . . . . 32 Ile CA . 12040 1 136 . 1 . 1 32 32 ILE CB C 13 36.624 0.011 . 1 . . . . . 32 Ile CB . 12040 1 137 . 1 . 1 32 32 ILE N N 15 116.733 0.054 . 1 . . . . . 32 Ile N . 12040 1 138 . 1 . 1 33 33 GLU H H 1 7.423 0.025 . 1 . . . . . 33 Glu H . 12040 1 139 . 1 . 1 33 33 GLU C C 13 179.800 0.031 . 1 . . . . . 33 Glu C . 12040 1 140 . 1 . 1 33 33 GLU CA C 13 58.038 0.059 . 1 . . . . . 33 Glu CA . 12040 1 141 . 1 . 1 33 33 GLU CB C 13 29.186 0.012 . 1 . . . . . 33 Glu CB . 12040 1 142 . 1 . 1 33 33 GLU N N 15 118.768 0.181 . 1 . . . . . 33 Glu N . 12040 1 143 . 1 . 1 34 34 LEU H H 1 8.843 0.003 . 1 . . . . . 34 Leu H . 12040 1 144 . 1 . 1 34 34 LEU C C 13 179.427 0.183 . 1 . . . . . 34 Leu C . 12040 1 145 . 1 . 1 34 34 LEU CA C 13 57.329 0.000 . 1 . . . . . 34 Leu CA . 12040 1 146 . 1 . 1 34 34 LEU CB C 13 40.727 0.057 . 1 . . . . . 34 Leu CB . 12040 1 147 . 1 . 1 34 34 LEU N N 15 120.928 0.019 . 1 . . . . . 34 Leu N . 12040 1 148 . 1 . 1 35 35 ILE H H 1 8.418 0.022 . 1 . . . . . 35 Ile H . 12040 1 149 . 1 . 1 35 35 ILE C C 13 177.424 0.018 . 1 . . . . . 35 Ile C . 12040 1 150 . 1 . 1 35 35 ILE CA C 13 65.137 0.011 . 1 . . . . . 35 Ile CA . 12040 1 151 . 1 . 1 35 35 ILE CB C 13 37.414 0.070 . 1 . . . . . 35 Ile CB . 12040 1 152 . 1 . 1 35 35 ILE N N 15 120.622 0.245 . 1 . . . . . 35 Ile N . 12040 1 153 . 1 . 1 36 36 LYS H H 1 8.282 0.019 . 1 . . . . . 36 Lys H . 12040 1 154 . 1 . 1 36 36 LYS C C 13 177.608 0.133 . 1 . . . . . 36 Lys C . 12040 1 155 . 1 . 1 36 36 LYS CA C 13 59.084 0.011 . 1 . . . . . 36 Lys CA . 12040 1 156 . 1 . 1 36 36 LYS CB C 13 31.792 0.086 . 1 . . . . . 36 Lys CB . 12040 1 157 . 1 . 1 36 36 LYS N N 15 122.124 0.230 . 1 . . . . . 36 Lys N . 12040 1 158 . 1 . 1 37 37 ASN H H 1 7.486 0.019 . 1 . . . . . 37 Asn H . 12040 1 159 . 1 . 1 37 37 ASN C C 13 173.223 0.004 . 1 . . . . . 37 Asn C . 12040 1 160 . 1 . 1 37 37 ASN CA C 13 53.022 0.003 . 1 . . . . . 37 Asn CA . 12040 1 161 . 1 . 1 37 37 ASN CB C 13 39.194 0.008 . 1 . . . . . 37 Asn CB . 12040 1 162 . 1 . 1 37 37 ASN N N 15 113.259 0.172 . 1 . . . . . 37 Asn N . 12040 1 163 . 1 . 1 38 38 ASN H H 1 8.068 0.004 . 1 . . . . . 38 Asn H . 12040 1 164 . 1 . 1 38 38 ASN C C 13 175.207 0.046 . 1 . . . . . 38 Asn C . 12040 1 165 . 1 . 1 38 38 ASN CA C 13 54.045 0.061 . 1 . . . . . 38 Asn CA . 12040 1 166 . 1 . 1 38 38 ASN CB C 13 36.330 0.030 . 1 . . . . . 38 Asn CB . 12040 1 167 . 1 . 1 38 38 ASN N N 15 116.939 0.061 . 1 . . . . . 38 Asn N . 12040 1 168 . 1 . 1 39 39 LEU H H 1 8.603 0.003 . 1 . . . . . 39 Leu H . 12040 1 169 . 1 . 1 39 39 LEU C C 13 175.302 0.000 . 1 . . . . . 39 Leu C . 12040 1 170 . 1 . 1 39 39 LEU CA C 13 53.036 0.001 . 1 . . . . . 39 Leu CA . 12040 1 171 . 1 . 1 39 39 LEU CB C 13 43.727 0.003 . 1 . . . . . 39 Leu CB . 12040 1 172 . 1 . 1 39 39 LEU N N 15 117.399 0.032 . 1 . . . . . 39 Leu N . 12040 1 173 . 1 . 1 40 40 LEU H H 1 8.009 0.027 . 1 . . . . . 40 Leu H . 12040 1 174 . 1 . 1 40 40 LEU C C 13 177.781 0.027 . 1 . . . . . 40 Leu C . 12040 1 175 . 1 . 1 40 40 LEU CA C 13 56.340 0.098 . 1 . . . . . 40 Leu CA . 12040 1 176 . 1 . 1 40 40 LEU CB C 13 43.192 0.061 . 1 . . . . . 40 Leu CB . 12040 1 177 . 1 . 1 40 40 LEU N N 15 119.826 0.268 . 1 . . . . . 40 Leu N . 12040 1 178 . 1 . 1 41 41 ILE H H 1 8.772 0.010 . 1 . . . . . 41 Ile H . 12040 1 179 . 1 . 1 41 41 ILE C C 13 177.862 0.000 . 1 . . . . . 41 Ile C . 12040 1 180 . 1 . 1 41 41 ILE CA C 13 57.448 0.000 . 1 . . . . . 41 Ile CA . 12040 1 181 . 1 . 1 41 41 ILE CB C 13 38.247 0.000 . 1 . . . . . 41 Ile CB . 12040 1 182 . 1 . 1 41 41 ILE N N 15 124.281 0.165 . 1 . . . . . 41 Ile N . 12040 1 183 . 1 . 1 42 42 PRO C C 13 175.382 0.000 . 1 . . . . . 42 Pro C . 12040 1 184 . 1 . 1 42 42 PRO CA C 13 62.956 0.000 . 1 . . . . . 42 Pro CA . 12040 1 185 . 1 . 1 42 42 PRO CB C 13 31.646 0.000 . 1 . . . . . 42 Pro CB . 12040 1 186 . 1 . 1 43 43 ASP H H 1 8.619 0.003 . 1 . . . . . 43 Asp H . 12040 1 187 . 1 . 1 43 43 ASP C C 13 176.584 0.018 . 1 . . . . . 43 Asp C . 12040 1 188 . 1 . 1 43 43 ASP CA C 13 52.371 0.001 . 1 . . . . . 43 Asp CA . 12040 1 189 . 1 . 1 43 43 ASP CB C 13 39.749 0.000 . 1 . . . . . 43 Asp CB . 12040 1 190 . 1 . 1 43 43 ASP N N 15 123.785 0.065 . 1 . . . . . 43 Asp N . 12040 1 191 . 1 . 1 44 44 LEU H H 1 8.572 0.020 . 1 . . . . . 44 Leu H . 12040 1 192 . 1 . 1 44 44 LEU C C 13 177.935 0.040 . 1 . . . . . 44 Leu C . 12040 1 193 . 1 . 1 44 44 LEU CA C 13 55.108 0.012 . 1 . . . . . 44 Leu CA . 12040 1 194 . 1 . 1 44 44 LEU CB C 13 38.559 0.000 . 1 . . . . . 44 Leu CB . 12040 1 195 . 1 . 1 44 44 LEU N N 15 122.469 0.167 . 1 . . . . . 44 Leu N . 12040 1 196 . 1 . 1 45 45 SER H H 1 8.625 0.003 . 1 . . . . . 45 Ser H . 12040 1 197 . 1 . 1 45 45 SER C C 13 174.551 0.041 . 1 . . . . . 45 Ser C . 12040 1 198 . 1 . 1 45 45 SER CA C 13 59.744 0.007 . 1 . . . . . 45 Ser CA . 12040 1 199 . 1 . 1 45 45 SER CB C 13 62.993 0.015 . 1 . . . . . 45 Ser CB . 12040 1 200 . 1 . 1 45 45 SER N N 15 115.710 0.014 . 1 . . . . . 45 Ser N . 12040 1 201 . 1 . 1 46 46 ILE H H 1 7.403 0.005 . 1 . . . . . 46 Ile H . 12040 1 202 . 1 . 1 46 46 ILE C C 13 175.420 0.033 . 1 . . . . . 46 Ile C . 12040 1 203 . 1 . 1 46 46 ILE CA C 13 61.223 0.004 . 1 . . . . . 46 Ile CA . 12040 1 204 . 1 . 1 46 46 ILE CB C 13 36.113 0.009 . 1 . . . . . 46 Ile CB . 12040 1 205 . 1 . 1 46 46 ILE N N 15 124.184 0.027 . 1 . . . . . 46 Ile N . 12040 1 206 . 1 . 1 47 47 GLN H H 1 8.512 0.017 . 1 . . . . . 47 Gln H . 12040 1 207 . 1 . 1 47 47 GLN C C 13 174.877 0.082 . 1 . . . . . 47 Gln C . 12040 1 208 . 1 . 1 47 47 GLN CA C 13 54.288 0.036 . 1 . . . . . 47 Gln CA . 12040 1 209 . 1 . 1 47 47 GLN CB C 13 27.815 0.017 . 1 . . . . . 47 Gln CB . 12040 1 210 . 1 . 1 47 47 GLN N N 15 125.480 0.163 . 1 . . . . . 47 Gln N . 12040 1 211 . 1 . 1 48 48 ASN H H 1 7.320 0.010 . 1 . . . . . 48 Asn H . 12040 1 212 . 1 . 1 48 48 ASN C C 13 174.769 0.051 . 1 . . . . . 48 Asn C . 12040 1 213 . 1 . 1 48 48 ASN CA C 13 53.354 0.001 . 1 . . . . . 48 Asn CA . 12040 1 214 . 1 . 1 48 48 ASN CB C 13 39.859 0.007 . 1 . . . . . 48 Asn CB . 12040 1 215 . 1 . 1 48 48 ASN N N 15 118.568 0.200 . 1 . . . . . 48 Asn N . 12040 1 216 . 1 . 1 49 49 ASP H H 1 9.006 0.003 . 1 . . . . . 49 Asp H . 12040 1 217 . 1 . 1 49 49 ASP C C 13 177.855 0.046 . 1 . . . . . 49 Asp C . 12040 1 218 . 1 . 1 49 49 ASP CA C 13 57.382 0.007 . 1 . . . . . 49 Asp CA . 12040 1 219 . 1 . 1 49 49 ASP CB C 13 40.156 0.064 . 1 . . . . . 49 Asp CB . 12040 1 220 . 1 . 1 49 49 ASP N N 15 124.456 0.018 . 1 . . . . . 49 Asp N . 12040 1 221 . 1 . 1 50 50 ILE H H 1 8.002 0.024 . 1 . . . . . 50 Ile H . 12040 1 222 . 1 . 1 50 50 ILE C C 13 178.058 0.026 . 1 . . . . . 50 Ile C . 12040 1 223 . 1 . 1 50 50 ILE CA C 13 64.150 0.003 . 1 . . . . . 50 Ile CA . 12040 1 224 . 1 . 1 50 50 ILE CB C 13 36.200 0.004 . 1 . . . . . 50 Ile CB . 12040 1 225 . 1 . 1 50 50 ILE N N 15 121.881 0.240 . 1 . . . . . 50 Ile N . 12040 1 226 . 1 . 1 51 51 TYR H H 1 7.795 0.017 . 1 . . . . . 51 Tyr H . 12040 1 227 . 1 . 1 51 51 TYR C C 13 177.255 0.021 . 1 . . . . . 51 Tyr C . 12040 1 228 . 1 . 1 51 51 TYR CA C 13 59.803 0.002 . 1 . . . . . 51 Tyr CA . 12040 1 229 . 1 . 1 51 51 TYR CB C 13 38.167 0.011 . 1 . . . . . 51 Tyr CB . 12040 1 230 . 1 . 1 51 51 TYR N N 15 121.582 0.191 . 1 . . . . . 51 Tyr N . 12040 1 231 . 1 . 1 52 52 LEU H H 1 7.969 0.019 . 1 . . . . . 52 Leu H . 12040 1 232 . 1 . 1 52 52 LEU C C 13 179.009 0.075 . 1 . . . . . 52 Leu C . 12040 1 233 . 1 . 1 52 52 LEU CA C 13 57.647 0.177 . 1 . . . . . 52 Leu CA . 12040 1 234 . 1 . 1 52 52 LEU CB C 13 40.193 0.010 . 1 . . . . . 52 Leu CB . 12040 1 235 . 1 . 1 52 52 LEU N N 15 117.550 0.282 . 1 . . . . . 52 Leu N . 12040 1 236 . 1 . 1 53 53 ASN H H 1 7.947 0.006 . 1 . . . . . 53 Asn H . 12040 1 237 . 1 . 1 53 53 ASN C C 13 178.323 0.062 . 1 . . . . . 53 Asn C . 12040 1 238 . 1 . 1 53 53 ASN CA C 13 55.816 0.000 . 1 . . . . . 53 Asn CA . 12040 1 239 . 1 . 1 53 53 ASN CB C 13 37.567 0.017 . 1 . . . . . 53 Asn CB . 12040 1 240 . 1 . 1 53 53 ASN N N 15 116.597 0.113 . 1 . . . . . 53 Asn N . 12040 1 241 . 1 . 1 54 54 ASP H H 1 8.135 0.031 . 1 . . . . . 54 Asp H . 12040 1 242 . 1 . 1 54 54 ASP C C 13 180.123 0.035 . 1 . . . . . 54 Asp C . 12040 1 243 . 1 . 1 54 54 ASP CA C 13 57.363 0.166 . 1 . . . . . 54 Asp CA . 12040 1 244 . 1 . 1 54 54 ASP CB C 13 39.869 0.014 . 1 . . . . . 54 Asp CB . 12040 1 245 . 1 . 1 54 54 ASP N N 15 122.622 0.199 . 1 . . . . . 54 Asp N . 12040 1 246 . 1 . 1 55 55 LEU H H 1 8.407 0.023 . 1 . . . . . 55 Leu H . 12040 1 247 . 1 . 1 55 55 LEU C C 13 177.324 0.000 . 1 . . . . . 55 Leu C . 12040 1 248 . 1 . 1 55 55 LEU CA C 13 57.375 0.000 . 1 . . . . . 55 Leu CA . 12040 1 249 . 1 . 1 55 55 LEU CB C 13 41.079 0.028 . 1 . . . . . 55 Leu CB . 12040 1 250 . 1 . 1 55 55 LEU N N 15 122.442 0.298 . 1 . . . . . 55 Leu N . 12040 1 251 . 1 . 1 56 56 MET H H 1 8.319 0.013 . 1 . . . . . 56 Met H . 12040 1 252 . 1 . 1 56 56 MET C C 13 176.245 0.000 . 1 . . . . . 56 Met C . 12040 1 253 . 1 . 1 56 56 MET CA C 13 56.958 0.000 . 1 . . . . . 56 Met CA . 12040 1 254 . 1 . 1 56 56 MET CB C 13 31.791 0.000 . 1 . . . . . 56 Met CB . 12040 1 255 . 1 . 1 56 56 MET N N 15 123.618 0.184 . 1 . . . . . 56 Met N . 12040 1 256 . 1 . 1 59 59 LYS H H 1 7.957 0.006 . 1 . . . . . 59 Lys H . 12040 1 257 . 1 . 1 59 59 LYS C C 13 176.617 0.000 . 1 . . . . . 59 Lys C . 12040 1 258 . 1 . 1 59 59 LYS CA C 13 59.086 0.000 . 1 . . . . . 59 Lys CA . 12040 1 259 . 1 . 1 59 59 LYS CB C 13 30.922 0.005 . 1 . . . . . 59 Lys CB . 12040 1 260 . 1 . 1 59 59 LYS N N 15 120.337 0.058 . 1 . . . . . 59 Lys N . 12040 1 261 . 1 . 1 60 60 ARG H H 1 7.135 0.010 . 1 . . . . . 60 Arg H . 12040 1 262 . 1 . 1 60 60 ARG C C 13 178.842 0.026 . 1 . . . . . 60 Arg C . 12040 1 263 . 1 . 1 60 60 ARG CA C 13 58.983 0.000 . 1 . . . . . 60 Arg CA . 12040 1 264 . 1 . 1 60 60 ARG CB C 13 28.861 0.182 . 1 . . . . . 60 Arg CB . 12040 1 265 . 1 . 1 60 60 ARG N N 15 116.355 0.016 . 1 . . . . . 60 Arg N . 12040 1 266 . 1 . 1 61 61 ILE H H 1 8.152 0.029 . 1 . . . . . 61 Ile H . 12040 1 267 . 1 . 1 61 61 ILE C C 13 177.381 0.000 . 1 . . . . . 61 Ile C . 12040 1 268 . 1 . 1 61 61 ILE CA C 13 65.186 0.015 . 1 . . . . . 61 Ile CA . 12040 1 269 . 1 . 1 61 61 ILE CB C 13 36.872 0.011 . 1 . . . . . 61 Ile CB . 12040 1 270 . 1 . 1 61 61 ILE N N 15 120.414 0.162 . 1 . . . . . 61 Ile N . 12040 1 271 . 1 . 1 62 62 LEU H H 1 8.331 0.006 . 1 . . . . . 62 Leu H . 12040 1 272 . 1 . 1 62 62 LEU C C 13 179.202 0.091 . 1 . . . . . 62 Leu C . 12040 1 273 . 1 . 1 62 62 LEU CA C 13 57.090 0.027 . 1 . . . . . 62 Leu CA . 12040 1 274 . 1 . 1 62 62 LEU CB C 13 39.827 0.043 . 1 . . . . . 62 Leu CB . 12040 1 275 . 1 . 1 62 62 LEU N N 15 118.542 0.019 . 1 . . . . . 62 Leu N . 12040 1 276 . 1 . 1 63 63 GLU H H 1 8.060 0.010 . 1 . . . . . 63 Glu H . 12040 1 277 . 1 . 1 63 63 GLU C C 13 178.597 0.046 . 1 . . . . . 63 Glu C . 12040 1 278 . 1 . 1 63 63 GLU CA C 13 59.514 0.000 . 1 . . . . . 63 Glu CA . 12040 1 279 . 1 . 1 63 63 GLU CB C 13 28.828 0.002 . 1 . . . . . 63 Glu CB . 12040 1 280 . 1 . 1 63 63 GLU N N 15 118.653 0.139 . 1 . . . . . 63 Glu N . 12040 1 281 . 1 . 1 64 64 VAL H H 1 7.826 0.019 . 1 . . . . . 64 Val H . 12040 1 282 . 1 . 1 64 64 VAL C C 13 177.838 0.056 . 1 . . . . . 64 Val C . 12040 1 283 . 1 . 1 64 64 VAL CA C 13 66.224 0.021 . 1 . . . . . 64 Val CA . 12040 1 284 . 1 . 1 64 64 VAL CB C 13 29.195 0.026 . 1 . . . . . 64 Val CB . 12040 1 285 . 1 . 1 64 64 VAL N N 15 119.136 0.251 . 1 . . . . . 64 Val N . 12040 1 286 . 1 . 1 65 65 GLY H H 1 8.513 0.005 . 1 . . . . . 65 Gly H . 12040 1 287 . 1 . 1 65 65 GLY C C 13 176.872 0.000 . 1 . . . . . 65 Gly C . 12040 1 288 . 1 . 1 65 65 GLY CA C 13 46.716 0.003 . 1 . . . . . 65 Gly CA . 12040 1 289 . 1 . 1 65 65 GLY N N 15 106.643 0.070 . 1 . . . . . 65 Gly N . 12040 1 290 . 1 . 1 66 66 ALA H H 1 8.521 0.022 . 1 . . . . . 66 Ala H . 12040 1 291 . 1 . 1 66 66 ALA C C 13 178.759 0.041 . 1 . . . . . 66 Ala C . 12040 1 292 . 1 . 1 66 66 ALA CA C 13 56.076 0.003 . 1 . . . . . 66 Ala CA . 12040 1 293 . 1 . 1 66 66 ALA CB C 13 17.943 0.000 . 1 . . . . . 66 Ala CB . 12040 1 294 . 1 . 1 66 66 ALA N N 15 126.293 0.212 . 1 . . . . . 66 Ala N . 12040 1 295 . 1 . 1 67 67 LEU H H 1 8.493 0.013 . 1 . . . . . 67 Leu H . 12040 1 296 . 1 . 1 67 67 LEU C C 13 179.902 0.040 . 1 . . . . . 67 Leu C . 12040 1 297 . 1 . 1 67 67 LEU CA C 13 57.796 0.018 . 1 . . . . . 67 Leu CA . 12040 1 298 . 1 . 1 67 67 LEU CB C 13 40.451 0.003 . 1 . . . . . 67 Leu CB . 12040 1 299 . 1 . 1 67 67 LEU N N 15 118.120 0.138 . 1 . . . . . 67 Leu N . 12040 1 300 . 1 . 1 68 68 ALA H H 1 9.620 0.003 . 1 . . . . . 68 Ala H . 12040 1 301 . 1 . 1 68 68 ALA C C 13 179.335 0.068 . 1 . . . . . 68 Ala C . 12040 1 302 . 1 . 1 68 68 ALA CA C 13 54.893 0.006 . 1 . . . . . 68 Ala CA . 12040 1 303 . 1 . 1 68 68 ALA CB C 13 16.629 0.009 . 1 . . . . . 68 Ala CB . 12040 1 304 . 1 . 1 68 68 ALA N N 15 121.918 0.010 . 1 . . . . . 68 Ala N . 12040 1 305 . 1 . 1 69 69 SER H H 1 7.788 0.022 . 1 . . . . . 69 Ser H . 12040 1 306 . 1 . 1 69 69 SER C C 13 179.402 0.000 . 1 . . . . . 69 Ser C . 12040 1 307 . 1 . 1 69 69 SER CA C 13 62.098 0.049 . 1 . . . . . 69 Ser CA . 12040 1 308 . 1 . 1 69 69 SER CB C 13 63.083 0.000 . 1 . . . . . 69 Ser CB . 12040 1 309 . 1 . 1 69 69 SER N N 15 112.040 0.156 . 1 . . . . . 69 Ser N . 12040 1 310 . 1 . 1 70 70 ILE H H 1 7.596 0.005 . 1 . . . . . 70 Ile H . 12040 1 311 . 1 . 1 70 70 ILE C C 13 178.812 0.033 . 1 . . . . . 70 Ile C . 12040 1 312 . 1 . 1 70 70 ILE CA C 13 62.736 0.025 . 1 . . . . . 70 Ile CA . 12040 1 313 . 1 . 1 70 70 ILE CB C 13 35.719 0.000 . 1 . . . . . 70 Ile CB . 12040 1 314 . 1 . 1 70 70 ILE N N 15 121.225 0.051 . 1 . . . . . 70 Ile N . 12040 1 315 . 1 . 1 71 71 GLN H H 1 7.417 0.042 . 1 . . . . . 71 Gln H . 12040 1 316 . 1 . 1 71 71 GLN C C 13 177.020 0.040 . 1 . . . . . 71 Gln C . 12040 1 317 . 1 . 1 71 71 GLN CA C 13 56.845 0.022 . 1 . . . . . 71 Gln CA . 12040 1 318 . 1 . 1 71 71 GLN CB C 13 27.381 0.011 . 1 . . . . . 71 Gln CB . 12040 1 319 . 1 . 1 71 71 GLN N N 15 117.643 0.299 . 1 . . . . . 71 Gln N . 12040 1 320 . 1 . 1 72 72 THR H H 1 7.298 0.005 . 1 . . . . . 72 Thr H . 12040 1 321 . 1 . 1 72 72 THR C C 13 174.118 0.063 . 1 . . . . . 72 Thr C . 12040 1 322 . 1 . 1 72 72 THR CA C 13 60.370 0.006 . 1 . . . . . 72 Thr CA . 12040 1 323 . 1 . 1 72 72 THR CB C 13 68.066 0.020 . 1 . . . . . 72 Thr CB . 12040 1 324 . 1 . 1 72 72 THR N N 15 106.149 0.031 . 1 . . . . . 72 Thr N . 12040 1 325 . 1 . 1 73 73 PHE H H 1 7.331 0.005 . 1 . . . . . 73 Phe H . 12040 1 326 . 1 . 1 73 73 PHE C C 13 173.486 0.034 . 1 . . . . . 73 Phe C . 12040 1 327 . 1 . 1 73 73 PHE CA C 13 58.143 0.000 . 1 . . . . . 73 Phe CA . 12040 1 328 . 1 . 1 73 73 PHE CB C 13 34.298 0.009 . 1 . . . . . 73 Phe CB . 12040 1 329 . 1 . 1 73 73 PHE N N 15 116.735 0.046 . 1 . . . . . 73 Phe N . 12040 1 330 . 1 . 1 74 74 ASN H H 1 8.472 0.017 . 1 . . . . . 74 Asn H . 12040 1 331 . 1 . 1 74 74 ASN C C 13 175.905 0.067 . 1 . . . . . 74 Asn C . 12040 1 332 . 1 . 1 74 74 ASN CA C 13 50.479 0.001 . 1 . . . . . 74 Asn CA . 12040 1 333 . 1 . 1 74 74 ASN CB C 13 36.698 0.024 . 1 . . . . . 74 Asn CB . 12040 1 334 . 1 . 1 74 74 ASN N N 15 119.391 0.157 . 1 . . . . . 74 Asn N . 12040 1 335 . 1 . 1 75 75 PHE H H 1 7.621 0.017 . 1 . . . . . 75 Phe H . 12040 1 336 . 1 . 1 75 75 PHE C C 13 178.034 0.008 . 1 . . . . . 75 Phe C . 12040 1 337 . 1 . 1 75 75 PHE CA C 13 60.819 0.010 . 1 . . . . . 75 Phe CA . 12040 1 338 . 1 . 1 75 75 PHE CB C 13 37.031 0.061 . 1 . . . . . 75 Phe CB . 12040 1 339 . 1 . 1 75 75 PHE N N 15 122.455 0.266 . 1 . . . . . 75 Phe N . 12040 1 340 . 1 . 1 76 76 ASP H H 1 8.958 0.011 . 1 . . . . . 76 Asp H . 12040 1 341 . 1 . 1 76 76 ASP C C 13 179.106 0.008 . 1 . . . . . 76 Asp C . 12040 1 342 . 1 . 1 76 76 ASP CA C 13 57.067 0.104 . 1 . . . . . 76 Asp CA . 12040 1 343 . 1 . 1 76 76 ASP CB C 13 39.520 0.006 . 1 . . . . . 76 Asp CB . 12040 1 344 . 1 . 1 76 76 ASP N N 15 120.625 0.146 . 1 . . . . . 76 Asp N . 12040 1 345 . 1 . 1 77 77 SER H H 1 7.705 0.024 . 1 . . . . . 77 Ser H . 12040 1 346 . 1 . 1 77 77 SER C C 13 177.368 0.000 . 1 . . . . . 77 Ser C . 12040 1 347 . 1 . 1 77 77 SER CA C 13 60.980 0.000 . 1 . . . . . 77 Ser CA . 12040 1 348 . 1 . 1 77 77 SER CB C 13 62.062 0.029 . 1 . . . . . 77 Ser CB . 12040 1 349 . 1 . 1 77 77 SER N N 15 115.852 0.289 . 1 . . . . . 77 Ser N . 12040 1 350 . 1 . 1 78 78 PHE H H 1 8.352 0.009 . 1 . . . . . 78 Phe H . 12040 1 351 . 1 . 1 78 78 PHE C C 13 176.180 0.000 . 1 . . . . . 78 Phe C . 12040 1 352 . 1 . 1 78 78 PHE CA C 13 61.415 0.031 . 1 . . . . . 78 Phe CA . 12040 1 353 . 1 . 1 78 78 PHE CB C 13 37.437 0.068 . 1 . . . . . 78 Phe CB . 12040 1 354 . 1 . 1 78 78 PHE N N 15 120.942 0.213 . 1 . . . . . 78 Phe N . 12040 1 355 . 1 . 1 79 79 GLU H H 1 8.328 0.015 . 1 . . . . . 79 Glu H . 12040 1 356 . 1 . 1 79 79 GLU C C 13 177.579 0.084 . 1 . . . . . 79 Glu C . 12040 1 357 . 1 . 1 79 79 GLU CA C 13 59.994 0.036 . 1 . . . . . 79 Glu CA . 12040 1 358 . 1 . 1 79 79 GLU CB C 13 28.718 0.079 . 1 . . . . . 79 Glu CB . 12040 1 359 . 1 . 1 79 79 GLU N N 15 120.005 0.140 . 1 . . . . . 79 Glu N . 12040 1 360 . 1 . 1 80 80 ASN H H 1 7.633 0.021 . 1 . . . . . 80 Asn H . 12040 1 361 . 1 . 1 80 80 ASN C C 13 178.378 0.075 . 1 . . . . . 80 Asn C . 12040 1 362 . 1 . 1 80 80 ASN CA C 13 56.366 0.026 . 1 . . . . . 80 Asn CA . 12040 1 363 . 1 . 1 80 80 ASN CB C 13 40.811 0.172 . 1 . . . . . 80 Asn CB . 12040 1 364 . 1 . 1 80 80 ASN N N 15 117.282 0.320 . 1 . . . . . 80 Asn N . 12040 1 365 . 1 . 1 81 81 TYR H H 1 8.245 0.019 . 1 . . . . . 81 Tyr H . 12040 1 366 . 1 . 1 81 81 TYR C C 13 177.701 0.059 . 1 . . . . . 81 Tyr C . 12040 1 367 . 1 . 1 81 81 TYR CA C 13 56.137 0.048 . 1 . . . . . 81 Tyr CA . 12040 1 368 . 1 . 1 81 81 TYR CB C 13 41.362 0.008 . 1 . . . . . 81 Tyr CB . 12040 1 369 . 1 . 1 81 81 TYR N N 15 118.556 0.127 . 1 . . . . . 81 Tyr N . 12040 1 370 . 1 . 1 82 82 PHE H H 1 8.830 0.008 . 1 . . . . . 82 Phe H . 12040 1 371 . 1 . 1 82 82 PHE C C 13 177.475 0.011 . 1 . . . . . 82 Phe C . 12040 1 372 . 1 . 1 82 82 PHE CA C 13 62.541 0.000 . 1 . . . . . 82 Phe CA . 12040 1 373 . 1 . 1 82 82 PHE CB C 13 40.537 0.000 . 1 . . . . . 82 Phe CB . 12040 1 374 . 1 . 1 82 82 PHE N N 15 119.201 0.123 . 1 . . . . . 82 Phe N . 12040 1 375 . 1 . 1 83 83 ASN H H 1 8.507 0.012 . 1 . . . . . 83 Asn H . 12040 1 376 . 1 . 1 83 83 ASN C C 13 179.424 0.049 . 1 . . . . . 83 Asn C . 12040 1 377 . 1 . 1 83 83 ASN CA C 13 56.209 0.051 . 1 . . . . . 83 Asn CA . 12040 1 378 . 1 . 1 83 83 ASN CB C 13 37.234 0.000 . 1 . . . . . 83 Asn CB . 12040 1 379 . 1 . 1 83 83 ASN N N 15 116.547 0.024 . 1 . . . . . 83 Asn N . 12040 1 380 . 1 . 1 84 84 GLN H H 1 7.672 0.005 . 1 . . . . . 84 Gln H . 12040 1 381 . 1 . 1 84 84 GLN C C 13 176.802 0.044 . 1 . . . . . 84 Gln C . 12040 1 382 . 1 . 1 84 84 GLN CA C 13 57.445 0.038 . 1 . . . . . 84 Gln CA . 12040 1 383 . 1 . 1 84 84 GLN CB C 13 28.323 0.027 . 1 . . . . . 84 Gln CB . 12040 1 384 . 1 . 1 84 84 GLN N N 15 119.692 0.072 . 1 . . . . . 84 Gln N . 12040 1 385 . 1 . 1 85 85 LEU H H 1 7.464 0.004 . 1 . . . . . 85 Leu H . 12040 1 386 . 1 . 1 85 85 LEU C C 13 178.949 0.004 . 1 . . . . . 85 Leu C . 12040 1 387 . 1 . 1 85 85 LEU CA C 13 55.469 0.011 . 1 . . . . . 85 Leu CA . 12040 1 388 . 1 . 1 85 85 LEU CB C 13 41.514 0.009 . 1 . . . . . 85 Leu CB . 12040 1 389 . 1 . 1 85 85 LEU N N 15 119.363 0.025 . 1 . . . . . 85 Leu N . 12040 1 390 . 1 . 1 86 86 LYS H H 1 7.369 0.004 . 1 . . . . . 86 Lys H . 12040 1 391 . 1 . 1 86 86 LYS C C 13 174.982 0.000 . 1 . . . . . 86 Lys C . 12040 1 392 . 1 . 1 86 86 LYS CA C 13 62.503 0.000 . 1 . . . . . 86 Lys CA . 12040 1 393 . 1 . 1 86 86 LYS CB C 13 29.302 0.000 . 1 . . . . . 86 Lys CB . 12040 1 394 . 1 . 1 86 86 LYS N N 15 123.244 0.015 . 1 . . . . . 86 Lys N . 12040 1 395 . 1 . 1 87 87 PRO C C 13 175.819 0.000 . 1 . . . . . 87 Pro C . 12040 1 396 . 1 . 1 87 87 PRO CA C 13 64.264 0.000 . 1 . . . . . 87 Pro CA . 12040 1 397 . 1 . 1 87 87 PRO CB C 13 30.477 0.000 . 1 . . . . . 87 Pro CB . 12040 1 398 . 1 . 1 88 88 TYR H H 1 7.357 0.008 . 1 . . . . . 88 Tyr H . 12040 1 399 . 1 . 1 88 88 TYR C C 13 176.966 0.005 . 1 . . . . . 88 Tyr C . 12040 1 400 . 1 . 1 88 88 TYR CA C 13 59.810 0.060 . 1 . . . . . 88 Tyr CA . 12040 1 401 . 1 . 1 88 88 TYR CB C 13 36.663 0.027 . 1 . . . . . 88 Tyr CB . 12040 1 402 . 1 . 1 88 88 TYR N N 15 113.993 0.054 . 1 . . . . . 88 Tyr N . 12040 1 403 . 1 . 1 89 89 TYR H H 1 7.968 0.009 . 1 . . . . . 89 Tyr H . 12040 1 404 . 1 . 1 89 89 TYR C C 13 176.366 0.028 . 1 . . . . . 89 Tyr C . 12040 1 405 . 1 . 1 89 89 TYR CA C 13 55.842 0.026 . 1 . . . . . 89 Tyr CA . 12040 1 406 . 1 . 1 89 89 TYR CB C 13 35.868 0.030 . 1 . . . . . 89 Tyr CB . 12040 1 407 . 1 . 1 89 89 TYR N N 15 116.848 0.134 . 1 . . . . . 89 Tyr N . 12040 1 408 . 1 . 1 90 90 PHE H H 1 7.999 0.024 . 1 . . . . . 90 Phe H . 12040 1 409 . 1 . 1 90 90 PHE C C 13 175.701 0.018 . 1 . . . . . 90 Phe C . 12040 1 410 . 1 . 1 90 90 PHE CA C 13 54.964 0.007 . 1 . . . . . 90 Phe CA . 12040 1 411 . 1 . 1 90 90 PHE CB C 13 35.608 0.047 . 1 . . . . . 90 Phe CB . 12040 1 412 . 1 . 1 90 90 PHE N N 15 115.041 0.189 . 1 . . . . . 90 Phe N . 12040 1 413 . 1 . 1 91 91 SER H H 1 6.990 0.019 . 1 . . . . . 91 Ser H . 12040 1 414 . 1 . 1 91 91 SER C C 13 174.287 0.045 . 1 . . . . . 91 Ser C . 12040 1 415 . 1 . 1 91 91 SER CA C 13 57.929 0.014 . 1 . . . . . 91 Ser CA . 12040 1 416 . 1 . 1 91 91 SER CB C 13 64.490 0.011 . 1 . . . . . 91 Ser CB . 12040 1 417 . 1 . 1 91 91 SER N N 15 114.240 0.273 . 1 . . . . . 91 Ser N . 12040 1 418 . 1 . 1 92 92 ASN H H 1 8.504 0.004 . 1 . . . . . 92 Asn H . 12040 1 419 . 1 . 1 92 92 ASN C C 13 174.476 0.055 . 1 . . . . . 92 Asn C . 12040 1 420 . 1 . 1 92 92 ASN CA C 13 52.903 0.000 . 1 . . . . . 92 Asn CA . 12040 1 421 . 1 . 1 92 92 ASN CB C 13 37.438 0.016 . 1 . . . . . 92 Asn CB . 12040 1 422 . 1 . 1 92 92 ASN N N 15 118.381 0.033 . 1 . . . . . 92 Asn N . 12040 1 423 . 1 . 1 93 93 ASN H H 1 7.904 0.004 . 1 . . . . . 93 Asn H . 12040 1 424 . 1 . 1 93 93 ASN C C 13 176.396 0.159 . 1 . . . . . 93 Asn C . 12040 1 425 . 1 . 1 93 93 ASN CA C 13 52.458 0.000 . 1 . . . . . 93 Asn CA . 12040 1 426 . 1 . 1 93 93 ASN CB C 13 39.409 0.093 . 1 . . . . . 93 Asn CB . 12040 1 427 . 1 . 1 93 93 ASN N N 15 118.739 0.014 . 1 . . . . . 93 Asn N . 12040 1 428 . 1 . 1 94 94 HIS H H 1 7.130 0.014 . 1 . . . . . 94 His H . 12040 1 429 . 1 . 1 94 94 HIS C C 13 176.594 0.095 . 1 . . . . . 94 His C . 12040 1 430 . 1 . 1 94 94 HIS CA C 13 58.489 0.078 . 1 . . . . . 94 His CA . 12040 1 431 . 1 . 1 94 94 HIS CB C 13 28.940 0.029 . 1 . . . . . 94 His CB . 12040 1 432 . 1 . 1 94 94 HIS N N 15 116.387 0.139 . 1 . . . . . 94 His N . 12040 1 433 . 1 . 1 95 95 LYS H H 1 7.895 0.004 . 1 . . . . . 95 Lys H . 12040 1 434 . 1 . 1 95 95 LYS C C 13 178.810 0.043 . 1 . . . . . 95 Lys C . 12040 1 435 . 1 . 1 95 95 LYS CA C 13 58.263 0.005 . 1 . . . . . 95 Lys CA . 12040 1 436 . 1 . 1 95 95 LYS CB C 13 30.858 0.001 . 1 . . . . . 95 Lys CB . 12040 1 437 . 1 . 1 95 95 LYS N N 15 117.995 0.029 . 1 . . . . . 95 Lys N . 12040 1 438 . 1 . 1 96 96 LEU H H 1 7.911 0.004 . 1 . . . . . 96 Leu H . 12040 1 439 . 1 . 1 96 96 LEU C C 13 177.362 0.017 . 1 . . . . . 96 Leu C . 12040 1 440 . 1 . 1 96 96 LEU CA C 13 56.417 0.023 . 1 . . . . . 96 Leu CA . 12040 1 441 . 1 . 1 96 96 LEU CB C 13 40.964 0.018 . 1 . . . . . 96 Leu CB . 12040 1 442 . 1 . 1 96 96 LEU N N 15 117.263 0.028 . 1 . . . . . 96 Leu N . 12040 1 443 . 1 . 1 97 97 SER H H 1 8.289 0.007 . 1 . . . . . 97 Ser H . 12040 1 444 . 1 . 1 97 97 SER C C 13 175.165 0.036 . 1 . . . . . 97 Ser C . 12040 1 445 . 1 . 1 97 97 SER CA C 13 59.295 0.000 . 1 . . . . . 97 Ser CA . 12040 1 446 . 1 . 1 97 97 SER CB C 13 63.816 0.008 . 1 . . . . . 97 Ser CB . 12040 1 447 . 1 . 1 97 97 SER N N 15 111.262 0.057 . 1 . . . . . 97 Ser N . 12040 1 448 . 1 . 1 98 98 GLU H H 1 7.139 0.016 . 1 . . . . . 98 Glu H . 12040 1 449 . 1 . 1 98 98 GLU C C 13 177.039 0.007 . 1 . . . . . 98 Glu C . 12040 1 450 . 1 . 1 98 98 GLU CA C 13 54.737 0.008 . 1 . . . . . 98 Glu CA . 12040 1 451 . 1 . 1 98 98 GLU CB C 13 29.254 0.006 . 1 . . . . . 98 Glu CB . 12040 1 452 . 1 . 1 98 98 GLU N N 15 119.443 0.139 . 1 . . . . . 98 Glu N . 12040 1 453 . 1 . 1 99 99 SER H H 1 8.589 0.004 . 1 . . . . . 99 Ser H . 12040 1 454 . 1 . 1 99 99 SER C C 13 174.809 0.000 . 1 . . . . . 99 Ser C . 12040 1 455 . 1 . 1 99 99 SER CA C 13 57.178 0.000 . 1 . . . . . 99 Ser CA . 12040 1 456 . 1 . 1 99 99 SER CB C 13 63.937 0.000 . 1 . . . . . 99 Ser CB . 12040 1 457 . 1 . 1 99 99 SER N N 15 116.636 0.015 . 1 . . . . . 99 Ser N . 12040 1 458 . 1 . 1 101 101 LYS H H 1 8.623 0.004 . 1 . . . . . 101 Lys H . 12040 1 459 . 1 . 1 101 101 LYS C C 13 175.545 0.070 . 1 . . . . . 101 Lys C . 12040 1 460 . 1 . 1 101 101 LYS CA C 13 54.866 0.027 . 1 . . . . . 101 Lys CA . 12040 1 461 . 1 . 1 101 101 LYS CB C 13 32.442 0.014 . 1 . . . . . 101 Lys CB . 12040 1 462 . 1 . 1 101 101 LYS N N 15 118.282 0.024 . 1 . . . . . 101 Lys N . 12040 1 463 . 1 . 1 102 102 LYS H H 1 7.020 0.005 . 1 . . . . . 102 Lys H . 12040 1 464 . 1 . 1 102 102 LYS C C 13 177.195 0.035 . 1 . . . . . 102 Lys C . 12040 1 465 . 1 . 1 102 102 LYS CA C 13 60.082 0.015 . 1 . . . . . 102 Lys CA . 12040 1 466 . 1 . 1 102 102 LYS CB C 13 32.936 0.059 . 1 . . . . . 102 Lys CB . 12040 1 467 . 1 . 1 102 102 LYS N N 15 121.037 0.009 . 1 . . . . . 102 Lys N . 12040 1 468 . 1 . 1 103 103 SER H H 1 8.882 0.003 . 1 . . . . . 103 Ser H . 12040 1 469 . 1 . 1 103 103 SER C C 13 177.429 0.154 . 1 . . . . . 103 Ser C . 12040 1 470 . 1 . 1 103 103 SER CA C 13 63.167 0.000 . 1 . . . . . 103 Ser CA . 12040 1 471 . 1 . 1 103 103 SER CB C 13 61.429 0.017 . 1 . . . . . 103 Ser CB . 12040 1 472 . 1 . 1 103 103 SER N N 15 115.080 0.018 . 1 . . . . . 103 Ser N . 12040 1 473 . 1 . 1 104 104 LYS H H 1 8.378 0.008 . 1 . . . . . 104 Lys H . 12040 1 474 . 1 . 1 104 104 LYS C C 13 177.579 0.000 . 1 . . . . . 104 Lys C . 12040 1 475 . 1 . 1 104 104 LYS CA C 13 59.982 0.038 . 1 . . . . . 104 Lys CA . 12040 1 476 . 1 . 1 104 104 LYS CB C 13 30.306 0.021 . 1 . . . . . 104 Lys CB . 12040 1 477 . 1 . 1 104 104 LYS N N 15 122.504 0.086 . 1 . . . . . 104 Lys N . 12040 1 478 . 1 . 1 105 105 LEU H H 1 8.737 0.003 . 1 . . . . . 105 Leu H . 12040 1 479 . 1 . 1 105 105 LEU C C 13 178.975 0.000 . 1 . . . . . 105 Leu C . 12040 1 480 . 1 . 1 105 105 LEU CA C 13 58.846 0.010 . 1 . . . . . 105 Leu CA . 12040 1 481 . 1 . 1 105 105 LEU CB C 13 40.520 0.014 . 1 . . . . . 105 Leu CB . 12040 1 482 . 1 . 1 105 105 LEU N N 15 118.649 0.031 . 1 . . . . . 105 Leu N . 12040 1 483 . 1 . 1 106 106 ILE H H 1 8.972 0.003 . 1 . . . . . 106 Ile H . 12040 1 484 . 1 . 1 106 106 ILE C C 13 177.782 0.034 . 1 . . . . . 106 Ile C . 12040 1 485 . 1 . 1 106 106 ILE CA C 13 65.635 0.012 . 1 . . . . . 106 Ile CA . 12040 1 486 . 1 . 1 106 106 ILE CB C 13 37.144 0.018 . 1 . . . . . 106 Ile CB . 12040 1 487 . 1 . 1 106 106 ILE N N 15 117.950 0.012 . 1 . . . . . 106 Ile N . 12040 1 488 . 1 . 1 107 107 SER H H 1 8.272 0.004 . 1 . . . . . 107 Ser H . 12040 1 489 . 1 . 1 107 107 SER C C 13 178.021 0.000 . 1 . . . . . 107 Ser C . 12040 1 490 . 1 . 1 107 107 SER CA C 13 62.611 0.000 . 1 . . . . . 107 Ser CA . 12040 1 491 . 1 . 1 107 107 SER CB C 13 59.966 0.000 . 1 . . . . . 107 Ser CB . 12040 1 492 . 1 . 1 107 107 SER N N 15 115.565 0.086 . 1 . . . . . 107 Ser N . 12040 1 493 . 1 . 1 112 112 ASN H H 1 8.312 0.022 . 1 . . . . . 112 Asn H . 12040 1 494 . 1 . 1 112 112 ASN C C 13 178.535 0.000 . 1 . . . . . 112 Asn C . 12040 1 495 . 1 . 1 112 112 ASN CA C 13 56.272 0.021 . 1 . . . . . 112 Asn CA . 12040 1 496 . 1 . 1 112 112 ASN CB C 13 37.934 0.004 . 1 . . . . . 112 Asn CB . 12040 1 497 . 1 . 1 112 112 ASN N N 15 119.441 0.170 . 1 . . . . . 112 Asn N . 12040 1 498 . 1 . 1 113 113 LEU H H 1 7.696 0.013 . 1 . . . . . 113 Leu H . 12040 1 499 . 1 . 1 113 113 LEU C C 13 179.919 0.000 . 1 . . . . . 113 Leu C . 12040 1 500 . 1 . 1 113 113 LEU CA C 13 57.707 0.013 . 1 . . . . . 113 Leu CA . 12040 1 501 . 1 . 1 113 113 LEU CB C 13 41.091 0.075 . 1 . . . . . 113 Leu CB . 12040 1 502 . 1 . 1 113 113 LEU N N 15 119.365 0.137 . 1 . . . . . 113 Leu N . 12040 1 503 . 1 . 1 114 114 LEU H H 1 8.110 0.012 . 1 . . . . . 114 Leu H . 12040 1 504 . 1 . 1 114 114 LEU C C 13 180.494 0.003 . 1 . . . . . 114 Leu C . 12040 1 505 . 1 . 1 114 114 LEU CA C 13 57.423 0.005 . 1 . . . . . 114 Leu CA . 12040 1 506 . 1 . 1 114 114 LEU CB C 13 37.758 0.172 . 1 . . . . . 114 Leu CB . 12040 1 507 . 1 . 1 114 114 LEU N N 15 120.372 0.202 . 1 . . . . . 114 Leu N . 12040 1 508 . 1 . 1 115 115 SER H H 1 8.486 0.010 . 1 . . . . . 115 Ser H . 12040 1 509 . 1 . 1 115 115 SER C C 13 173.671 0.000 . 1 . . . . . 115 Ser C . 12040 1 510 . 1 . 1 115 115 SER CA C 13 61.271 0.039 . 1 . . . . . 115 Ser CA . 12040 1 511 . 1 . 1 115 115 SER CB C 13 62.152 0.018 . 1 . . . . . 115 Ser CB . 12040 1 512 . 1 . 1 115 115 SER N N 15 116.477 0.029 . 1 . . . . . 115 Ser N . 12040 1 513 . 1 . 1 116 116 GLN H H 1 7.136 0.022 . 1 . . . . . 116 Gln H . 12040 1 514 . 1 . 1 116 116 GLN C C 13 175.805 0.024 . 1 . . . . . 116 Gln C . 12040 1 515 . 1 . 1 116 116 GLN CA C 13 54.817 0.000 . 1 . . . . . 116 Gln CA . 12040 1 516 . 1 . 1 116 116 GLN CB C 13 27.783 0.071 . 1 . . . . . 116 Gln CB . 12040 1 517 . 1 . 1 116 116 GLN N N 15 119.000 0.155 . 1 . . . . . 116 Gln N . 12040 1 518 . 1 . 1 117 117 ASN H H 1 8.179 0.008 . 1 . . . . . 117 Asn H . 12040 1 519 . 1 . 1 117 117 ASN C C 13 174.576 0.029 . 1 . . . . . 117 Asn C . 12040 1 520 . 1 . 1 117 117 ASN CA C 13 54.069 0.175 . 1 . . . . . 117 Asn CA . 12040 1 521 . 1 . 1 117 117 ASN CB C 13 36.909 0.030 . 1 . . . . . 117 Asn CB . 12040 1 522 . 1 . 1 117 117 ASN N N 15 116.464 0.172 . 1 . . . . . 117 Asn N . 12040 1 523 . 1 . 1 118 118 ASN H H 1 8.225 0.032 . 1 . . . . . 118 Asn H . 12040 1 524 . 1 . 1 118 118 ASN C C 13 175.910 0.039 . 1 . . . . . 118 Asn C . 12040 1 525 . 1 . 1 118 118 ASN CA C 13 50.374 0.017 . 1 . . . . . 118 Asn CA . 12040 1 526 . 1 . 1 118 118 ASN CB C 13 35.971 0.002 . 1 . . . . . 118 Asn CB . 12040 1 527 . 1 . 1 118 118 ASN N N 15 118.088 0.187 . 1 . . . . . 118 Asn N . 12040 1 528 . 1 . 1 119 119 THR H H 1 7.935 0.017 . 1 . . . . . 119 Thr H . 12040 1 529 . 1 . 1 119 119 THR C C 13 177.215 0.031 . 1 . . . . . 119 Thr C . 12040 1 530 . 1 . 1 119 119 THR CA C 13 64.650 0.000 . 1 . . . . . 119 Thr CA . 12040 1 531 . 1 . 1 119 119 THR CB C 13 67.764 0.000 . 1 . . . . . 119 Thr CB . 12040 1 532 . 1 . 1 119 119 THR N N 15 115.257 0.154 . 1 . . . . . 119 Thr N . 12040 1 533 . 1 . 1 120 120 THR H H 1 8.675 0.020 . 1 . . . . . 120 Thr H . 12040 1 534 . 1 . 1 120 120 THR C C 13 177.091 0.100 . 1 . . . . . 120 Thr C . 12040 1 535 . 1 . 1 120 120 THR CA C 13 65.894 0.031 . 1 . . . . . 120 Thr CA . 12040 1 536 . 1 . 1 120 120 THR CB C 13 67.607 0.029 . 1 . . . . . 120 Thr CB . 12040 1 537 . 1 . 1 120 120 THR N N 15 119.109 0.176 . 1 . . . . . 120 Thr N . 12040 1 538 . 1 . 1 121 121 LYS H H 1 7.539 0.004 . 1 . . . . . 121 Lys H . 12040 1 539 . 1 . 1 121 121 LYS C C 13 177.853 0.013 . 1 . . . . . 121 Lys C . 12040 1 540 . 1 . 1 121 121 LYS CA C 13 58.149 0.048 . 1 . . . . . 121 Lys CA . 12040 1 541 . 1 . 1 121 121 LYS CB C 13 32.331 0.002 . 1 . . . . . 121 Lys CB . 12040 1 542 . 1 . 1 121 121 LYS N N 15 123.700 0.016 . 1 . . . . . 121 Lys N . 12040 1 543 . 1 . 1 122 122 PHE H H 1 8.183 0.008 . 1 . . . . . 122 Phe H . 12040 1 544 . 1 . 1 122 122 PHE C C 13 176.437 0.000 . 1 . . . . . 122 Phe C . 12040 1 545 . 1 . 1 122 122 PHE CA C 13 61.638 0.002 . 1 . . . . . 122 Phe CA . 12040 1 546 . 1 . 1 122 122 PHE CB C 13 38.458 0.000 . 1 . . . . . 122 Phe CB . 12040 1 547 . 1 . 1 122 122 PHE N N 15 119.172 0.028 . 1 . . . . . 122 Phe N . 12040 1 548 . 1 . 1 123 123 HIS H H 1 8.321 0.004 . 1 . . . . . 123 His H . 12040 1 549 . 1 . 1 123 123 HIS C C 13 177.753 0.015 . 1 . . . . . 123 His C . 12040 1 550 . 1 . 1 123 123 HIS CA C 13 60.007 0.000 . 1 . . . . . 123 His CA . 12040 1 551 . 1 . 1 123 123 HIS CB C 13 27.768 0.024 . 1 . . . . . 123 His CB . 12040 1 552 . 1 . 1 123 123 HIS N N 15 114.817 0.038 . 1 . . . . . 123 His N . 12040 1 553 . 1 . 1 124 124 SER H H 1 8.343 0.009 . 1 . . . . . 124 Ser H . 12040 1 554 . 1 . 1 124 124 SER C C 13 177.925 0.085 . 1 . . . . . 124 Ser C . 12040 1 555 . 1 . 1 124 124 SER CA C 13 61.431 0.041 . 1 . . . . . 124 Ser CA . 12040 1 556 . 1 . 1 124 124 SER CB C 13 62.216 0.114 . 1 . . . . . 124 Ser CB . 12040 1 557 . 1 . 1 124 124 SER N N 15 117.689 0.057 . 1 . . . . . 124 Ser N . 12040 1 558 . 1 . 1 125 125 GLU H H 1 8.708 0.003 . 1 . . . . . 125 Glu H . 12040 1 559 . 1 . 1 125 125 GLU C C 13 179.267 0.047 . 1 . . . . . 125 Glu C . 12040 1 560 . 1 . 1 125 125 GLU CA C 13 57.828 0.070 . 1 . . . . . 125 Glu CA . 12040 1 561 . 1 . 1 125 125 GLU CB C 13 27.775 0.049 . 1 . . . . . 125 Glu CB . 12040 1 562 . 1 . 1 125 125 GLU N N 15 123.552 0.012 . 1 . . . . . 125 Glu N . 12040 1 563 . 1 . 1 126 126 LEU H H 1 8.285 0.031 . 1 . . . . . 126 Leu H . 12040 1 564 . 1 . 1 126 126 LEU C C 13 178.835 0.189 . 1 . . . . . 126 Leu C . 12040 1 565 . 1 . 1 126 126 LEU CA C 13 58.348 0.000 . 1 . . . . . 126 Leu CA . 12040 1 566 . 1 . 1 126 126 LEU CB C 13 40.411 0.000 . 1 . . . . . 126 Leu CB . 12040 1 567 . 1 . 1 126 126 LEU N N 15 120.480 0.203 . 1 . . . . . 126 Leu N . 12040 1 568 . 1 . 1 127 127 GLN H H 1 7.564 0.008 . 1 . . . . . 127 Gln H . 12040 1 569 . 1 . 1 127 127 GLN C C 13 178.626 0.000 . 1 . . . . . 127 Gln C . 12040 1 570 . 1 . 1 127 127 GLN CA C 13 58.380 0.000 . 1 . . . . . 127 Gln CA . 12040 1 571 . 1 . 1 127 127 GLN CB C 13 27.468 0.007 . 1 . . . . . 127 Gln CB . 12040 1 572 . 1 . 1 127 127 GLN N N 15 116.847 0.167 . 1 . . . . . 127 Gln N . 12040 1 573 . 1 . 1 128 128 TYR H H 1 7.585 0.023 . 1 . . . . . 128 Tyr H . 12040 1 574 . 1 . 1 128 128 TYR C C 13 178.351 0.175 . 1 . . . . . 128 Tyr C . 12040 1 575 . 1 . 1 128 128 TYR CA C 13 60.917 0.020 . 1 . . . . . 128 Tyr CA . 12040 1 576 . 1 . 1 128 128 TYR CB C 13 37.240 0.002 . 1 . . . . . 128 Tyr CB . 12040 1 577 . 1 . 1 128 128 TYR N N 15 120.813 0.168 . 1 . . . . . 128 Tyr N . 12040 1 578 . 1 . 1 129 129 LEU H H 1 8.798 0.004 . 1 . . . . . 129 Leu H . 12040 1 579 . 1 . 1 129 129 LEU C C 13 178.501 0.000 . 1 . . . . . 129 Leu C . 12040 1 580 . 1 . 1 129 129 LEU CA C 13 57.537 0.050 . 1 . . . . . 129 Leu CA . 12040 1 581 . 1 . 1 129 129 LEU CB C 13 41.032 0.036 . 1 . . . . . 129 Leu CB . 12040 1 582 . 1 . 1 129 129 LEU N N 15 120.117 0.020 . 1 . . . . . 129 Leu N . 12040 1 583 . 1 . 1 130 130 ASP H H 1 8.338 0.008 . 1 . . . . . 130 Asp H . 12040 1 584 . 1 . 1 130 130 ASP C C 13 178.799 0.143 . 1 . . . . . 130 Asp C . 12040 1 585 . 1 . 1 130 130 ASP CA C 13 57.603 0.000 . 1 . . . . . 130 Asp CA . 12040 1 586 . 1 . 1 130 130 ASP CB C 13 40.517 0.000 . 1 . . . . . 130 Asp CB . 12040 1 587 . 1 . 1 130 130 ASP N N 15 118.635 0.060 . 1 . . . . . 130 Asp N . 12040 1 588 . 1 . 1 131 131 LYS H H 1 7.175 0.010 . 1 . . . . . 131 Lys H . 12040 1 589 . 1 . 1 131 131 LYS C C 13 177.184 0.030 . 1 . . . . . 131 Lys C . 12040 1 590 . 1 . 1 131 131 LYS CA C 13 56.496 0.026 . 1 . . . . . 131 Lys CA . 12040 1 591 . 1 . 1 131 131 LYS CB C 13 31.106 0.015 . 1 . . . . . 131 Lys CB . 12040 1 592 . 1 . 1 131 131 LYS N N 15 113.594 0.129 . 1 . . . . . 131 Lys N . 12040 1 593 . 1 . 1 132 132 HIS H H 1 7.526 0.014 . 1 . . . . . 132 His H . 12040 1 594 . 1 . 1 132 132 HIS C C 13 177.266 0.000 . 1 . . . . . 132 His C . 12040 1 595 . 1 . 1 132 132 HIS CA C 13 57.388 0.070 . 1 . . . . . 132 His CA . 12040 1 596 . 1 . 1 132 132 HIS CB C 13 32.057 0.012 . 1 . . . . . 132 His CB . 12040 1 597 . 1 . 1 132 132 HIS N N 15 115.661 0.259 . 1 . . . . . 132 His N . 12040 1 598 . 1 . 1 133 133 ILE H H 1 8.363 0.028 . 1 . . . . . 133 Ile H . 12040 1 599 . 1 . 1 133 133 ILE C C 13 174.607 0.019 . 1 . . . . . 133 Ile C . 12040 1 600 . 1 . 1 133 133 ILE CA C 13 60.156 0.000 . 1 . . . . . 133 Ile CA . 12040 1 601 . 1 . 1 133 133 ILE CB C 13 38.431 0.001 . 1 . . . . . 133 Ile CB . 12040 1 602 . 1 . 1 133 133 ILE N N 15 122.324 0.280 . 1 . . . . . 133 Ile N . 12040 1 603 . 1 . 1 134 134 LYS H H 1 8.353 0.018 . 1 . . . . . 134 Lys H . 12040 1 604 . 1 . 1 134 134 LYS C C 13 176.327 0.034 . 1 . . . . . 134 Lys C . 12040 1 605 . 1 . 1 134 134 LYS CA C 13 56.033 0.013 . 1 . . . . . 134 Lys CA . 12040 1 606 . 1 . 1 134 134 LYS CB C 13 31.650 0.007 . 1 . . . . . 134 Lys CB . 12040 1 607 . 1 . 1 134 134 LYS N N 15 124.694 0.145 . 1 . . . . . 134 Lys N . 12040 1 608 . 1 . 1 135 135 ASN H H 1 8.659 0.013 . 1 . . . . . 135 Asn H . 12040 1 609 . 1 . 1 135 135 ASN C C 13 176.252 0.049 . 1 . . . . . 135 Asn C . 12040 1 610 . 1 . 1 135 135 ASN CA C 13 53.249 0.009 . 1 . . . . . 135 Asn CA . 12040 1 611 . 1 . 1 135 135 ASN CB C 13 36.807 0.003 . 1 . . . . . 135 Asn CB . 12040 1 612 . 1 . 1 135 135 ASN N N 15 118.180 0.116 . 1 . . . . . 135 Asn N . 12040 1 613 . 1 . 1 136 136 LEU H H 1 8.237 0.017 . 1 . . . . . 136 Leu H . 12040 1 614 . 1 . 1 136 136 LEU C C 13 177.728 0.000 . 1 . . . . . 136 Leu C . 12040 1 615 . 1 . 1 136 136 LEU CA C 13 58.663 0.027 . 1 . . . . . 136 Leu CA . 12040 1 616 . 1 . 1 136 136 LEU CB C 13 41.392 0.006 . 1 . . . . . 136 Leu CB . 12040 1 617 . 1 . 1 136 136 LEU N N 15 121.472 0.175 . 1 . . . . . 136 Leu N . 12040 1 618 . 1 . 1 137 137 GLU H H 1 8.425 0.011 . 1 . . . . . 137 Glu H . 12040 1 619 . 1 . 1 137 137 GLU C C 13 176.260 0.052 . 1 . . . . . 137 Glu C . 12040 1 620 . 1 . 1 137 137 GLU CA C 13 57.784 0.000 . 1 . . . . . 137 Glu CA . 12040 1 621 . 1 . 1 137 137 GLU CB C 13 28.287 0.002 . 1 . . . . . 137 Glu CB . 12040 1 622 . 1 . 1 137 137 GLU N N 15 112.786 0.253 . 1 . . . . . 137 Glu N . 12040 1 623 . 1 . 1 138 138 ASP H H 1 7.645 0.004 . 1 . . . . . 138 Asp H . 12040 1 624 . 1 . 1 138 138 ASP C C 13 176.039 0.135 . 1 . . . . . 138 Asp C . 12040 1 625 . 1 . 1 138 138 ASP CA C 13 54.286 0.000 . 1 . . . . . 138 Asp CA . 12040 1 626 . 1 . 1 138 138 ASP CB C 13 40.629 0.000 . 1 . . . . . 138 Asp CB . 12040 1 627 . 1 . 1 138 138 ASP N N 15 117.043 0.035 . 1 . . . . . 138 Asp N . 12040 1 628 . 1 . 1 139 139 ASP H H 1 7.575 0.006 . 1 . . . . . 139 Asp H . 12040 1 629 . 1 . 1 139 139 ASP C C 13 177.089 0.000 . 1 . . . . . 139 Asp C . 12040 1 630 . 1 . 1 139 139 ASP CA C 13 53.835 0.057 . 1 . . . . . 139 Asp CA . 12040 1 631 . 1 . 1 139 139 ASP CB C 13 42.662 0.013 . 1 . . . . . 139 Asp CB . 12040 1 632 . 1 . 1 139 139 ASP N N 15 122.192 0.058 . 1 . . . . . 139 Asp N . 12040 1 633 . 1 . 1 140 140 SER H H 1 8.989 0.002 . 1 . . . . . 140 Ser H . 12040 1 634 . 1 . 1 140 140 SER C C 13 178.134 0.000 . 1 . . . . . 140 Ser C . 12040 1 635 . 1 . 1 140 140 SER CA C 13 61.275 0.000 . 1 . . . . . 140 Ser CA . 12040 1 636 . 1 . 1 140 140 SER CB C 13 62.568 0.019 . 1 . . . . . 140 Ser CB . 12040 1 637 . 1 . 1 140 140 SER N N 15 123.091 0.034 . 1 . . . . . 140 Ser N . 12040 1 638 . 1 . 1 141 141 LEU H H 1 8.378 0.015 . 1 . . . . . 141 Leu H . 12040 1 639 . 1 . 1 141 141 LEU C C 13 179.204 0.000 . 1 . . . . . 141 Leu C . 12040 1 640 . 1 . 1 141 141 LEU CA C 13 57.156 0.000 . 1 . . . . . 141 Leu CA . 12040 1 641 . 1 . 1 141 141 LEU CB C 13 40.555 0.000 . 1 . . . . . 141 Leu CB . 12040 1 642 . 1 . 1 141 141 LEU N N 15 121.825 0.137 . 1 . . . . . 141 Leu N . 12040 1 643 . 1 . 1 142 142 LEU H H 1 8.416 0.015 . 1 . . . . . 142 Leu H . 12040 1 644 . 1 . 1 142 142 LEU C C 13 177.341 0.000 . 1 . . . . . 142 Leu C . 12040 1 645 . 1 . 1 142 142 LEU CA C 13 57.335 0.000 . 1 . . . . . 142 Leu CA . 12040 1 646 . 1 . 1 142 142 LEU CB C 13 40.435 0.076 . 1 . . . . . 142 Leu CB . 12040 1 647 . 1 . 1 142 142 LEU N N 15 120.872 0.390 . 1 . . . . . 142 Leu N . 12040 1 648 . 1 . 1 143 143 SER H H 1 8.060 0.008 . 1 . . . . . 143 Ser H . 12040 1 649 . 1 . 1 143 143 SER C C 13 175.035 0.030 . 1 . . . . . 143 Ser C . 12040 1 650 . 1 . 1 143 143 SER CA C 13 60.747 0.054 . 1 . . . . . 143 Ser CA . 12040 1 651 . 1 . 1 143 143 SER CB C 13 63.130 0.104 . 1 . . . . . 143 Ser CB . 12040 1 652 . 1 . 1 143 143 SER N N 15 108.334 0.057 . 1 . . . . . 143 Ser N . 12040 1 653 . 1 . 1 144 144 TYR H H 1 7.277 0.011 . 1 . . . . . 144 Tyr H . 12040 1 654 . 1 . 1 144 144 TYR C C 13 177.265 0.000 . 1 . . . . . 144 Tyr C . 12040 1 655 . 1 . 1 144 144 TYR CA C 13 61.370 0.000 . 1 . . . . . 144 Tyr CA . 12040 1 656 . 1 . 1 144 144 TYR CB C 13 37.154 0.000 . 1 . . . . . 144 Tyr CB . 12040 1 657 . 1 . 1 144 144 TYR N N 15 120.507 0.016 . 1 . . . . . 144 Tyr N . 12040 1 658 . 1 . 1 145 145 PRO C C 13 177.360 0.000 . 1 . . . . . 145 Pro C . 12040 1 659 . 1 . 1 145 145 PRO CA C 13 64.889 0.000 . 1 . . . . . 145 Pro CA . 12040 1 660 . 1 . 1 145 145 PRO CB C 13 29.672 0.000 . 1 . . . . . 145 Pro CB . 12040 1 661 . 1 . 1 146 146 ILE H H 1 6.872 0.022 . 1 . . . . . 146 Ile H . 12040 1 662 . 1 . 1 146 146 ILE C C 13 178.528 0.064 . 1 . . . . . 146 Ile C . 12040 1 663 . 1 . 1 146 146 ILE CA C 13 65.622 0.016 . 1 . . . . . 146 Ile CA . 12040 1 664 . 1 . 1 146 146 ILE CB C 13 37.272 0.000 . 1 . . . . . 146 Ile CB . 12040 1 665 . 1 . 1 146 146 ILE N N 15 116.049 0.070 . 1 . . . . . 146 Ile N . 12040 1 666 . 1 . 1 147 147 LYS H H 1 8.463 0.007 . 1 . . . . . 147 Lys H . 12040 1 667 . 1 . 1 147 147 LYS C C 13 177.380 0.083 . 1 . . . . . 147 Lys C . 12040 1 668 . 1 . 1 147 147 LYS CA C 13 59.047 0.052 . 1 . . . . . 147 Lys CA . 12040 1 669 . 1 . 1 147 147 LYS CB C 13 30.624 0.009 . 1 . . . . . 147 Lys CB . 12040 1 670 . 1 . 1 147 147 LYS N N 15 120.807 0.032 . 1 . . . . . 147 Lys N . 12040 1 671 . 1 . 1 148 148 LEU H H 1 7.477 0.015 . 1 . . . . . 148 Leu H . 12040 1 672 . 1 . 1 148 148 LEU C C 13 177.719 0.000 . 1 . . . . . 148 Leu C . 12040 1 673 . 1 . 1 148 148 LEU CA C 13 58.298 0.025 . 1 . . . . . 148 Leu CA . 12040 1 674 . 1 . 1 148 148 LEU CB C 13 40.992 0.026 . 1 . . . . . 148 Leu CB . 12040 1 675 . 1 . 1 148 148 LEU N N 15 117.551 0.099 . 1 . . . . . 148 Leu N . 12040 1 676 . 1 . 1 149 149 ASP H H 1 7.691 0.002 . 1 . . . . . 149 Asp H . 12040 1 677 . 1 . 1 149 149 ASP C C 13 176.916 0.000 . 1 . . . . . 149 Asp C . 12040 1 678 . 1 . 1 149 149 ASP CA C 13 57.048 0.000 . 1 . . . . . 149 Asp CA . 12040 1 679 . 1 . 1 149 149 ASP CB C 13 42.693 0.004 . 1 . . . . . 149 Asp CB . 12040 1 680 . 1 . 1 149 149 ASP N N 15 115.830 0.025 . 1 . . . . . 149 Asp N . 12040 1 681 . 1 . 1 150 150 ARG H H 1 7.664 0.013 . 1 . . . . . 150 Arg H . 12040 1 682 . 1 . 1 150 150 ARG C C 13 179.522 0.000 . 1 . . . . . 150 Arg C . 12040 1 683 . 1 . 1 150 150 ARG CA C 13 59.190 0.047 . 1 . . . . . 150 Arg CA . 12040 1 684 . 1 . 1 150 150 ARG CB C 13 28.732 0.013 . 1 . . . . . 150 Arg CB . 12040 1 685 . 1 . 1 150 150 ARG N N 15 118.549 0.202 . 1 . . . . . 150 Arg N . 12040 1 686 . 1 . 1 151 151 TRP H H 1 8.425 0.004 . 1 . . . . . 151 Trp H . 12040 1 687 . 1 . 1 151 151 TRP C C 13 179.214 0.081 . 1 . . . . . 151 Trp C . 12040 1 688 . 1 . 1 151 151 TRP CA C 13 58.302 0.054 . 1 . . . . . 151 Trp CA . 12040 1 689 . 1 . 1 151 151 TRP CB C 13 28.159 0.024 . 1 . . . . . 151 Trp CB . 12040 1 690 . 1 . 1 151 151 TRP N N 15 118.569 0.094 . 1 . . . . . 151 Trp N . 12040 1 691 . 1 . 1 152 152 LEU H H 1 8.682 0.002 . 1 . . . . . 152 Leu H . 12040 1 692 . 1 . 1 152 152 LEU C C 13 176.968 0.000 . 1 . . . . . 152 Leu C . 12040 1 693 . 1 . 1 152 152 LEU CA C 13 58.136 0.000 . 1 . . . . . 152 Leu CA . 12040 1 694 . 1 . 1 152 152 LEU CB C 13 39.881 0.025 . 1 . . . . . 152 Leu CB . 12040 1 695 . 1 . 1 152 152 LEU N N 15 120.700 0.032 . 1 . . . . . 152 Leu N . 12040 1 696 . 1 . 1 153 153 MET H H 1 8.599 0.015 . 1 . . . . . 153 Met H . 12040 1 697 . 1 . 1 153 153 MET C C 13 178.546 0.049 . 1 . . . . . 153 Met C . 12040 1 698 . 1 . 1 153 153 MET CA C 13 57.620 0.073 . 1 . . . . . 153 Met CA . 12040 1 699 . 1 . 1 153 153 MET CB C 13 31.088 0.057 . 1 . . . . . 153 Met CB . 12040 1 700 . 1 . 1 153 153 MET N N 15 119.532 0.129 . 1 . . . . . 153 Met N . 12040 1 701 . 1 . 1 154 154 GLU H H 1 7.665 0.007 . 1 . . . . . 154 Glu H . 12040 1 702 . 1 . 1 154 154 GLU C C 13 176.676 0.022 . 1 . . . . . 154 Glu C . 12040 1 703 . 1 . 1 154 154 GLU CA C 13 55.456 0.010 . 1 . . . . . 154 Glu CA . 12040 1 704 . 1 . 1 154 154 GLU CB C 13 29.435 0.002 . 1 . . . . . 154 Glu CB . 12040 1 705 . 1 . 1 154 154 GLU N N 15 115.167 0.036 . 1 . . . . . 154 Glu N . 12040 1 706 . 1 . 1 155 155 GLY H H 1 7.666 0.005 . 1 . . . . . 155 Gly H . 12040 1 707 . 1 . 1 155 155 GLY C C 13 176.822 0.000 . 1 . . . . . 155 Gly C . 12040 1 708 . 1 . 1 155 155 GLY CA C 13 44.702 0.013 . 1 . . . . . 155 Gly CA . 12040 1 709 . 1 . 1 155 155 GLY N N 15 108.528 0.038 . 1 . . . . . 155 Gly N . 12040 1 710 . 1 . 1 156 156 SER H H 1 8.531 0.012 . 1 . . . . . 156 Ser H . 12040 1 711 . 1 . 1 156 156 SER C C 13 175.853 0.000 . 1 . . . . . 156 Ser C . 12040 1 712 . 1 . 1 156 156 SER CA C 13 55.199 0.077 . 1 . . . . . 156 Ser CA . 12040 1 713 . 1 . 1 156 156 SER CB C 13 60.707 0.000 . 1 . . . . . 156 Ser CB . 12040 1 714 . 1 . 1 156 156 SER N N 15 120.633 0.009 . 1 . . . . . 156 Ser N . 12040 1 715 . 1 . 1 157 157 TYR H H 1 7.257 0.001 . 1 . . . . . 157 Tyr H . 12040 1 716 . 1 . 1 157 157 TYR C C 13 177.168 0.000 . 1 . . . . . 157 Tyr C . 12040 1 717 . 1 . 1 157 157 TYR CA C 13 61.358 0.000 . 1 . . . . . 157 Tyr CA . 12040 1 718 . 1 . 1 157 157 TYR CB C 13 37.131 0.000 . 1 . . . . . 157 Tyr CB . 12040 1 719 . 1 . 1 157 157 TYR N N 15 120.513 0.029 . 1 . . . . . 157 Tyr N . 12040 1 720 . 1 . 1 158 158 GLN H H 1 8.806 0.004 . 1 . . . . . 158 Gln H . 12040 1 721 . 1 . 1 158 158 GLN C C 13 177.585 0.039 . 1 . . . . . 158 Gln C . 12040 1 722 . 1 . 1 158 158 GLN CA C 13 58.545 0.000 . 1 . . . . . 158 Gln CA . 12040 1 723 . 1 . 1 158 158 GLN CB C 13 27.110 0.000 . 1 . . . . . 158 Gln CB . 12040 1 724 . 1 . 1 158 158 GLN N N 15 118.365 0.013 . 1 . . . . . 158 Gln N . 12040 1 725 . 1 . 1 159 159 LYS H H 1 7.209 0.005 . 1 . . . . . 159 Lys H . 12040 1 726 . 1 . 1 159 159 LYS C C 13 179.440 0.053 . 1 . . . . . 159 Lys C . 12040 1 727 . 1 . 1 159 159 LYS CA C 13 58.803 0.032 . 1 . . . . . 159 Lys CA . 12040 1 728 . 1 . 1 159 159 LYS CB C 13 29.684 0.066 . 1 . . . . . 159 Lys CB . 12040 1 729 . 1 . 1 159 159 LYS N N 15 117.756 0.014 . 1 . . . . . 159 Lys N . 12040 1 730 . 1 . 1 160 160 ALA H H 1 7.432 0.006 . 1 . . . . . 160 Ala H . 12040 1 731 . 1 . 1 160 160 ALA C C 13 177.280 0.049 . 1 . . . . . 160 Ala C . 12040 1 732 . 1 . 1 160 160 ALA CA C 13 54.833 0.002 . 1 . . . . . 160 Ala CA . 12040 1 733 . 1 . 1 160 160 ALA CB C 13 17.328 0.018 . 1 . . . . . 160 Ala CB . 12040 1 734 . 1 . 1 160 160 ALA N N 15 120.133 0.116 . 1 . . . . . 160 Ala N . 12040 1 735 . 1 . 1 161 161 TRP H H 1 8.807 0.018 . 1 . . . . . 161 Trp H . 12040 1 736 . 1 . 1 161 161 TRP C C 13 178.676 0.038 . 1 . . . . . 161 Trp C . 12040 1 737 . 1 . 1 161 161 TRP CA C 13 60.402 0.028 . 1 . . . . . 161 Trp CA . 12040 1 738 . 1 . 1 161 161 TRP CB C 13 28.370 0.102 . 1 . . . . . 161 Trp CB . 12040 1 739 . 1 . 1 161 161 TRP N N 15 119.516 0.168 . 1 . . . . . 161 Trp N . 12040 1 740 . 1 . 1 162 162 ASP H H 1 8.411 0.022 . 1 . . . . . 162 Asp H . 12040 1 741 . 1 . 1 162 162 ASP C C 13 179.374 0.021 . 1 . . . . . 162 Asp C . 12040 1 742 . 1 . 1 162 162 ASP CA C 13 56.784 0.000 . 1 . . . . . 162 Asp CA . 12040 1 743 . 1 . 1 162 162 ASP CB C 13 39.654 0.027 . 1 . . . . . 162 Asp CB . 12040 1 744 . 1 . 1 162 162 ASP N N 15 117.123 0.211 . 1 . . . . . 162 Asp N . 12040 1 745 . 1 . 1 163 163 LEU H H 1 7.695 0.021 . 1 . . . . . 163 Leu H . 12040 1 746 . 1 . 1 163 163 LEU C C 13 179.354 0.064 . 1 . . . . . 163 Leu C . 12040 1 747 . 1 . 1 163 163 LEU CA C 13 57.162 0.000 . 1 . . . . . 163 Leu CA . 12040 1 748 . 1 . 1 163 163 LEU CB C 13 40.590 0.059 . 1 . . . . . 163 Leu CB . 12040 1 749 . 1 . 1 163 163 LEU N N 15 122.452 0.166 . 1 . . . . . 163 Leu N . 12040 1 750 . 1 . 1 164 164 LEU H H 1 8.021 0.004 . 1 . . . . . 164 Leu H . 12040 1 751 . 1 . 1 164 164 LEU C C 13 179.041 0.053 . 1 . . . . . 164 Leu C . 12040 1 752 . 1 . 1 164 164 LEU CA C 13 56.741 0.108 . 1 . . . . . 164 Leu CA . 12040 1 753 . 1 . 1 164 164 LEU CB C 13 40.556 0.095 . 1 . . . . . 164 Leu CB . 12040 1 754 . 1 . 1 164 164 LEU N N 15 119.854 0.056 . 1 . . . . . 164 Leu N . 12040 1 755 . 1 . 1 165 165 GLN H H 1 7.800 0.010 . 1 . . . . . 165 Gln H . 12040 1 756 . 1 . 1 165 165 GLN C C 13 177.514 0.044 . 1 . . . . . 165 Gln C . 12040 1 757 . 1 . 1 165 165 GLN CA C 13 56.688 0.020 . 1 . . . . . 165 Gln CA . 12040 1 758 . 1 . 1 165 165 GLN CB C 13 28.224 0.009 . 1 . . . . . 165 Gln CB . 12040 1 759 . 1 . 1 165 165 GLN N N 15 115.855 0.141 . 1 . . . . . 165 Gln N . 12040 1 760 . 1 . 1 166 166 SER H H 1 8.017 0.008 . 1 . . . . . 166 Ser H . 12040 1 761 . 1 . 1 166 166 SER C C 13 176.534 0.014 . 1 . . . . . 166 Ser C . 12040 1 762 . 1 . 1 166 166 SER CA C 13 59.416 0.177 . 1 . . . . . 166 Ser CA . 12040 1 763 . 1 . 1 166 166 SER CB C 13 63.239 0.105 . 1 . . . . . 166 Ser CB . 12040 1 764 . 1 . 1 166 166 SER N N 15 114.282 0.143 . 1 . . . . . 166 Ser N . 12040 1 765 . 1 . 1 167 167 GLY H H 1 8.688 0.004 . 1 . . . . . 167 Gly H . 12040 1 766 . 1 . 1 167 167 GLY C C 13 174.815 0.032 . 1 . . . . . 167 Gly C . 12040 1 767 . 1 . 1 167 167 GLY CA C 13 45.938 0.004 . 1 . . . . . 167 Gly CA . 12040 1 768 . 1 . 1 167 167 GLY N N 15 111.852 0.028 . 1 . . . . . 167 Gly N . 12040 1 769 . 1 . 1 168 168 SER H H 1 7.996 0.011 . 1 . . . . . 168 Ser H . 12040 1 770 . 1 . 1 168 168 SER C C 13 177.732 0.149 . 1 . . . . . 168 Ser C . 12040 1 771 . 1 . 1 168 168 SER CA C 13 59.105 0.000 . 1 . . . . . 168 Ser CA . 12040 1 772 . 1 . 1 168 168 SER CB C 13 63.025 0.019 . 1 . . . . . 168 Ser CB . 12040 1 773 . 1 . 1 168 168 SER N N 15 114.285 0.048 . 1 . . . . . 168 Ser N . 12040 1 774 . 1 . 1 169 169 GLN H H 1 7.933 0.018 . 1 . . . . . 169 Gln H . 12040 1 775 . 1 . 1 169 169 GLN C C 13 176.024 0.000 . 1 . . . . . 169 Gln C . 12040 1 776 . 1 . 1 169 169 GLN CA C 13 56.083 0.036 . 1 . . . . . 169 Gln CA . 12040 1 777 . 1 . 1 169 169 GLN CB C 13 27.663 0.000 . 1 . . . . . 169 Gln CB . 12040 1 778 . 1 . 1 169 169 GLN N N 15 118.671 0.223 . 1 . . . . . 169 Gln N . 12040 1 779 . 1 . 1 170 170 ASN H H 1 8.152 0.006 . 1 . . . . . 170 Asn H . 12040 1 780 . 1 . 1 170 170 ASN C C 13 174.715 0.000 . 1 . . . . . 170 Asn C . 12040 1 781 . 1 . 1 170 170 ASN CA C 13 54.290 0.000 . 1 . . . . . 170 Asn CA . 12040 1 782 . 1 . 1 170 170 ASN CB C 13 38.466 0.011 . 1 . . . . . 170 Asn CB . 12040 1 783 . 1 . 1 170 170 ASN N N 15 116.261 0.159 . 1 . . . . . 170 Asn N . 12040 1 784 . 1 . 1 171 171 ILE H H 1 7.436 0.002 . 1 . . . . . 171 Ile H . 12040 1 785 . 1 . 1 171 171 ILE C C 13 176.610 0.000 . 1 . . . . . 171 Ile C . 12040 1 786 . 1 . 1 171 171 ILE CA C 13 59.395 0.048 . 1 . . . . . 171 Ile CA . 12040 1 787 . 1 . 1 171 171 ILE CB C 13 37.187 0.046 . 1 . . . . . 171 Ile CB . 12040 1 788 . 1 . 1 171 171 ILE N N 15 117.204 0.066 . 1 . . . . . 171 Ile N . 12040 1 789 . 1 . 1 172 172 SER H H 1 8.640 0.003 . 1 . . . . . 172 Ser H . 12040 1 790 . 1 . 1 172 172 SER C C 13 177.361 0.000 . 1 . . . . . 172 Ser C . 12040 1 791 . 1 . 1 172 172 SER CA C 13 61.050 0.000 . 1 . . . . . 172 Ser CA . 12040 1 792 . 1 . 1 172 172 SER CB C 13 62.275 0.002 . 1 . . . . . 172 Ser CB . 12040 1 793 . 1 . 1 172 172 SER N N 15 122.784 0.035 . 1 . . . . . 172 Ser N . 12040 1 794 . 1 . 1 173 173 GLU H H 1 9.931 0.003 . 1 . . . . . 173 Glu H . 12040 1 795 . 1 . 1 173 173 GLU C C 13 178.202 0.003 . 1 . . . . . 173 Glu C . 12040 1 796 . 1 . 1 173 173 GLU CA C 13 60.105 0.016 . 1 . . . . . 173 Glu CA . 12040 1 797 . 1 . 1 173 173 GLU CB C 13 28.413 0.022 . 1 . . . . . 173 Glu CB . 12040 1 798 . 1 . 1 173 173 GLU N N 15 121.350 0.012 . 1 . . . . . 173 Glu N . 12040 1 799 . 1 . 1 174 174 PHE H H 1 7.592 0.025 . 1 . . . . . 174 Phe H . 12040 1 800 . 1 . 1 174 174 PHE C C 13 177.673 0.000 . 1 . . . . . 174 Phe C . 12040 1 801 . 1 . 1 174 174 PHE CA C 13 57.181 0.000 . 1 . . . . . 174 Phe CA . 12040 1 802 . 1 . 1 174 174 PHE CB C 13 36.447 0.014 . 1 . . . . . 174 Phe CB . 12040 1 803 . 1 . 1 174 174 PHE N N 15 115.012 0.151 . 1 . . . . . 174 Phe N . 12040 1 804 . 1 . 1 175 175 ASP H H 1 8.030 0.032 . 1 . . . . . 175 Asp H . 12040 1 805 . 1 . 1 175 175 ASP C C 13 178.215 0.047 . 1 . . . . . 175 Asp C . 12040 1 806 . 1 . 1 175 175 ASP CA C 13 56.335 0.037 . 1 . . . . . 175 Asp CA . 12040 1 807 . 1 . 1 175 175 ASP CB C 13 39.960 0.015 . 1 . . . . . 175 Asp CB . 12040 1 808 . 1 . 1 175 175 ASP N N 15 120.578 0.258 . 1 . . . . . 175 Asp N . 12040 1 809 . 1 . 1 176 176 SER H H 1 7.870 0.009 . 1 . . . . . 176 Ser H . 12040 1 810 . 1 . 1 176 176 SER C C 13 177.540 0.195 . 1 . . . . . 176 Ser C . 12040 1 811 . 1 . 1 176 176 SER CA C 13 61.035 0.000 . 1 . . . . . 176 Ser CA . 12040 1 812 . 1 . 1 176 176 SER CB C 13 62.046 0.038 . 1 . . . . . 176 Ser CB . 12040 1 813 . 1 . 1 176 176 SER N N 15 115.080 0.149 . 1 . . . . . 176 Ser N . 12040 1 814 . 1 . 1 177 177 PHE H H 1 7.665 0.015 . 1 . . . . . 177 Phe H . 12040 1 815 . 1 . 1 177 177 PHE C C 13 178.931 0.000 . 1 . . . . . 177 Phe C . 12040 1 816 . 1 . 1 177 177 PHE CA C 13 58.808 0.018 . 1 . . . . . 177 Phe CA . 12040 1 817 . 1 . 1 177 177 PHE CB C 13 39.929 0.018 . 1 . . . . . 177 Phe CB . 12040 1 818 . 1 . 1 177 177 PHE N N 15 115.746 0.046 . 1 . . . . . 177 Phe N . 12040 1 819 . 1 . 1 178 178 THR H H 1 7.893 0.033 . 1 . . . . . 178 Thr H . 12040 1 820 . 1 . 1 178 178 THR C C 13 175.998 0.148 . 1 . . . . . 178 Thr C . 12040 1 821 . 1 . 1 178 178 THR CA C 13 58.538 0.000 . 1 . . . . . 178 Thr CA . 12040 1 822 . 1 . 1 178 178 THR CB C 13 67.839 0.000 . 1 . . . . . 178 Thr CB . 12040 1 823 . 1 . 1 178 178 THR N N 15 116.763 0.222 . 1 . . . . . 178 Thr N . 12040 1 824 . 1 . 1 179 179 ASP H H 1 8.593 0.006 . 1 . . . . . 179 Asp H . 12040 1 825 . 1 . 1 179 179 ASP C C 13 179.267 0.000 . 1 . . . . . 179 Asp C . 12040 1 826 . 1 . 1 179 179 ASP CA C 13 58.166 0.075 . 1 . . . . . 179 Asp CA . 12040 1 827 . 1 . 1 179 179 ASP CB C 13 39.421 0.004 . 1 . . . . . 179 Asp CB . 12040 1 828 . 1 . 1 179 179 ASP N N 15 120.383 0.220 . 1 . . . . . 179 Asp N . 12040 1 829 . 1 . 1 180 180 ILE H H 1 7.888 0.017 . 1 . . . . . 180 Ile H . 12040 1 830 . 1 . 1 180 180 ILE C C 13 179.175 0.050 . 1 . . . . . 180 Ile C . 12040 1 831 . 1 . 1 180 180 ILE CA C 13 64.293 0.002 . 1 . . . . . 180 Ile CA . 12040 1 832 . 1 . 1 180 180 ILE CB C 13 37.491 0.007 . 1 . . . . . 180 Ile CB . 12040 1 833 . 1 . 1 180 180 ILE N N 15 120.571 0.149 . 1 . . . . . 180 Ile N . 12040 1 834 . 1 . 1 181 181 LEU H H 1 8.374 0.004 . 1 . . . . . 181 Leu H . 12040 1 835 . 1 . 1 181 181 LEU C C 13 178.768 0.000 . 1 . . . . . 181 Leu C . 12040 1 836 . 1 . 1 181 181 LEU CA C 13 57.522 0.066 . 1 . . . . . 181 Leu CA . 12040 1 837 . 1 . 1 181 181 LEU CB C 13 40.977 0.049 . 1 . . . . . 181 Leu CB . 12040 1 838 . 1 . 1 181 181 LEU N N 15 122.729 0.064 . 1 . . . . . 181 Leu N . 12040 1 839 . 1 . 1 182 182 LYS H H 1 8.643 0.003 . 1 . . . . . 182 Lys H . 12040 1 840 . 1 . 1 182 182 LYS C C 13 179.159 0.007 . 1 . . . . . 182 Lys C . 12040 1 841 . 1 . 1 182 182 LYS CA C 13 60.437 0.004 . 1 . . . . . 182 Lys CA . 12040 1 842 . 1 . 1 182 182 LYS CB C 13 32.165 0.010 . 1 . . . . . 182 Lys CB . 12040 1 843 . 1 . 1 182 182 LYS N N 15 119.512 0.022 . 1 . . . . . 182 Lys N . 12040 1 844 . 1 . 1 183 183 SER H H 1 7.766 0.006 . 1 . . . . . 183 Ser H . 12040 1 845 . 1 . 1 183 183 SER C C 13 176.485 0.000 . 1 . . . . . 183 Ser C . 12040 1 846 . 1 . 1 183 183 SER CA C 13 61.363 0.000 . 1 . . . . . 183 Ser CA . 12040 1 847 . 1 . 1 183 183 SER CB C 13 62.332 0.000 . 1 . . . . . 183 Ser CB . 12040 1 848 . 1 . 1 183 183 SER N N 15 113.390 0.107 . 1 . . . . . 183 Ser N . 12040 1 849 . 1 . 1 184 184 ALA H H 1 8.151 0.022 . 1 . . . . . 184 Ala H . 12040 1 850 . 1 . 1 184 184 ALA C C 13 180.952 0.041 . 1 . . . . . 184 Ala C . 12040 1 851 . 1 . 1 184 184 ALA CA C 13 54.896 0.012 . 1 . . . . . 184 Ala CA . 12040 1 852 . 1 . 1 184 184 ALA CB C 13 17.110 0.001 . 1 . . . . . 184 Ala CB . 12040 1 853 . 1 . 1 184 184 ALA N N 15 125.655 0.174 . 1 . . . . . 184 Ala N . 12040 1 854 . 1 . 1 185 185 ILE H H 1 8.654 0.004 . 1 . . . . . 185 Ile H . 12040 1 855 . 1 . 1 185 185 ILE C C 13 177.847 0.000 . 1 . . . . . 185 Ile C . 12040 1 856 . 1 . 1 185 185 ILE CA C 13 65.578 0.000 . 1 . . . . . 185 Ile CA . 12040 1 857 . 1 . 1 185 185 ILE CB C 13 37.438 0.018 . 1 . . . . . 185 Ile CB . 12040 1 858 . 1 . 1 185 185 ILE N N 15 120.020 0.023 . 1 . . . . . 185 Ile N . 12040 1 859 . 1 . 1 186 186 ARG H H 1 8.321 0.006 . 1 . . . . . 186 Arg H . 12040 1 860 . 1 . 1 186 186 ARG C C 13 177.894 0.066 . 1 . . . . . 186 Arg C . 12040 1 861 . 1 . 1 186 186 ARG CA C 13 60.581 0.004 . 1 . . . . . 186 Arg CA . 12040 1 862 . 1 . 1 186 186 ARG CB C 13 28.977 0.009 . 1 . . . . . 186 Arg CB . 12040 1 863 . 1 . 1 186 186 ARG N N 15 117.675 0.067 . 1 . . . . . 186 Arg N . 12040 1 864 . 1 . 1 187 187 ASP H H 1 8.345 0.018 . 1 . . . . . 187 Asp H . 12040 1 865 . 1 . 1 187 187 ASP C C 13 178.226 0.000 . 1 . . . . . 187 Asp C . 12040 1 866 . 1 . 1 187 187 ASP CA C 13 57.686 0.000 . 1 . . . . . 187 Asp CA . 12040 1 867 . 1 . 1 187 187 ASP CB C 13 40.450 0.061 . 1 . . . . . 187 Asp CB . 12040 1 868 . 1 . 1 187 187 ASP N N 15 118.924 0.177 . 1 . . . . . 187 Asp N . 12040 1 869 . 1 . 1 189 189 ILE H H 1 8.303 0.004 . 1 . . . . . 189 Ile H . 12040 1 870 . 1 . 1 189 189 ILE C C 13 180.897 0.000 . 1 . . . . . 189 Ile C . 12040 1 871 . 1 . 1 189 189 ILE CA C 13 64.910 0.005 . 1 . . . . . 189 Ile CA . 12040 1 872 . 1 . 1 189 189 ILE CB C 13 37.493 0.037 . 1 . . . . . 189 Ile CB . 12040 1 873 . 1 . 1 189 189 ILE N N 15 120.484 0.021 . 1 . . . . . 189 Ile N . 12040 1 874 . 1 . 1 190 190 ALA H H 1 9.296 0.016 . 1 . . . . . 190 Ala H . 12040 1 875 . 1 . 1 190 190 ALA C C 13 178.658 0.000 . 1 . . . . . 190 Ala C . 12040 1 876 . 1 . 1 190 190 ALA CA C 13 56.153 0.000 . 1 . . . . . 190 Ala CA . 12040 1 877 . 1 . 1 190 190 ALA CB C 13 17.525 0.000 . 1 . . . . . 190 Ala CB . 12040 1 878 . 1 . 1 190 190 ALA N N 15 126.555 0.123 . 1 . . . . . 190 Ala N . 12040 1 879 . 1 . 1 191 191 LYS H H 1 7.987 0.021 . 1 . . . . . 191 Lys H . 12040 1 880 . 1 . 1 191 191 LYS C C 13 179.373 0.017 . 1 . . . . . 191 Lys C . 12040 1 881 . 1 . 1 191 191 LYS CA C 13 58.177 0.021 . 1 . . . . . 191 Lys CA . 12040 1 882 . 1 . 1 191 191 LYS CB C 13 31.056 0.019 . 1 . . . . . 191 Lys CB . 12040 1 883 . 1 . 1 191 191 LYS N N 15 118.163 0.093 . 1 . . . . . 191 Lys N . 12040 1 884 . 1 . 1 192 192 ASN H H 1 7.542 0.005 . 1 . . . . . 192 Asn H . 12040 1 885 . 1 . 1 192 192 ASN C C 13 177.841 0.034 . 1 . . . . . 192 Asn C . 12040 1 886 . 1 . 1 192 192 ASN CA C 13 64.508 0.004 . 1 . . . . . 192 Asn CA . 12040 1 887 . 1 . 1 192 192 ASN CB C 13 35.855 0.030 . 1 . . . . . 192 Asn CB . 12040 1 888 . 1 . 1 192 192 ASN N N 15 121.593 0.103 . 1 . . . . . 192 Asn N . 12040 1 889 . 1 . 1 193 193 THR H H 1 7.948 0.004 . 1 . . . . . 193 Thr H . 12040 1 890 . 1 . 1 193 193 THR C C 13 176.164 0.000 . 1 . . . . . 193 Thr C . 12040 1 891 . 1 . 1 193 193 THR CA C 13 66.929 0.105 . 1 . . . . . 193 Thr CA . 12040 1 892 . 1 . 1 193 193 THR CB C 13 67.817 0.069 . 1 . . . . . 193 Thr CB . 12040 1 893 . 1 . 1 193 193 THR N N 15 118.783 0.057 . 1 . . . . . 193 Thr N . 12040 1 894 . 1 . 1 194 194 GLU H H 1 8.007 0.005 . 1 . . . . . 194 Glu H . 12040 1 895 . 1 . 1 194 194 GLU C C 13 176.696 0.045 . 1 . . . . . 194 Glu C . 12040 1 896 . 1 . 1 194 194 GLU CA C 13 57.094 0.001 . 1 . . . . . 194 Glu CA . 12040 1 897 . 1 . 1 194 194 GLU CB C 13 27.982 0.012 . 1 . . . . . 194 Glu CB . 12040 1 898 . 1 . 1 194 194 GLU N N 15 118.151 0.067 . 1 . . . . . 194 Glu N . 12040 1 899 . 1 . 1 195 195 LEU H H 1 6.965 0.006 . 1 . . . . . 195 Leu H . 12040 1 900 . 1 . 1 195 195 LEU C C 13 178.932 0.047 . 1 . . . . . 195 Leu C . 12040 1 901 . 1 . 1 195 195 LEU CA C 13 55.149 0.009 . 1 . . . . . 195 Leu CA . 12040 1 902 . 1 . 1 195 195 LEU CB C 13 41.928 0.014 . 1 . . . . . 195 Leu CB . 12040 1 903 . 1 . 1 195 195 LEU N N 15 115.806 0.146 . 1 . . . . . 195 Leu N . 12040 1 904 . 1 . 1 196 196 SER H H 1 7.439 0.007 . 1 . . . . . 196 Ser H . 12040 1 905 . 1 . 1 196 196 SER C C 13 172.225 0.039 . 1 . . . . . 196 Ser C . 12040 1 906 . 1 . 1 196 196 SER CA C 13 59.845 0.058 . 1 . . . . . 196 Ser CA . 12040 1 907 . 1 . 1 196 196 SER CB C 13 64.647 0.056 . 1 . . . . . 196 Ser CB . 12040 1 908 . 1 . 1 196 196 SER N N 15 113.244 0.033 . 1 . . . . . 196 Ser N . 12040 1 909 . 1 . 1 197 197 TYR H H 1 7.331 0.005 . 1 . . . . . 197 Tyr H . 12040 1 910 . 1 . 1 197 197 TYR C C 13 174.284 0.030 . 1 . . . . . 197 Tyr C . 12040 1 911 . 1 . 1 197 197 TYR CA C 13 56.461 0.000 . 1 . . . . . 197 Tyr CA . 12040 1 912 . 1 . 1 197 197 TYR CB C 13 41.417 0.000 . 1 . . . . . 197 Tyr CB . 12040 1 913 . 1 . 1 197 197 TYR N N 15 117.434 0.167 . 1 . . . . . 197 Tyr N . 12040 1 914 . 1 . 1 198 198 ASP H H 1 8.847 0.003 . 1 . . . . . 198 Asp H . 12040 1 915 . 1 . 1 198 198 ASP CA C 13 53.789 0.000 . 1 . . . . . 198 Asp CA . 12040 1 916 . 1 . 1 198 198 ASP N N 15 119.264 0.072 . 1 . . . . . 198 Asp N . 12040 1 917 . 1 . 1 199 199 PHE H H 1 7.400 0.005 . 1 . . . . . 199 Phe H . 12040 1 918 . 1 . 1 199 199 PHE C C 13 173.661 0.035 . 1 . . . . . 199 Phe C . 12040 1 919 . 1 . 1 199 199 PHE CA C 13 55.396 0.040 . 1 . . . . . 199 Phe CA . 12040 1 920 . 1 . 1 199 199 PHE CB C 13 39.873 0.016 . 1 . . . . . 199 Phe CB . 12040 1 921 . 1 . 1 199 199 PHE N N 15 114.711 0.030 . 1 . . . . . 199 Phe N . 12040 1 922 . 1 . 1 200 200 LEU H H 1 8.406 0.011 . 1 . . . . . 200 Leu H . 12040 1 923 . 1 . 1 200 200 LEU C C 13 174.755 0.000 . 1 . . . . . 200 Leu C . 12040 1 924 . 1 . 1 200 200 LEU CA C 13 52.068 0.000 . 1 . . . . . 200 Leu CA . 12040 1 925 . 1 . 1 200 200 LEU CB C 13 47.369 0.000 . 1 . . . . . 200 Leu CB . 12040 1 926 . 1 . 1 200 200 LEU N N 15 119.579 0.024 . 1 . . . . . 200 Leu N . 12040 1 927 . 1 . 1 201 201 PRO C C 13 177.468 0.000 . 1 . . . . . 201 Pro C . 12040 1 928 . 1 . 1 201 201 PRO CA C 13 62.600 0.000 . 1 . . . . . 201 Pro CA . 12040 1 929 . 1 . 1 201 201 PRO CB C 13 31.247 0.000 . 1 . . . . . 201 Pro CB . 12040 1 930 . 1 . 1 202 202 LEU H H 1 8.649 0.013 . 1 . . . . . 202 Leu H . 12040 1 931 . 1 . 1 202 202 LEU C C 13 178.610 0.050 . 1 . . . . . 202 Leu C . 12040 1 932 . 1 . 1 202 202 LEU CA C 13 58.062 0.011 . 1 . . . . . 202 Leu CA . 12040 1 933 . 1 . 1 202 202 LEU CB C 13 41.177 0.019 . 1 . . . . . 202 Leu CB . 12040 1 934 . 1 . 1 202 202 LEU N N 15 126.638 0.129 . 1 . . . . . 202 Leu N . 12040 1 935 . 1 . 1 203 203 SER H H 1 8.965 0.003 . 1 . . . . . 203 Ser H . 12040 1 936 . 1 . 1 203 203 SER C C 13 178.633 0.042 . 1 . . . . . 203 Ser C . 12040 1 937 . 1 . 1 203 203 SER CA C 13 60.931 0.032 . 1 . . . . . 203 Ser CA . 12040 1 938 . 1 . 1 203 203 SER CB C 13 61.777 0.136 . 1 . . . . . 203 Ser CB . 12040 1 939 . 1 . 1 203 203 SER N N 15 112.543 0.036 . 1 . . . . . 203 Ser N . 12040 1 940 . 1 . 1 204 204 ASN H H 1 7.486 0.014 . 1 . . . . . 204 Asn H . 12040 1 941 . 1 . 1 204 204 ASN C C 13 177.383 0.039 . 1 . . . . . 204 Asn C . 12040 1 942 . 1 . 1 204 204 ASN CA C 13 55.871 0.015 . 1 . . . . . 204 Asn CA . 12040 1 943 . 1 . 1 204 204 ASN CB C 13 38.054 0.007 . 1 . . . . . 204 Asn CB . 12040 1 944 . 1 . 1 204 204 ASN N N 15 120.428 0.188 . 1 . . . . . 204 Asn N . 12040 1 945 . 1 . 1 205 205 ILE H H 1 7.580 0.017 . 1 . . . . . 205 Ile H . 12040 1 946 . 1 . 1 205 205 ILE C C 13 175.887 0.021 . 1 . . . . . 205 Ile C . 12040 1 947 . 1 . 1 205 205 ILE CA C 13 62.544 0.000 . 1 . . . . . 205 Ile CA . 12040 1 948 . 1 . 1 205 205 ILE CB C 13 35.857 0.004 . 1 . . . . . 205 Ile CB . 12040 1 949 . 1 . 1 205 205 ILE N N 15 119.796 0.110 . 1 . . . . . 205 Ile N . 12040 1 950 . 1 . 1 206 206 LYS H H 1 8.090 0.023 . 1 . . . . . 206 Lys H . 12040 1 951 . 1 . 1 206 206 LYS C C 13 177.035 0.106 . 1 . . . . . 206 Lys C . 12040 1 952 . 1 . 1 206 206 LYS CA C 13 59.343 0.004 . 1 . . . . . 206 Lys CA . 12040 1 953 . 1 . 1 206 206 LYS CB C 13 31.315 0.070 . 1 . . . . . 206 Lys CB . 12040 1 954 . 1 . 1 206 206 LYS N N 15 121.120 0.128 . 1 . . . . . 206 Lys N . 12040 1 955 . 1 . 1 207 207 ALA H H 1 6.761 0.016 . 1 . . . . . 207 Ala H . 12040 1 956 . 1 . 1 207 207 ALA C C 13 181.213 0.036 . 1 . . . . . 207 Ala C . 12040 1 957 . 1 . 1 207 207 ALA CA C 13 53.463 0.006 . 1 . . . . . 207 Ala CA . 12040 1 958 . 1 . 1 207 207 ALA CB C 13 17.641 0.025 . 1 . . . . . 207 Ala CB . 12040 1 959 . 1 . 1 207 207 ALA N N 15 117.351 0.275 . 1 . . . . . 207 Ala N . 12040 1 960 . 1 . 1 208 208 LEU H H 1 7.833 0.006 . 1 . . . . . 208 Leu H . 12040 1 961 . 1 . 1 208 208 LEU C C 13 175.590 0.044 . 1 . . . . . 208 Leu C . 12040 1 962 . 1 . 1 208 208 LEU CA C 13 56.353 0.028 . 1 . . . . . 208 Leu CA . 12040 1 963 . 1 . 1 208 208 LEU CB C 13 42.026 0.001 . 1 . . . . . 208 Leu CB . 12040 1 964 . 1 . 1 208 208 LEU N N 15 119.535 0.171 . 1 . . . . . 208 Leu N . 12040 1 965 . 1 . 1 209 209 LEU H H 1 6.861 0.005 . 1 . . . . . 209 Leu H . 12040 1 966 . 1 . 1 209 209 LEU C C 13 175.773 0.118 . 1 . . . . . 209 Leu C . 12040 1 967 . 1 . 1 209 209 LEU CA C 13 52.306 0.006 . 1 . . . . . 209 Leu CA . 12040 1 968 . 1 . 1 209 209 LEU CB C 13 41.350 0.041 . 1 . . . . . 209 Leu CB . 12040 1 969 . 1 . 1 209 209 LEU N N 15 110.692 0.028 . 1 . . . . . 209 Leu N . 12040 1 970 . 1 . 1 210 210 PHE H H 1 6.751 0.022 . 1 . . . . . 210 Phe H . 12040 1 971 . 1 . 1 210 210 PHE C C 13 175.991 0.000 . 1 . . . . . 210 Phe C . 12040 1 972 . 1 . 1 210 210 PHE CA C 13 57.400 0.000 . 1 . . . . . 210 Phe CA . 12040 1 973 . 1 . 1 210 210 PHE CB C 13 33.713 0.004 . 1 . . . . . 210 Phe CB . 12040 1 974 . 1 . 1 210 210 PHE N N 15 113.597 0.037 . 1 . . . . . 210 Phe N . 12040 1 975 . 1 . 1 211 211 PHE H H 1 8.150 0.004 . 1 . . . . . 211 Phe H . 12040 1 976 . 1 . 1 211 211 PHE C C 13 176.226 0.028 . 1 . . . . . 211 Phe C . 12040 1 977 . 1 . 1 211 211 PHE CA C 13 57.560 0.008 . 1 . . . . . 211 Phe CA . 12040 1 978 . 1 . 1 211 211 PHE CB C 13 40.340 0.023 . 1 . . . . . 211 Phe CB . 12040 1 979 . 1 . 1 211 211 PHE N N 15 117.341 0.166 . 1 . . . . . 211 Phe N . 12040 1 980 . 1 . 1 212 212 ASN H H 1 9.475 0.003 . 1 . . . . . 212 Asn H . 12040 1 981 . 1 . 1 212 212 ASN C C 13 175.808 0.154 . 1 . . . . . 212 Asn C . 12040 1 982 . 1 . 1 212 212 ASN CA C 13 54.137 0.006 . 1 . . . . . 212 Asn CA . 12040 1 983 . 1 . 1 212 212 ASN CB C 13 39.533 0.059 . 1 . . . . . 212 Asn CB . 12040 1 984 . 1 . 1 212 212 ASN N N 15 116.599 0.015 . 1 . . . . . 212 Asn N . 12040 1 985 . 1 . 1 213 213 ASN H H 1 7.740 0.006 . 1 . . . . . 213 Asn H . 12040 1 986 . 1 . 1 213 213 ASN C C 13 175.430 0.000 . 1 . . . . . 213 Asn C . 12040 1 987 . 1 . 1 213 213 ASN CA C 13 51.967 0.000 . 1 . . . . . 213 Asn CA . 12040 1 988 . 1 . 1 213 213 ASN CB C 13 39.974 0.000 . 1 . . . . . 213 Asn CB . 12040 1 989 . 1 . 1 213 213 ASN N N 15 111.352 0.150 . 1 . . . . . 213 Asn N . 12040 1 990 . 1 . 1 215 215 LYS H H 1 8.374 0.019 . 1 . . . . . 215 Lys H . 12040 1 991 . 1 . 1 215 215 LYS C C 13 180.029 0.004 . 1 . . . . . 215 Lys C . 12040 1 992 . 1 . 1 215 215 LYS CA C 13 58.977 0.000 . 1 . . . . . 215 Lys CA . 12040 1 993 . 1 . 1 215 215 LYS CB C 13 30.243 0.014 . 1 . . . . . 215 Lys CB . 12040 1 994 . 1 . 1 215 215 LYS N N 15 123.783 0.247 . 1 . . . . . 215 Lys N . 12040 1 995 . 1 . 1 216 216 GLU H H 1 8.536 0.021 . 1 . . . . . 216 Glu H . 12040 1 996 . 1 . 1 216 216 GLU C C 13 178.703 0.031 . 1 . . . . . 216 Glu C . 12040 1 997 . 1 . 1 216 216 GLU CA C 13 58.136 0.031 . 1 . . . . . 216 Glu CA . 12040 1 998 . 1 . 1 216 216 GLU CB C 13 28.945 0.000 . 1 . . . . . 216 Glu CB . 12040 1 999 . 1 . 1 216 216 GLU N N 15 119.015 0.220 . 1 . . . . . 216 Glu N . 12040 1 1000 . 1 . 1 217 217 THR H H 1 6.756 0.024 . 1 . . . . . 217 Thr H . 12040 1 1001 . 1 . 1 217 217 THR C C 13 175.568 0.100 . 1 . . . . . 217 Thr C . 12040 1 1002 . 1 . 1 217 217 THR CA C 13 65.889 0.018 . 1 . . . . . 217 Thr CA . 12040 1 1003 . 1 . 1 217 217 THR CB C 13 66.916 0.012 . 1 . . . . . 217 Thr CB . 12040 1 1004 . 1 . 1 217 217 THR N N 15 115.998 0.276 . 1 . . . . . 217 Thr N . 12040 1 1005 . 1 . 1 218 218 GLU H H 1 8.434 0.022 . 1 . . . . . 218 Glu H . 12040 1 1006 . 1 . 1 218 218 GLU C C 13 177.967 0.019 . 1 . . . . . 218 Glu C . 12040 1 1007 . 1 . 1 218 218 GLU CA C 13 59.261 0.000 . 1 . . . . . 218 Glu CA . 12040 1 1008 . 1 . 1 218 218 GLU CB C 13 28.951 0.073 . 1 . . . . . 218 Glu CB . 12040 1 1009 . 1 . 1 218 218 GLU N N 15 122.160 0.378 . 1 . . . . . 218 Glu N . 12040 1 1010 . 1 . 1 219 219 LYS H H 1 7.656 0.021 . 1 . . . . . 219 Lys H . 12040 1 1011 . 1 . 1 219 219 LYS C C 13 177.833 0.000 . 1 . . . . . 219 Lys C . 12040 1 1012 . 1 . 1 219 219 LYS CA C 13 59.072 0.000 . 1 . . . . . 219 Lys CA . 12040 1 1013 . 1 . 1 219 219 LYS CB C 13 31.215 0.000 . 1 . . . . . 219 Lys CB . 12040 1 1014 . 1 . 1 219 219 LYS N N 15 118.950 0.205 . 1 . . . . . 219 Lys N . 12040 1 1015 . 1 . 1 220 220 PHE H H 1 7.325 0.005 . 1 . . . . . 220 Phe H . 12040 1 1016 . 1 . 1 220 220 PHE C C 13 177.418 0.128 . 1 . . . . . 220 Phe C . 12040 1 1017 . 1 . 1 220 220 PHE CA C 13 60.954 0.004 . 1 . . . . . 220 Phe CA . 12040 1 1018 . 1 . 1 220 220 PHE CB C 13 39.613 0.007 . 1 . . . . . 220 Phe CB . 12040 1 1019 . 1 . 1 220 220 PHE N N 15 120.004 0.135 . 1 . . . . . 220 Phe N . 12040 1 1020 . 1 . 1 221 221 ALA H H 1 8.437 0.004 . 1 . . . . . 221 Ala H . 12040 1 1021 . 1 . 1 221 221 ALA C C 13 177.286 0.000 . 1 . . . . . 221 Ala C . 12040 1 1022 . 1 . 1 221 221 ALA CA C 13 54.775 0.012 . 1 . . . . . 221 Ala CA . 12040 1 1023 . 1 . 1 221 221 ALA CB C 13 17.412 0.034 . 1 . . . . . 221 Ala CB . 12040 1 1024 . 1 . 1 221 221 ALA N N 15 120.729 0.038 . 1 . . . . . 221 Ala N . 12040 1 1025 . 1 . 1 222 222 LEU H H 1 8.331 0.017 . 1 . . . . . 222 Leu H . 12040 1 1026 . 1 . 1 222 222 LEU C C 13 178.809 0.000 . 1 . . . . . 222 Leu C . 12040 1 1027 . 1 . 1 222 222 LEU CA C 13 58.791 0.001 . 1 . . . . . 222 Leu CA . 12040 1 1028 . 1 . 1 222 222 LEU CB C 13 31.111 0.007 . 1 . . . . . 222 Leu CB . 12040 1 1029 . 1 . 1 222 222 LEU N N 15 118.542 0.115 . 1 . . . . . 222 Leu N . 12040 1 1030 . 1 . 1 223 223 GLU H H 1 7.856 0.013 . 1 . . . . . 223 Glu H . 12040 1 1031 . 1 . 1 223 223 GLU C C 13 177.556 0.000 . 1 . . . . . 223 Glu C . 12040 1 1032 . 1 . 1 223 223 GLU CA C 13 58.342 0.000 . 1 . . . . . 223 Glu CA . 12040 1 1033 . 1 . 1 223 223 GLU CB C 13 27.962 0.000 . 1 . . . . . 223 Glu CB . 12040 1 1034 . 1 . 1 223 223 GLU N N 15 115.989 0.048 . 1 . . . . . 223 Glu N . 12040 1 1035 . 1 . 1 224 224 ARG H H 1 7.135 0.004 . 1 . . . . . 224 Arg H . 12040 1 1036 . 1 . 1 224 224 ARG C C 13 175.008 0.037 . 1 . . . . . 224 Arg C . 12040 1 1037 . 1 . 1 224 224 ARG CA C 13 53.713 0.000 . 1 . . . . . 224 Arg CA . 12040 1 1038 . 1 . 1 224 224 ARG CB C 13 27.175 0.016 . 1 . . . . . 224 Arg CB . 12040 1 1039 . 1 . 1 224 224 ARG N N 15 117.215 0.046 . 1 . . . . . 224 Arg N . 12040 1 1040 . 1 . 1 225 225 ASN H H 1 7.757 0.012 . 1 . . . . . 225 Asn H . 12040 1 1041 . 1 . 1 225 225 ASN C C 13 174.451 0.088 . 1 . . . . . 225 Asn C . 12040 1 1042 . 1 . 1 225 225 ASN CA C 13 54.000 0.062 . 1 . . . . . 225 Asn CA . 12040 1 1043 . 1 . 1 225 225 ASN CB C 13 36.503 0.022 . 1 . . . . . 225 Asn CB . 12040 1 1044 . 1 . 1 225 225 ASN N N 15 114.031 0.130 . 1 . . . . . 225 Asn N . 12040 1 1045 . 1 . 1 226 226 TRP H H 1 8.297 0.008 . 1 . . . . . 226 Trp H . 12040 1 1046 . 1 . 1 226 226 TRP C C 13 174.213 0.000 . 1 . . . . . 226 Trp C . 12040 1 1047 . 1 . 1 226 226 TRP CA C 13 51.436 0.000 . 1 . . . . . 226 Trp CA . 12040 1 1048 . 1 . 1 226 226 TRP CB C 13 30.632 0.000 . 1 . . . . . 226 Trp CB . 12040 1 1049 . 1 . 1 226 226 TRP N N 15 121.587 0.136 . 1 . . . . . 226 Trp N . 12040 1 1050 . 1 . 1 227 227 PRO C C 13 175.419 0.000 . 1 . . . . . 227 Pro C . 12040 1 1051 . 1 . 1 227 227 PRO CA C 13 62.562 0.000 . 1 . . . . . 227 Pro CA . 12040 1 1052 . 1 . 1 227 227 PRO CB C 13 31.678 0.000 . 1 . . . . . 227 Pro CB . 12040 1 1053 . 1 . 1 228 228 ILE H H 1 8.063 0.003 . 1 . . . . . 228 Ile H . 12040 1 1054 . 1 . 1 228 228 ILE C C 13 177.047 0.000 . 1 . . . . . 228 Ile C . 12040 1 1055 . 1 . 1 228 228 ILE CA C 13 59.834 0.002 . 1 . . . . . 228 Ile CA . 12040 1 1056 . 1 . 1 228 228 ILE CB C 13 38.273 0.005 . 1 . . . . . 228 Ile CB . 12040 1 1057 . 1 . 1 228 228 ILE N N 15 121.033 0.007 . 1 . . . . . 228 Ile N . 12040 1 1058 . 1 . 1 229 229 VAL H H 1 9.165 0.003 . 1 . . . . . 229 Val H . 12040 1 1059 . 1 . 1 229 229 VAL C C 13 176.374 0.044 . 1 . . . . . 229 Val C . 12040 1 1060 . 1 . 1 229 229 VAL CA C 13 60.937 0.016 . 1 . . . . . 229 Val CA . 12040 1 1061 . 1 . 1 229 229 VAL CB C 13 33.689 0.012 . 1 . . . . . 229 Val CB . 12040 1 1062 . 1 . 1 229 229 VAL N N 15 128.239 0.010 . 1 . . . . . 229 Val N . 12040 1 1063 . 1 . 1 230 230 ASN H H 1 9.573 0.004 . 1 . . . . . 230 Asn H . 12040 1 1064 . 1 . 1 230 230 ASN C C 13 174.711 0.011 . 1 . . . . . 230 Asn C . 12040 1 1065 . 1 . 1 230 230 ASN CA C 13 54.240 0.017 . 1 . . . . . 230 Asn CA . 12040 1 1066 . 1 . 1 230 230 ASN CB C 13 36.626 0.022 . 1 . . . . . 230 Asn CB . 12040 1 1067 . 1 . 1 230 230 ASN N N 15 127.598 0.030 . 1 . . . . . 230 Asn N . 12040 1 1068 . 1 . 1 231 231 SER H H 1 8.821 0.004 . 1 . . . . . 231 Ser H . 12040 1 1069 . 1 . 1 231 231 SER C C 13 172.619 0.046 . 1 . . . . . 231 Ser C . 12040 1 1070 . 1 . 1 231 231 SER CA C 13 59.915 0.025 . 1 . . . . . 231 Ser CA . 12040 1 1071 . 1 . 1 231 231 SER CB C 13 61.648 0.007 . 1 . . . . . 231 Ser CB . 12040 1 1072 . 1 . 1 231 231 SER N N 15 106.900 0.025 . 1 . . . . . 231 Ser N . 12040 1 1073 . 1 . 1 232 232 LYS H H 1 8.015 0.009 . 1 . . . . . 232 Lys H . 12040 1 1074 . 1 . 1 232 232 LYS C C 13 172.682 0.034 . 1 . . . . . 232 Lys C . 12040 1 1075 . 1 . 1 232 232 LYS CA C 13 54.904 0.004 . 1 . . . . . 232 Lys CA . 12040 1 1076 . 1 . 1 232 232 LYS CB C 13 34.145 0.032 . 1 . . . . . 232 Lys CB . 12040 1 1077 . 1 . 1 232 232 LYS N N 15 121.789 0.057 . 1 . . . . . 232 Lys N . 12040 1 1078 . 1 . 1 233 233 VAL H H 1 8.518 0.013 . 1 . . . . . 233 Val H . 12040 1 1079 . 1 . 1 233 233 VAL C C 13 173.933 0.002 . 1 . . . . . 233 Val C . 12040 1 1080 . 1 . 1 233 233 VAL CA C 13 60.023 0.060 . 1 . . . . . 233 Val CA . 12040 1 1081 . 1 . 1 233 233 VAL CB C 13 31.347 0.044 . 1 . . . . . 233 Val CB . 12040 1 1082 . 1 . 1 233 233 VAL N N 15 121.833 0.282 . 1 . . . . . 233 Val N . 12040 1 1083 . 1 . 1 234 234 TYR H H 1 8.328 0.025 . 1 . . . . . 234 Tyr H . 12040 1 1084 . 1 . 1 234 234 TYR C C 13 174.718 0.000 . 1 . . . . . 234 Tyr C . 12040 1 1085 . 1 . 1 234 234 TYR CA C 13 57.093 0.000 . 1 . . . . . 234 Tyr CA . 12040 1 1086 . 1 . 1 234 234 TYR CB C 13 39.556 0.009 . 1 . . . . . 234 Tyr CB . 12040 1 1087 . 1 . 1 234 234 TYR N N 15 123.624 0.217 . 1 . . . . . 234 Tyr N . 12040 1 1088 . 1 . 1 235 235 PHE H H 1 7.363 0.023 . 1 . . . . . 235 Phe H . 12040 1 1089 . 1 . 1 235 235 PHE C C 13 176.113 0.000 . 1 . . . . . 235 Phe C . 12040 1 1090 . 1 . 1 235 235 PHE CA C 13 56.497 0.145 . 1 . . . . . 235 Phe CA . 12040 1 1091 . 1 . 1 235 235 PHE CB C 13 38.740 0.060 . 1 . . . . . 235 Phe CB . 12040 1 1092 . 1 . 1 235 235 PHE N N 15 117.523 0.107 . 1 . . . . . 235 Phe N . 12040 1 1093 . 1 . 1 236 236 ASN H H 1 8.369 0.014 . 1 . . . . . 236 Asn H . 12040 1 1094 . 1 . 1 236 236 ASN C C 13 174.979 0.037 . 1 . . . . . 236 Asn C . 12040 1 1095 . 1 . 1 236 236 ASN CA C 13 52.585 0.004 . 1 . . . . . 236 Asn CA . 12040 1 1096 . 1 . 1 236 236 ASN CB C 13 38.936 0.010 . 1 . . . . . 236 Asn CB . 12040 1 1097 . 1 . 1 236 236 ASN N N 15 116.356 0.117 . 1 . . . . . 236 Asn N . 12040 1 1098 . 1 . 1 237 237 ASN H H 1 8.837 0.003 . 1 . . . . . 237 Asn H . 12040 1 1099 . 1 . 1 237 237 ASN C C 13 175.977 0.022 . 1 . . . . . 237 Asn C . 12040 1 1100 . 1 . 1 237 237 ASN CA C 13 53.791 0.000 . 1 . . . . . 237 Asn CA . 12040 1 1101 . 1 . 1 237 237 ASN CB C 13 38.375 0.064 . 1 . . . . . 237 Asn CB . 12040 1 1102 . 1 . 1 237 237 ASN N N 15 119.420 0.019 . 1 . . . . . 237 Asn N . 12040 1 1103 . 1 . 1 238 238 GLN H H 1 8.575 0.003 . 1 . . . . . 238 Gln H . 12040 1 1104 . 1 . 1 238 238 GLN C C 13 176.696 0.018 . 1 . . . . . 238 Gln C . 12040 1 1105 . 1 . 1 238 238 GLN CA C 13 56.333 0.000 . 1 . . . . . 238 Gln CA . 12040 1 1106 . 1 . 1 238 238 GLN CB C 13 28.120 0.004 . 1 . . . . . 238 Gln CB . 12040 1 1107 . 1 . 1 238 238 GLN N N 15 120.352 0.037 . 1 . . . . . 238 Gln N . 12040 1 1108 . 1 . 1 239 239 SER H H 1 8.363 0.010 . 1 . . . . . 239 Ser H . 12040 1 1109 . 1 . 1 239 239 SER C C 13 174.842 0.000 . 1 . . . . . 239 Ser C . 12040 1 1110 . 1 . 1 239 239 SER CA C 13 58.763 0.001 . 1 . . . . . 239 Ser CA . 12040 1 1111 . 1 . 1 239 239 SER CB C 13 62.918 0.029 . 1 . . . . . 239 Ser CB . 12040 1 1112 . 1 . 1 239 239 SER N N 15 116.509 0.290 . 1 . . . . . 239 Ser N . 12040 1 1113 . 1 . 1 240 240 LYS H H 1 8.097 0.019 . 1 . . . . . 240 Lys H . 12040 1 1114 . 1 . 1 240 240 LYS C C 13 176.772 0.000 . 1 . . . . . 240 Lys C . 12040 1 1115 . 1 . 1 240 240 LYS CA C 13 56.334 0.055 . 1 . . . . . 240 Lys CA . 12040 1 1116 . 1 . 1 240 240 LYS CB C 13 31.849 0.011 . 1 . . . . . 240 Lys CB . 12040 1 1117 . 1 . 1 240 240 LYS N N 15 123.127 0.280 . 1 . . . . . 240 Lys N . 12040 1 1118 . 1 . 1 241 241 GLU H H 1 8.279 0.023 . 1 . . . . . 241 Glu H . 12040 1 1119 . 1 . 1 241 241 GLU C C 13 176.576 0.066 . 1 . . . . . 241 Glu C . 12040 1 1120 . 1 . 1 241 241 GLU CA C 13 56.117 0.000 . 1 . . . . . 241 Glu CA . 12040 1 1121 . 1 . 1 241 241 GLU CB C 13 29.094 0.005 . 1 . . . . . 241 Glu CB . 12040 1 1122 . 1 . 1 241 241 GLU N N 15 121.160 0.268 . 1 . . . . . 241 Glu N . 12040 1 1123 . 1 . 1 242 242 LYS H H 1 8.125 0.019 . 1 . . . . . 242 Lys H . 12040 1 1124 . 1 . 1 242 242 LYS C C 13 176.270 0.075 . 1 . . . . . 242 Lys C . 12040 1 1125 . 1 . 1 242 242 LYS CA C 13 55.984 0.056 . 1 . . . . . 242 Lys CA . 12040 1 1126 . 1 . 1 242 242 LYS CB C 13 31.988 0.006 . 1 . . . . . 242 Lys CB . 12040 1 1127 . 1 . 1 242 242 LYS N N 15 121.642 0.221 . 1 . . . . . 242 Lys N . 12040 1 1128 . 1 . 1 243 243 ALA H H 1 8.225 0.023 . 1 . . . . . 243 Ala H . 12040 1 1129 . 1 . 1 243 243 ALA C C 13 177.383 0.012 . 1 . . . . . 243 Ala C . 12040 1 1130 . 1 . 1 243 243 ALA CA C 13 51.946 0.004 . 1 . . . . . 243 Ala CA . 12040 1 1131 . 1 . 1 243 243 ALA CB C 13 18.386 0.019 . 1 . . . . . 243 Ala CB . 12040 1 1132 . 1 . 1 243 243 ALA N N 15 125.204 0.273 . 1 . . . . . 243 Ala N . 12040 1 1133 . 1 . 1 244 244 ASP H H 1 8.170 0.025 . 1 . . . . . 244 Asp H . 12040 1 1134 . 1 . 1 244 244 ASP C C 13 175.701 0.050 . 1 . . . . . 244 Asp C . 12040 1 1135 . 1 . 1 244 244 ASP CA C 13 54.245 0.006 . 1 . . . . . 244 Asp CA . 12040 1 1136 . 1 . 1 244 244 ASP CB C 13 40.365 0.020 . 1 . . . . . 244 Asp CB . 12040 1 1137 . 1 . 1 244 244 ASP N N 15 119.116 0.202 . 1 . . . . . 244 Asp N . 12040 1 1138 . 1 . 1 245 245 TYR H H 1 7.797 0.019 . 1 . . . . . 245 Tyr H . 12040 1 1139 . 1 . 1 245 245 TYR C C 13 174.755 0.034 . 1 . . . . . 245 Tyr C . 12040 1 1140 . 1 . 1 245 245 TYR CA C 13 57.090 0.000 . 1 . . . . . 245 Tyr CA . 12040 1 1141 . 1 . 1 245 245 TYR CB C 13 38.038 0.013 . 1 . . . . . 245 Tyr CB . 12040 1 1142 . 1 . 1 245 245 TYR N N 15 118.731 0.158 . 1 . . . . . 245 Tyr N . 12040 1 1143 . 1 . 1 246 246 GLU H H 1 7.756 0.024 . 1 . . . . . 246 Glu H . 12040 1 1144 . 1 . 1 246 246 GLU C C 13 180.904 0.000 . 1 . . . . . 246 Glu C . 12040 1 1145 . 1 . 1 246 246 GLU CA C 13 57.477 0.000 . 1 . . . . . 246 Glu CA . 12040 1 1146 . 1 . 1 246 246 GLU CB C 13 30.354 0.000 . 1 . . . . . 246 Glu CB . 12040 1 1147 . 1 . 1 246 246 GLU N N 15 126.921 0.170 . 1 . . . . . 246 Glu N . 12040 1 stop_ save_