data_19825 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19825 _Entry.Title ; HLA-B*35:01 with peptide VPLRAMTY ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-02 _Entry.Accession_date 2014-03-02 _Entry.Last_release_date 2014-03-03 _Entry.Original_release_date 2014-03-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Saeko Yanaka . . . . 19825 2 Kenji Sugase . . . . 19825 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19825 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 617 19825 '15N chemical shifts' 213 19825 '1H chemical shifts' 215 19825 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 . . 2019-07-12 . original BMRB . 19825 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19825 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25028510 _Citation.Full_citation . _Citation.Title ; Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 24680 _Citation.Page_last 24690 _Citation.Year 2014 _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 Saeko Yanaka . . . . 19825 1 2 Takamasa Ueno . . . . 19825 1 3 Shi Yi . . . . 19825 1 4 Jianxun Qi . . . . 19825 1 5 George Gao . F. . . 19825 1 6 Kouhei Tsumoto . . . . 19825 1 7 Kenji Sugase . . . . 19825 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HLA-B*35:01 19825 1 'Relaxation dispersion' 19825 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19825 _Assembly.ID 1 _Assembly.Name HLA-B*35:01 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 beta-2-microglobulin 1 $HLA-B-35-01_with_peptide_VPLRAMTY A . yes native no no . . . 19825 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLA-B-35-01_with_peptide_VPLRAMTY _Entity.Sf_category entity _Entity.Sf_framecode HLA-B-35-01_with_peptide_VPLRAMTY _Entity.Entry_ID 19825 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLA-B*35:01_with_peptide_VPLRAMTY _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 ; GSHSMRYFYTAMSRPGRGEP RFIAVGYVDDTQFVRFDSDA ASPRTEPRPPWIEQEGPEYW DRNTQIFKTNTQTYRESLRN LRGYYNQSEAGSHIIQRMYG CDLGPDGRLLRGHDQSAYDG KDYIALNEDLSSWTAADTAA QITQRKWEAARVAEQLRAYL EGLCVEWLRRYLENGKETLQ RADPPKTHVTHHPVSDHEAT LRCWALGFYPAEITLTWQRD GEDQTQDTELVETRPAGDRT FQKWAAVVVPSGEEQRYTCH VQHEGLPKPLTLRWEP ; _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 276 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2 GLY . 19825 1 2 3 SER . 19825 1 3 4 HIS . 19825 1 4 5 SER . 19825 1 5 6 MET . 19825 1 6 7 ARG . 19825 1 7 8 TYR . 19825 1 8 9 PHE . 19825 1 9 10 TYR . 19825 1 10 11 THR . 19825 1 11 12 ALA . 19825 1 12 13 MET . 19825 1 13 14 SER . 19825 1 14 15 ARG . 19825 1 15 16 PRO . 19825 1 16 17 GLY . 19825 1 17 18 ARG . 19825 1 18 19 GLY . 19825 1 19 20 GLU . 19825 1 20 21 PRO . 19825 1 21 22 ARG . 19825 1 22 23 PHE . 19825 1 23 24 ILE . 19825 1 24 25 ALA . 19825 1 25 26 VAL . 19825 1 26 27 GLY . 19825 1 27 28 TYR . 19825 1 28 29 VAL . 19825 1 29 30 ASP . 19825 1 30 31 ASP . 19825 1 31 32 THR . 19825 1 32 33 GLN . 19825 1 33 34 PHE . 19825 1 34 35 VAL . 19825 1 35 36 ARG . 19825 1 36 37 PHE . 19825 1 37 38 ASP . 19825 1 38 39 SER . 19825 1 39 40 ASP . 19825 1 40 41 ALA . 19825 1 41 42 ALA . 19825 1 42 43 SER . 19825 1 43 44 PRO . 19825 1 44 45 ARG . 19825 1 45 46 THR . 19825 1 46 47 GLU . 19825 1 47 48 PRO . 19825 1 48 49 ARG . 19825 1 49 50 ALA . 19825 1 50 51 PRO . 19825 1 51 52 TRP . 19825 1 52 53 ILE . 19825 1 53 54 GLU . 19825 1 54 55 GLN . 19825 1 55 56 GLU . 19825 1 56 57 GLY . 19825 1 57 58 PRO . 19825 1 58 59 GLU . 19825 1 59 60 TYR . 19825 1 60 61 TRP . 19825 1 61 62 ASP . 19825 1 62 63 ARG . 19825 1 63 64 ASN . 19825 1 64 65 THR . 19825 1 65 66 GLN . 19825 1 66 67 ILE . 19825 1 67 68 PHE . 19825 1 68 69 LYS . 19825 1 69 70 THR . 19825 1 70 71 ASN . 19825 1 71 72 THR . 19825 1 72 73 GLN . 19825 1 73 74 THR . 19825 1 74 75 TYR . 19825 1 75 76 ARG . 19825 1 76 77 GLU . 19825 1 77 78 SER . 19825 1 78 79 LEU . 19825 1 79 80 ARG . 19825 1 80 81 ASN . 19825 1 81 82 LEU . 19825 1 82 83 ARG . 19825 1 83 84 GLY . 19825 1 84 85 TYR . 19825 1 85 86 TYR . 19825 1 86 87 ASN . 19825 1 87 88 GLN . 19825 1 88 89 SER . 19825 1 89 90 GLU . 19825 1 90 91 ALA . 19825 1 91 92 GLY . 19825 1 92 93 SER . 19825 1 93 94 HIS . 19825 1 94 95 ILE . 19825 1 95 96 ILE . 19825 1 96 97 GLN . 19825 1 97 98 ARG . 19825 1 98 99 MET . 19825 1 99 100 TYR . 19825 1 100 101 GLY . 19825 1 101 102 CYS . 19825 1 102 103 ASP . 19825 1 103 104 LEU . 19825 1 104 105 GLY . 19825 1 105 106 PRO . 19825 1 106 107 ASP . 19825 1 107 108 GLY . 19825 1 108 109 ARG . 19825 1 109 110 LEU . 19825 1 110 111 LEU . 19825 1 111 112 ARG . 19825 1 112 113 GLY . 19825 1 113 114 HIS . 19825 1 114 115 ASP . 19825 1 115 116 GLN . 19825 1 116 117 SER . 19825 1 117 118 ALA . 19825 1 118 119 TYR . 19825 1 119 120 ASP . 19825 1 120 121 GLY . 19825 1 121 122 LYS . 19825 1 122 123 ASP . 19825 1 123 124 TYR . 19825 1 124 125 ILE . 19825 1 125 126 ALA . 19825 1 126 127 LEU . 19825 1 127 128 ASN . 19825 1 128 129 GLU . 19825 1 129 130 ASP . 19825 1 130 131 LEU . 19825 1 131 132 SER . 19825 1 132 133 SER . 19825 1 133 134 TRP . 19825 1 134 135 THR . 19825 1 135 136 ALA . 19825 1 136 137 ALA . 19825 1 137 138 ASP . 19825 1 138 139 THR . 19825 1 139 140 ALA . 19825 1 140 141 ALA . 19825 1 141 142 GLN . 19825 1 142 143 ILE . 19825 1 143 144 THR . 19825 1 144 145 GLN . 19825 1 145 146 ARG . 19825 1 146 147 LYS . 19825 1 147 148 TRP . 19825 1 148 149 GLU . 19825 1 149 150 ALA . 19825 1 150 151 ALA . 19825 1 151 152 ARG . 19825 1 152 153 VAL . 19825 1 153 154 ALA . 19825 1 154 155 GLU . 19825 1 155 156 GLN . 19825 1 156 157 LEU . 19825 1 157 158 ARG . 19825 1 158 159 ALA . 19825 1 159 160 TYR . 19825 1 160 161 LEU . 19825 1 161 162 GLU . 19825 1 162 163 GLY . 19825 1 163 164 LEU . 19825 1 164 165 CYS . 19825 1 165 166 VAL . 19825 1 166 167 GLU . 19825 1 167 168 TRP . 19825 1 168 169 LEU . 19825 1 169 170 ARG . 19825 1 170 171 ARG . 19825 1 171 172 TYR . 19825 1 172 173 LEU . 19825 1 173 174 GLU . 19825 1 174 175 ASN . 19825 1 175 176 GLY . 19825 1 176 177 LYS . 19825 1 177 178 GLU . 19825 1 178 179 THR . 19825 1 179 180 LEU . 19825 1 180 181 GLN . 19825 1 181 182 ARG . 19825 1 182 183 ALA . 19825 1 183 184 ASP . 19825 1 184 185 PRO . 19825 1 185 186 PRO . 19825 1 186 187 LYS . 19825 1 187 188 THR . 19825 1 188 189 HIS . 19825 1 189 190 VAL . 19825 1 190 191 THR . 19825 1 191 192 HIS . 19825 1 192 193 HIS . 19825 1 193 194 PRO . 19825 1 194 195 VAL . 19825 1 195 196 SER . 19825 1 196 197 ASP . 19825 1 197 198 HIS . 19825 1 198 199 GLU . 19825 1 199 200 ALA . 19825 1 200 201 THR . 19825 1 201 202 LEU . 19825 1 202 203 ARG . 19825 1 203 204 CYS . 19825 1 204 205 TRP . 19825 1 205 206 ALA . 19825 1 206 207 LEU . 19825 1 207 208 GLY . 19825 1 208 209 PHE . 19825 1 209 210 TYR . 19825 1 210 211 PRO . 19825 1 211 212 ALA . 19825 1 212 213 GLU . 19825 1 213 214 ILE . 19825 1 214 215 THR . 19825 1 215 216 LEU . 19825 1 216 217 THR . 19825 1 217 218 TRP . 19825 1 218 219 GLN . 19825 1 219 220 ARG . 19825 1 220 221 ASP . 19825 1 221 222 GLY . 19825 1 222 223 GLU . 19825 1 223 224 ASP . 19825 1 224 225 GLN . 19825 1 225 226 THR . 19825 1 226 227 GLN . 19825 1 227 228 ASP . 19825 1 228 229 THR . 19825 1 229 230 GLU . 19825 1 230 231 LEU . 19825 1 231 232 VAL . 19825 1 232 233 GLU . 19825 1 233 234 THR . 19825 1 234 235 ARG . 19825 1 235 236 PRO . 19825 1 236 237 ALA . 19825 1 237 238 GLY . 19825 1 238 239 ASP . 19825 1 239 240 ARG . 19825 1 240 241 THR . 19825 1 241 242 PHE . 19825 1 242 243 GLN . 19825 1 243 244 LYS . 19825 1 244 245 TRP . 19825 1 245 246 ALA . 19825 1 246 247 ALA . 19825 1 247 248 VAL . 19825 1 248 249 VAL . 19825 1 249 250 VAL . 19825 1 250 251 PRO . 19825 1 251 252 SER . 19825 1 252 253 GLY . 19825 1 253 254 GLU . 19825 1 254 255 GLU . 19825 1 255 256 GLN . 19825 1 256 257 ARG . 19825 1 257 258 TYR . 19825 1 258 259 THR . 19825 1 259 260 CYS . 19825 1 260 261 HIS . 19825 1 261 262 VAL . 19825 1 262 263 GLN . 19825 1 263 264 HIS . 19825 1 264 265 GLU . 19825 1 265 266 GLY . 19825 1 266 267 LEU . 19825 1 267 268 PRO . 19825 1 268 269 LYS . 19825 1 269 270 PRO . 19825 1 270 271 LEU . 19825 1 271 272 THR . 19825 1 272 273 LEU . 19825 1 273 274 ARG . 19825 1 274 275 TRP . 19825 1 275 276 GLU . 19825 1 276 277 PRO . 19825 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19825 1 . SER 2 2 19825 1 . HIS 3 3 19825 1 . SER 4 4 19825 1 . MET 5 5 19825 1 . ARG 6 6 19825 1 . TYR 7 7 19825 1 . PHE 8 8 19825 1 . TYR 9 9 19825 1 . THR 10 10 19825 1 . ALA 11 11 19825 1 . MET 12 12 19825 1 . SER 13 13 19825 1 . ARG 14 14 19825 1 . PRO 15 15 19825 1 . GLY 16 16 19825 1 . ARG 17 17 19825 1 . GLY 18 18 19825 1 . GLU 19 19 19825 1 . PRO 20 20 19825 1 . ARG 21 21 19825 1 . PHE 22 22 19825 1 . ILE 23 23 19825 1 . ALA 24 24 19825 1 . VAL 25 25 19825 1 . GLY 26 26 19825 1 . TYR 27 27 19825 1 . VAL 28 28 19825 1 . ASP 29 29 19825 1 . ASP 30 30 19825 1 . THR 31 31 19825 1 . GLN 32 32 19825 1 . PHE 33 33 19825 1 . VAL 34 34 19825 1 . ARG 35 35 19825 1 . PHE 36 36 19825 1 . ASP 37 37 19825 1 . SER 38 38 19825 1 . ASP 39 39 19825 1 . ALA 40 40 19825 1 . ALA 41 41 19825 1 . SER 42 42 19825 1 . PRO 43 43 19825 1 . ARG 44 44 19825 1 . THR 45 45 19825 1 . GLU 46 46 19825 1 . PRO 47 47 19825 1 . ARG 48 48 19825 1 . ALA 49 49 19825 1 . PRO 50 50 19825 1 . TRP 51 51 19825 1 . ILE 52 52 19825 1 . GLU 53 53 19825 1 . GLN 54 54 19825 1 . GLU 55 55 19825 1 . GLY 56 56 19825 1 . PRO 57 57 19825 1 . GLU 58 58 19825 1 . TYR 59 59 19825 1 . TRP 60 60 19825 1 . ASP 61 61 19825 1 . ARG 62 62 19825 1 . ASN 63 63 19825 1 . THR 64 64 19825 1 . GLN 65 65 19825 1 . ILE 66 66 19825 1 . PHE 67 67 19825 1 . LYS 68 68 19825 1 . THR 69 69 19825 1 . ASN 70 70 19825 1 . THR 71 71 19825 1 . GLN 72 72 19825 1 . THR 73 73 19825 1 . TYR 74 74 19825 1 . ARG 75 75 19825 1 . GLU 76 76 19825 1 . SER 77 77 19825 1 . LEU 78 78 19825 1 . ARG 79 79 19825 1 . ASN 80 80 19825 1 . LEU 81 81 19825 1 . ARG 82 82 19825 1 . GLY 83 83 19825 1 . TYR 84 84 19825 1 . TYR 85 85 19825 1 . ASN 86 86 19825 1 . GLN 87 87 19825 1 . SER 88 88 19825 1 . GLU 89 89 19825 1 . ALA 90 90 19825 1 . GLY 91 91 19825 1 . SER 92 92 19825 1 . HIS 93 93 19825 1 . ILE 94 94 19825 1 . ILE 95 95 19825 1 . GLN 96 96 19825 1 . ARG 97 97 19825 1 . MET 98 98 19825 1 . TYR 99 99 19825 1 . GLY 100 100 19825 1 . CYS 101 101 19825 1 . ASP 102 102 19825 1 . LEU 103 103 19825 1 . GLY 104 104 19825 1 . PRO 105 105 19825 1 . ASP 106 106 19825 1 . GLY 107 107 19825 1 . ARG 108 108 19825 1 . LEU 109 109 19825 1 . LEU 110 110 19825 1 . ARG 111 111 19825 1 . GLY 112 112 19825 1 . HIS 113 113 19825 1 . ASP 114 114 19825 1 . GLN 115 115 19825 1 . SER 116 116 19825 1 . ALA 117 117 19825 1 . TYR 118 118 19825 1 . ASP 119 119 19825 1 . GLY 120 120 19825 1 . LYS 121 121 19825 1 . ASP 122 122 19825 1 . TYR 123 123 19825 1 . ILE 124 124 19825 1 . ALA 125 125 19825 1 . LEU 126 126 19825 1 . ASN 127 127 19825 1 . GLU 128 128 19825 1 . ASP 129 129 19825 1 . LEU 130 130 19825 1 . SER 131 131 19825 1 . SER 132 132 19825 1 . TRP 133 133 19825 1 . THR 134 134 19825 1 . ALA 135 135 19825 1 . ALA 136 136 19825 1 . ASP 137 137 19825 1 . THR 138 138 19825 1 . ALA 139 139 19825 1 . ALA 140 140 19825 1 . GLN 141 141 19825 1 . ILE 142 142 19825 1 . THR 143 143 19825 1 . GLN 144 144 19825 1 . ARG 145 145 19825 1 . LYS 146 146 19825 1 . TRP 147 147 19825 1 . GLU 148 148 19825 1 . ALA 149 149 19825 1 . ALA 150 150 19825 1 . ARG 151 151 19825 1 . VAL 152 152 19825 1 . ALA 153 153 19825 1 . GLU 154 154 19825 1 . GLN 155 155 19825 1 . LEU 156 156 19825 1 . ARG 157 157 19825 1 . ALA 158 158 19825 1 . TYR 159 159 19825 1 . LEU 160 160 19825 1 . GLU 161 161 19825 1 . GLY 162 162 19825 1 . LEU 163 163 19825 1 . CYS 164 164 19825 1 . VAL 165 165 19825 1 . GLU 166 166 19825 1 . TRP 167 167 19825 1 . LEU 168 168 19825 1 . ARG 169 169 19825 1 . ARG 170 170 19825 1 . TYR 171 171 19825 1 . LEU 172 172 19825 1 . GLU 173 173 19825 1 . ASN 174 174 19825 1 . GLY 175 175 19825 1 . LYS 176 176 19825 1 . GLU 177 177 19825 1 . THR 178 178 19825 1 . LEU 179 179 19825 1 . GLN 180 180 19825 1 . ARG 181 181 19825 1 . ALA 182 182 19825 1 . ASP 183 183 19825 1 . PRO 184 184 19825 1 . PRO 185 185 19825 1 . LYS 186 186 19825 1 . THR 187 187 19825 1 . HIS 188 188 19825 1 . VAL 189 189 19825 1 . THR 190 190 19825 1 . HIS 191 191 19825 1 . HIS 192 192 19825 1 . PRO 193 193 19825 1 . VAL 194 194 19825 1 . SER 195 195 19825 1 . ASP 196 196 19825 1 . HIS 197 197 19825 1 . GLU 198 198 19825 1 . ALA 199 199 19825 1 . THR 200 200 19825 1 . LEU 201 201 19825 1 . ARG 202 202 19825 1 . CYS 203 203 19825 1 . TRP 204 204 19825 1 . ALA 205 205 19825 1 . LEU 206 206 19825 1 . GLY 207 207 19825 1 . PHE 208 208 19825 1 . TYR 209 209 19825 1 . PRO 210 210 19825 1 . ALA 211 211 19825 1 . GLU 212 212 19825 1 . ILE 213 213 19825 1 . THR 214 214 19825 1 . LEU 215 215 19825 1 . THR 216 216 19825 1 . TRP 217 217 19825 1 . GLN 218 218 19825 1 . ARG 219 219 19825 1 . ASP 220 220 19825 1 . GLY 221 221 19825 1 . GLU 222 222 19825 1 . ASP 223 223 19825 1 . GLN 224 224 19825 1 . THR 225 225 19825 1 . GLN 226 226 19825 1 . ASP 227 227 19825 1 . THR 228 228 19825 1 . GLU 229 229 19825 1 . LEU 230 230 19825 1 . VAL 231 231 19825 1 . GLU 232 232 19825 1 . THR 233 233 19825 1 . ARG 234 234 19825 1 . PRO 235 235 19825 1 . ALA 236 236 19825 1 . GLY 237 237 19825 1 . ASP 238 238 19825 1 . ARG 239 239 19825 1 . THR 240 240 19825 1 . PHE 241 241 19825 1 . GLN 242 242 19825 1 . LYS 243 243 19825 1 . TRP 244 244 19825 1 . ALA 245 245 19825 1 . ALA 246 246 19825 1 . VAL 247 247 19825 1 . VAL 248 248 19825 1 . VAL 249 249 19825 1 . PRO 250 250 19825 1 . SER 251 251 19825 1 . GLY 252 252 19825 1 . GLU 253 253 19825 1 . GLU 254 254 19825 1 . GLN 255 255 19825 1 . ARG 256 256 19825 1 . TYR 257 257 19825 1 . THR 258 258 19825 1 . CYS 259 259 19825 1 . HIS 260 260 19825 1 . VAL 261 261 19825 1 . GLN 262 262 19825 1 . HIS 263 263 19825 1 . GLU 264 264 19825 1 . GLY 265 265 19825 1 . LEU 266 266 19825 1 . PRO 267 267 19825 1 . LYS 268 268 19825 1 . PRO 269 269 19825 1 . LEU 270 270 19825 1 . THR 271 271 19825 1 . LEU 272 272 19825 1 . ARG 273 273 19825 1 . TRP 274 274 19825 1 . GLU 275 275 19825 1 . PRO 276 276 19825 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 19825 _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 $HLA-B-35-01_with_peptide_VPLRAMTY . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19825 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 19825 _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 $HLA-B-35-01_with_peptide_VPLRAMTY . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-22b . . . 19825 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19825 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HLA-B*35:01 with peptide VPLRAMTY' '[U-13C; U-15N; U-2H]' . . 1 $HLA-B-35-01_with_peptide_VPLRAMTY . . . 800 900 uM . . . . 19825 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19825 1 3 'sodium chloride' 'natural abundance' . . . . . . 143 . . mM . . . . 19825 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 19825 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19825 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19825 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 19825 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 19825 1 pressure 1 . atm 19825 1 temperature 298 . K 19825 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19825 _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' . . 19825 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19825 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19825 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19825 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19825 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 19825 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19825 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 19825 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm . . . 0.251449530 . . . . . 19825 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19825 1 N 15 DSS 'methyl protons' . . . . ppm . . . 0.101329118 . . . . . 19825 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 19825 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 19825 1 2 '3D CBCA(CO)NH' . . . 19825 1 3 '3D HNCACB' . . . 19825 1 4 '3D HNCA' . . . 19825 1 5 '3D HN(CO)CA' . . . 19825 1 6 '3D HNCO' . . . 19825 1 7 '3D HCACO' . . . 19825 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.109 0.02 . 1 . . . . . 2 G HN . 19825 1 2 . 1 1 1 1 GLY C C 13 172.261 0.30 . 1 . . . . . 2 G C . 19825 1 3 . 1 1 1 1 GLY CA C 13 43.356 0.30 . 1 . . . . . 2 G CA . 19825 1 4 . 1 1 1 1 GLY N N 15 118.099 0.30 . 1 . . . . . 2 G N . 19825 1 5 . 1 1 2 2 SER H H 1 7.991 0.02 . 1 . . . . . 3 S HN . 19825 1 6 . 1 1 2 2 SER C C 13 173.683 0.30 . 1 . . . . . 3 S C . 19825 1 7 . 1 1 2 2 SER CA C 13 57.358 0.30 . 1 . . . . . 3 S CA . 19825 1 8 . 1 1 2 2 SER CB C 13 63.426 0.30 . 1 . . . . . 3 S CB . 19825 1 9 . 1 1 2 2 SER N N 15 116.247 0.30 . 1 . . . . . 3 S N . 19825 1 10 . 1 1 3 3 HIS H H 1 8.336 0.02 . 1 . . . . . 4 H HN . 19825 1 11 . 1 1 3 3 HIS C C 13 174.049 0.30 . 1 . . . . . 4 H C . 19825 1 12 . 1 1 3 3 HIS CA C 13 54.812 0.30 . 1 . . . . . 4 H CA . 19825 1 13 . 1 1 3 3 HIS CB C 13 33.480 0.30 . 1 . . . . . 4 H CB . 19825 1 14 . 1 1 3 3 HIS N N 15 118.855 0.30 . 1 . . . . . 4 H N . 19825 1 15 . 1 1 4 4 SER H H 1 9.452 0.02 . 1 . . . . . 5 S HN . 19825 1 16 . 1 1 4 4 SER C C 13 172.570 0.30 . 1 . . . . . 5 S C . 19825 1 17 . 1 1 4 4 SER CA C 13 57.123 0.30 . 1 . . . . . 5 S CA . 19825 1 18 . 1 1 4 4 SER CB C 13 66.956 0.30 . 1 . . . . . 5 S CB . 19825 1 19 . 1 1 4 4 SER N N 15 116.532 0.30 . 1 . . . . . 5 S N . 19825 1 20 . 1 1 5 5 MET H H 1 8.881 0.02 . 1 . . . . . 6 M HN . 19825 1 21 . 1 1 5 5 MET C C 13 175.966 0.30 . 1 . . . . . 6 M C . 19825 1 22 . 1 1 5 5 MET CA C 13 54.562 0.30 . 1 . . . . . 6 M CA . 19825 1 23 . 1 1 5 5 MET CB C 13 38.541 0.30 . 1 . . . . . 6 M CB . 19825 1 24 . 1 1 5 5 MET N N 15 122.780 0.30 . 1 . . . . . 6 M N . 19825 1 25 . 1 1 6 6 ARG H H 1 9.088 0.02 . 1 . . . . . 7 R HN . 19825 1 26 . 1 1 6 6 ARG C C 13 174.423 0.30 . 1 . . . . . 7 R C . 19825 1 27 . 1 1 6 6 ARG CA C 13 53.365 0.30 . 1 . . . . . 7 R CA . 19825 1 28 . 1 1 6 6 ARG CB C 13 35.668 0.30 . 1 . . . . . 7 R CB . 19825 1 29 . 1 1 6 6 ARG N N 15 126.283 0.30 . 1 . . . . . 7 R N . 19825 1 30 . 1 1 7 7 TYR H H 1 8.148 0.02 . 1 . . . . . 8 Y HN . 19825 1 31 . 1 1 7 7 TYR C C 13 173.733 0.30 . 1 . . . . . 8 Y C . 19825 1 32 . 1 1 7 7 TYR CA C 13 57.040 0.30 . 1 . . . . . 8 Y CA . 19825 1 33 . 1 1 7 7 TYR CB C 13 41.859 0.30 . 1 . . . . . 8 Y CB . 19825 1 34 . 1 1 7 7 TYR N N 15 118.447 0.30 . 1 . . . . . 8 Y N . 19825 1 35 . 1 1 8 8 PHE H H 1 8.919 0.02 . 1 . . . . . 9 F HN . 19825 1 36 . 1 1 8 8 PHE C C 13 176.232 0.30 . 1 . . . . . 9 F C . 19825 1 37 . 1 1 8 8 PHE CA C 13 55.809 0.30 . 1 . . . . . 9 F CA . 19825 1 38 . 1 1 8 8 PHE CB C 13 38.950 0.30 . 1 . . . . . 9 F CB . 19825 1 39 . 1 1 8 8 PHE N N 15 117.146 0.30 . 1 . . . . . 9 F N . 19825 1 40 . 1 1 9 9 TYR H H 1 10.393 0.02 . 1 . . . . . 10 Y HN . 19825 1 41 . 1 1 9 9 TYR C C 13 175.737 0.30 . 1 . . . . . 10 Y C . 19825 1 42 . 1 1 9 9 TYR CA C 13 52.101 0.30 . 1 . . . . . 10 Y CA . 19825 1 43 . 1 1 9 9 TYR CB C 13 39.299 0.30 . 1 . . . . . 10 Y CB . 19825 1 44 . 1 1 9 9 TYR N N 15 124.202 0.30 . 1 . . . . . 10 Y N . 19825 1 45 . 1 1 10 10 THR H H 1 9.126 0.02 . 1 . . . . . 11 T HN . 19825 1 46 . 1 1 10 10 THR C C 13 172.088 0.30 . 1 . . . . . 11 T C . 19825 1 47 . 1 1 10 10 THR CA C 13 63.243 0.30 . 1 . . . . . 11 T CA . 19825 1 48 . 1 1 10 10 THR CB C 13 69.710 0.30 . 1 . . . . . 11 T CB . 19825 1 49 . 1 1 10 10 THR N N 15 119.383 0.30 . 1 . . . . . 11 T N . 19825 1 50 . 1 1 11 11 ALA H H 1 9.352 0.02 . 1 . . . . . 12 A HN . 19825 1 51 . 1 1 11 11 ALA C C 13 175.529 0.30 . 1 . . . . . 12 A C . 19825 1 52 . 1 1 11 11 ALA CA C 13 49.224 0.30 . 1 . . . . . 12 A CA . 19825 1 53 . 1 1 11 11 ALA CB C 13 21.804 0.30 . 1 . . . . . 12 A CB . 19825 1 54 . 1 1 11 11 ALA N N 15 128.944 0.30 . 1 . . . . . 12 A N . 19825 1 55 . 1 1 12 12 MET H H 1 9.088 0.02 . 1 . . . . . 13 M HN . 19825 1 56 . 1 1 12 12 MET C C 13 175.277 0.30 . 1 . . . . . 13 M C . 19825 1 57 . 1 1 12 12 MET CA C 13 52.883 0.30 . 1 . . . . . 13 M CA . 19825 1 58 . 1 1 12 12 MET CB C 13 36.118 0.30 . 1 . . . . . 13 M CB . 19825 1 59 . 1 1 12 12 MET N N 15 120.759 0.30 . 1 . . . . . 13 M N . 19825 1 60 . 1 1 13 13 SER H H 1 9.304 0.02 . 1 . . . . . 14 S HN . 19825 1 61 . 1 1 13 13 SER C C 13 173.504 0.30 . 1 . . . . . 14 S C . 19825 1 62 . 1 1 13 13 SER CA C 13 56.059 0.30 . 1 . . . . . 14 S CA . 19825 1 63 . 1 1 13 13 SER CB C 13 64.668 0.30 . 1 . . . . . 14 S CB . 19825 1 64 . 1 1 13 13 SER N N 15 119.617 0.30 . 1 . . . . . 14 S N . 19825 1 65 . 1 1 14 14 ARG H H 1 9.498 0.02 . 1 . . . . . 15 R HN . 19825 1 66 . 1 1 14 14 ARG C C 13 172.290 0.30 . 1 . . . . . 15 R C . 19825 1 67 . 1 1 14 14 ARG CA C 13 52.667 0.30 . 1 . . . . . 15 R CA . 19825 1 68 . 1 1 14 14 ARG CB C 13 29.369 0.30 . 1 . . . . . 15 R CB . 19825 1 69 . 1 1 14 14 ARG N N 15 119.873 0.30 . 1 . . . . . 15 R N . 19825 1 70 . 1 1 17 17 ARG H H 1 8.405 0.02 . 1 . . . . . 18 R HN . 19825 1 71 . 1 1 17 17 ARG C C 13 175.838 0.30 . 1 . . . . . 18 R C . 19825 1 72 . 1 1 17 17 ARG CA C 13 54.862 0.30 . 1 . . . . . 18 R CA . 19825 1 73 . 1 1 17 17 ARG CB C 13 30.377 0.30 . 1 . . . . . 18 R CB . 19825 1 74 . 1 1 17 17 ARG N N 15 120.591 0.30 . 1 . . . . . 18 R N . 19825 1 75 . 1 1 18 18 GLY H H 1 7.952 0.02 . 1 . . . . . 19 G HN . 19825 1 76 . 1 1 18 18 GLY C C 13 173.748 0.30 . 1 . . . . . 19 G C . 19825 1 77 . 1 1 18 18 GLY CA C 13 44.169 0.30 . 1 . . . . . 19 G CA . 19825 1 78 . 1 1 18 18 GLY N N 15 108.033 0.30 . 1 . . . . . 19 G N . 19825 1 79 . 1 1 19 19 GLU H H 1 8.490 0.02 . 1 . . . . . 20 E HN . 19825 1 80 . 1 1 19 19 GLU C C 13 174.947 0.30 . 1 . . . . . 20 E C . 19825 1 81 . 1 1 19 19 GLU CA C 13 54.263 0.30 . 1 . . . . . 20 E CA . 19825 1 82 . 1 1 19 19 GLU CB C 13 28.981 0.30 . 1 . . . . . 20 E CB . 19825 1 83 . 1 1 19 19 GLU N N 15 120.776 0.30 . 1 . . . . . 20 E N . 19825 1 84 . 1 1 21 21 ARG H H 1 8.378 0.02 . 1 . . . . . 22 R HN . 19825 1 85 . 1 1 21 21 ARG C C 13 173.481 0.30 . 1 . . . . . 22 R C . 19825 1 86 . 1 1 21 21 ARG CA C 13 54.444 0.30 . 1 . . . . . 22 R CA . 19825 1 87 . 1 1 21 21 ARG CB C 13 32.966 0.30 . 1 . . . . . 22 R CB . 19825 1 88 . 1 1 21 21 ARG N N 15 125.388 0.30 . 1 . . . . . 22 R N . 19825 1 89 . 1 1 22 22 PHE H H 1 9.411 0.02 . 1 . . . . . 23 F HN . 19825 1 90 . 1 1 22 22 PHE C C 13 172.282 0.30 . 1 . . . . . 23 F C . 19825 1 91 . 1 1 22 22 PHE CA C 13 56.501 0.30 . 1 . . . . . 23 F CA . 19825 1 92 . 1 1 22 22 PHE CB C 13 43.043 0.30 . 1 . . . . . 23 F CB . 19825 1 93 . 1 1 22 22 PHE N N 15 129.380 0.30 . 1 . . . . . 23 F N . 19825 1 94 . 1 1 23 23 ILE H H 1 8.592 0.02 . 1 . . . . . 24 I HN . 19825 1 95 . 1 1 23 23 ILE C C 13 173.532 0.30 . 1 . . . . . 24 I C . 19825 1 96 . 1 1 23 23 ILE CA C 13 58.321 0.30 . 1 . . . . . 24 I CA . 19825 1 97 . 1 1 23 23 ILE CB C 13 41.355 0.30 . 1 . . . . . 24 I CB . 19825 1 98 . 1 1 23 23 ILE N N 15 126.928 0.30 . 1 . . . . . 24 I N . 19825 1 99 . 1 1 24 24 ALA H H 1 8.907 0.02 . 1 . . . . . 25 A HN . 19825 1 100 . 1 1 24 24 ALA C C 13 176.463 0.30 . 1 . . . . . 25 A C . 19825 1 101 . 1 1 24 24 ALA CA C 13 49.258 0.30 . 1 . . . . . 25 A CA . 19825 1 102 . 1 1 24 24 ALA CB C 13 24.947 0.30 . 1 . . . . . 25 A CB . 19825 1 103 . 1 1 24 24 ALA N N 15 126.005 0.30 . 1 . . . . . 25 A N . 19825 1 104 . 1 1 25 25 VAL H H 1 8.760 0.02 . 1 . . . . . 26 V HN . 19825 1 105 . 1 1 25 25 VAL C C 13 174.588 0.30 . 1 . . . . . 26 V C . 19825 1 106 . 1 1 25 25 VAL CA C 13 59.285 0.30 . 1 . . . . . 26 V CA . 19825 1 107 . 1 1 25 25 VAL CB C 13 35.730 0.30 . 1 . . . . . 26 V CB . 19825 1 108 . 1 1 25 25 VAL N N 15 112.966 0.30 . 1 . . . . . 26 V N . 19825 1 109 . 1 1 26 26 GLY H H 1 7.257 0.02 . 1 . . . . . 27 G HN . 19825 1 110 . 1 1 26 26 GLY C C 13 171.879 0.30 . 1 . . . . . 27 G C . 19825 1 111 . 1 1 26 26 GLY N N 15 108.456 0.30 . 1 . . . . . 27 G N . 19825 1 112 . 1 1 27 27 TYR H H 1 9.679 0.02 . 1 . . . . . 28 Y HN . 19825 1 113 . 1 1 27 27 TYR C C 13 176.401 0.30 . 1 . . . . . 28 Y C . 19825 1 114 . 1 1 27 27 TYR CB C 13 43.139 0.30 . 1 . . . . . 28 Y CB . 19825 1 115 . 1 1 27 27 TYR N N 15 125.353 0.30 . 1 . . . . . 28 Y N . 19825 1 116 . 1 1 28 28 VAL H H 1 9.052 0.02 . 1 . . . . . 29 V HN . 19825 1 117 . 1 1 28 28 VAL C C 13 175.966 0.30 . 1 . . . . . 29 V C . 19825 1 118 . 1 1 28 28 VAL CA C 13 62.062 0.30 . 1 . . . . . 29 V CA . 19825 1 119 . 1 1 28 28 VAL CB C 13 32.433 0.30 . 1 . . . . . 29 V CB . 19825 1 120 . 1 1 29 29 ASP H H 1 9.546 0.02 . 1 . . . . . 30 D HN . 19825 1 121 . 1 1 29 29 ASP C C 13 175.622 0.30 . 1 . . . . . 30 D C . 19825 1 122 . 1 1 29 29 ASP CA C 13 55.959 0.30 . 1 . . . . . 30 D CA . 19825 1 123 . 1 1 29 29 ASP CB C 13 37.437 0.30 . 1 . . . . . 30 D CB . 19825 1 124 . 1 1 29 29 ASP N N 15 127.152 0.30 . 1 . . . . . 30 D N . 19825 1 125 . 1 1 34 34 VAL H H 1 6.718 0.02 . 1 . . . . . 35 V HN . 19825 1 126 . 1 1 34 34 VAL CB C 13 36.894 0.30 . 1 . . . . . 35 V CB . 19825 1 127 . 1 1 34 34 VAL N N 15 117.910 0.30 . 1 . . . . . 35 V N . 19825 1 128 . 1 1 35 35 ARG H H 1 8.491 0.02 . 1 . . . . . 36 R HN . 19825 1 129 . 1 1 35 35 ARG C C 13 173.001 0.30 . 1 . . . . . 36 R C . 19825 1 130 . 1 1 35 35 ARG CA C 13 54.429 0.30 . 1 . . . . . 36 R CA . 19825 1 131 . 1 1 35 35 ARG CB C 13 33.961 0.30 . 1 . . . . . 36 R CB . 19825 1 132 . 1 1 35 35 ARG N N 15 121.642 0.30 . 1 . . . . . 36 R N . 19825 1 133 . 1 1 36 36 PHE H H 1 8.978 0.02 . 1 . . . . . 37 F HN . 19825 1 134 . 1 1 36 36 PHE C C 13 172.282 0.30 . 1 . . . . . 37 F C . 19825 1 135 . 1 1 36 36 PHE CA C 13 57.964 0.30 . 1 . . . . . 37 F CA . 19825 1 136 . 1 1 36 36 PHE CB C 13 43.400 0.30 . 1 . . . . . 37 F CB . 19825 1 137 . 1 1 36 36 PHE N N 15 122.825 0.30 . 1 . . . . . 37 F N . 19825 1 138 . 1 1 37 37 ASP H H 1 7.777 0.02 . 1 . . . . . 38 D HN . 19825 1 139 . 1 1 37 37 ASP C C 13 176.211 0.30 . 1 . . . . . 38 D C . 19825 1 140 . 1 1 37 37 ASP CA C 13 51.546 0.30 . 1 . . . . . 38 D CA . 19825 1 141 . 1 1 37 37 ASP CB C 13 42.519 0.30 . 1 . . . . . 38 D CB . 19825 1 142 . 1 1 37 37 ASP N N 15 128.516 0.30 . 1 . . . . . 38 D N . 19825 1 143 . 1 1 38 38 SER H H 1 9.452 0.02 . 1 . . . . . 39 S HN . 19825 1 144 . 1 1 38 38 SER C C 13 174.946 0.30 . 1 . . . . . 39 S C . 19825 1 145 . 1 1 38 38 SER CA C 13 61.011 0.30 . 1 . . . . . 39 S CA . 19825 1 146 . 1 1 38 38 SER CB C 13 62.767 0.30 . 1 . . . . . 39 S CB . 19825 1 147 . 1 1 38 38 SER N N 15 123.037 0.30 . 1 . . . . . 39 S N . 19825 1 148 . 1 1 39 39 ASP H H 1 8.361 0.02 . 1 . . . . . 40 D HN . 19825 1 149 . 1 1 39 39 ASP C C 13 176.121 0.30 . 1 . . . . . 40 D C . 19825 1 150 . 1 1 39 39 ASP CA C 13 53.738 0.30 . 1 . . . . . 40 D CA . 19825 1 151 . 1 1 39 39 ASP CB C 13 40.093 0.30 . 1 . . . . . 40 D CB . 19825 1 152 . 1 1 39 39 ASP N N 15 123.333 0.30 . 1 . . . . . 40 D N . 19825 1 153 . 1 1 40 40 ALA H H 1 7.548 0.02 . 1 . . . . . 41 A HN . 19825 1 154 . 1 1 40 40 ALA C C 13 176.670 0.30 . 1 . . . . . 41 A C . 19825 1 155 . 1 1 40 40 ALA CA C 13 51.602 0.30 . 1 . . . . . 41 A CA . 19825 1 156 . 1 1 40 40 ALA N N 15 124.357 0.30 . 1 . . . . . 41 A N . 19825 1 157 . 1 1 41 41 ALA H H 1 8.403 0.02 . 1 . . . . . 42 A HN . 19825 1 158 . 1 1 41 41 ALA C C 13 179.320 0.30 . 1 . . . . . 42 A C . 19825 1 159 . 1 1 41 41 ALA CA C 13 54.446 0.30 . 1 . . . . . 42 A CA . 19825 1 160 . 1 1 41 41 ALA CB C 13 17.422 0.30 . 1 . . . . . 42 A CB . 19825 1 161 . 1 1 41 41 ALA N N 15 123.875 0.30 . 1 . . . . . 42 A N . 19825 1 162 . 1 1 42 42 SER H H 1 7.974 0.02 . 1 . . . . . 43 S HN . 19825 1 163 . 1 1 42 42 SER C C 13 176.398 0.30 . 1 . . . . . 43 S C . 19825 1 164 . 1 1 42 42 SER CA C 13 53.864 0.30 . 1 . . . . . 43 S CA . 19825 1 165 . 1 1 42 42 SER N N 15 111.170 0.30 . 1 . . . . . 43 S N . 19825 1 166 . 1 1 44 44 ARG H H 1 8.143 0.02 . 1 . . . . . 45 R HN . 19825 1 167 . 1 1 44 44 ARG C C 13 174.552 0.30 . 1 . . . . . 45 R C . 19825 1 168 . 1 1 44 44 ARG CA C 13 54.213 0.30 . 1 . . . . . 45 R CA . 19825 1 169 . 1 1 44 44 ARG CB C 13 32.162 0.30 . 1 . . . . . 45 R CB . 19825 1 170 . 1 1 45 45 THR H H 1 8.156 0.02 . 1 . . . . . 46 T HN . 19825 1 171 . 1 1 45 45 THR C C 13 173.766 0.30 . 1 . . . . . 46 T C . 19825 1 172 . 1 1 45 45 THR CA C 13 64.474 0.30 . 1 . . . . . 46 T CA . 19825 1 173 . 1 1 45 45 THR CB C 13 68.003 0.30 . 1 . . . . . 46 T CB . 19825 1 174 . 1 1 45 45 THR N N 15 120.536 0.30 . 1 . . . . . 46 T N . 19825 1 175 . 1 1 46 46 GLU H H 1 9.185 0.02 . 1 . . . . . 47 E HN . 19825 1 176 . 1 1 46 46 GLU C C 13 174.071 0.30 . 1 . . . . . 47 E C . 19825 1 177 . 1 1 46 46 GLU CA C 13 52.567 0.30 . 1 . . . . . 47 E CA . 19825 1 178 . 1 1 46 46 GLU CB C 13 32.006 0.30 . 1 . . . . . 47 E CB . 19825 1 179 . 1 1 46 46 GLU N N 15 125.949 0.30 . 1 . . . . . 47 E N . 19825 1 180 . 1 1 48 48 ARG H H 1 7.793 0.02 . 1 . . . . . 49 R HN . 19825 1 181 . 1 1 48 48 ARG C C 13 173.468 0.30 . 1 . . . . . 49 R C . 19825 1 182 . 1 1 48 48 ARG CA C 13 52.467 0.30 . 1 . . . . . 49 R CA . 19825 1 183 . 1 1 48 48 ARG CB C 13 30.843 0.30 . 1 . . . . . 49 R CB . 19825 1 184 . 1 1 48 48 ARG N N 15 116.924 0.30 . 1 . . . . . 49 R N . 19825 1 185 . 1 1 49 49 ALA H H 1 6.888 0.02 . 1 . . . . . 50 A HN . 19825 1 186 . 1 1 49 49 ALA C C 13 176.555 0.30 . 1 . . . . . 50 A C . 19825 1 187 . 1 1 49 49 ALA CA C 13 49.041 0.30 . 1 . . . . . 50 A CA . 19825 1 188 . 1 1 49 49 ALA CB C 13 18.740 0.30 . 1 . . . . . 50 A CB . 19825 1 189 . 1 1 49 49 ALA N N 15 119.366 0.30 . 1 . . . . . 50 A N . 19825 1 190 . 1 1 52 52 ILE H H 1 7.773 0.02 . 1 . . . . . 53 I HN . 19825 1 191 . 1 1 52 52 ILE C C 13 176.455 0.30 . 1 . . . . . 53 I C . 19825 1 192 . 1 1 52 52 ILE CA C 13 65.366 0.30 . 1 . . . . . 53 I CA . 19825 1 193 . 1 1 52 52 ILE CB C 13 35.435 0.30 . 1 . . . . . 53 I CB . 19825 1 194 . 1 1 52 52 ILE N N 15 123.591 0.30 . 1 . . . . . 53 I N . 19825 1 195 . 1 1 53 53 GLU H H 1 7.266 0.02 . 1 . . . . . 54 E HN . 19825 1 196 . 1 1 53 53 GLU C C 13 176.879 0.30 . 1 . . . . . 54 E C . 19825 1 197 . 1 1 53 53 GLU CA C 13 58.787 0.30 . 1 . . . . . 54 E CA . 19825 1 198 . 1 1 53 53 GLU CB C 13 28.593 0.30 . 1 . . . . . 54 E CB . 19825 1 199 . 1 1 53 53 GLU N N 15 120.841 0.30 . 1 . . . . . 54 E N . 19825 1 200 . 1 1 54 54 GLN H H 1 7.615 0.02 . 1 . . . . . 55 Q HN . 19825 1 201 . 1 1 54 54 GLN C C 13 177.115 0.30 . 1 . . . . . 55 Q C . 19825 1 202 . 1 1 54 54 GLN CA C 13 55.810 0.30 . 1 . . . . . 55 Q CA . 19825 1 203 . 1 1 54 54 GLN CB C 13 28.632 0.30 . 1 . . . . . 55 Q CB . 19825 1 204 . 1 1 54 54 GLN N N 15 113.326 0.30 . 1 . . . . . 55 Q N . 19825 1 205 . 1 1 55 55 GLU H H 1 7.711 0.02 . 1 . . . . . 56 E HN . 19825 1 206 . 1 1 55 55 GLU C C 13 178.156 0.30 . 1 . . . . . 56 E C . 19825 1 207 . 1 1 55 55 GLU CA C 13 56.325 0.30 . 1 . . . . . 56 E CA . 19825 1 208 . 1 1 55 55 GLU CB C 13 28.670 0.30 . 1 . . . . . 56 E CB . 19825 1 209 . 1 1 55 55 GLU N N 15 121.006 0.30 . 1 . . . . . 56 E N . 19825 1 210 . 1 1 56 56 GLY H H 1 8.821 0.02 . 1 . . . . . 57 G HN . 19825 1 211 . 1 1 56 56 GLY C C 13 172.391 0.30 . 1 . . . . . 57 G C . 19825 1 212 . 1 1 56 56 GLY CA C 13 44.651 0.30 . 1 . . . . . 57 G CA . 19825 1 213 . 1 1 56 56 GLY N N 15 109.648 0.30 . 1 . . . . . 57 G N . 19825 1 214 . 1 1 58 58 GLU H H 1 9.121 0.02 . 1 . . . . . 59 E HN . 19825 1 215 . 1 1 58 58 GLU C C 13 179.162 0.30 . 1 . . . . . 59 E C . 19825 1 216 . 1 1 58 58 GLU CA C 13 59.202 0.30 . 1 . . . . . 59 E CA . 19825 1 217 . 1 1 58 58 GLU CB C 13 27.779 0.30 . 1 . . . . . 59 E CB . 19825 1 218 . 1 1 58 58 GLU N N 15 117.684 0.30 . 1 . . . . . 59 E N . 19825 1 219 . 1 1 59 59 TYR H H 1 7.868 0.02 . 1 . . . . . 60 Y HN . 19825 1 220 . 1 1 59 59 TYR C C 13 179.312 0.30 . 1 . . . . . 60 Y C . 19825 1 221 . 1 1 59 59 TYR CA C 13 61.126 0.30 . 1 . . . . . 60 Y CA . 19825 1 222 . 1 1 59 59 TYR CB C 13 37.980 0.30 . 1 . . . . . 60 Y CB . 19825 1 223 . 1 1 59 59 TYR N N 15 122.547 0.30 . 1 . . . . . 60 Y N . 19825 1 224 . 1 1 60 60 TRP H H 1 7.239 0.02 . 1 . . . . . 61 W HN . 19825 1 225 . 1 1 60 60 TRP C C 13 178.509 0.30 . 1 . . . . . 61 W C . 19825 1 226 . 1 1 60 60 TRP CA C 13 59.428 0.30 . 1 . . . . . 61 W CA . 19825 1 227 . 1 1 60 60 TRP CB C 13 28.205 0.30 . 1 . . . . . 61 W CB . 19825 1 228 . 1 1 61 61 ASP H H 1 8.825 0.02 . 1 . . . . . 62 D HN . 19825 1 229 . 1 1 61 61 ASP C C 13 178.523 0.30 . 1 . . . . . 62 D C . 19825 1 230 . 1 1 61 61 ASP CA C 13 57.444 0.30 . 1 . . . . . 62 D CA . 19825 1 231 . 1 1 61 61 ASP CB C 13 40.307 0.30 . 1 . . . . . 62 D CB . 19825 1 232 . 1 1 61 61 ASP N N 15 121.441 0.30 . 1 . . . . . 62 D N . 19825 1 233 . 1 1 62 62 ARG C C 13 179.148 0.30 . 1 . . . . . 63 R C . 19825 1 234 . 1 1 62 62 ARG CA C 13 58.620 0.30 . 1 . . . . . 63 R CA . 19825 1 235 . 1 1 62 62 ARG CB C 13 28.981 0.30 . 1 . . . . . 63 R CB . 19825 1 236 . 1 1 62 62 ARG N N 15 120.640 0.30 . 1 . . . . . 63 R N . 19825 1 237 . 1 1 63 63 ASN H H 1 7.764 0.02 . 1 . . . . . 64 N HN . 19825 1 238 . 1 1 63 63 ASN C C 13 179.844 0.30 . 1 . . . . . 64 N C . 19825 1 239 . 1 1 63 63 ASN CA C 13 57.223 0.30 . 1 . . . . . 64 N CA . 19825 1 240 . 1 1 63 63 ASN CB C 13 39.221 0.30 . 1 . . . . . 64 N CB . 19825 1 241 . 1 1 63 63 ASN N N 15 116.082 0.30 . 1 . . . . . 64 N N . 19825 1 242 . 1 1 65 65 GLN H H 1 8.440 0.02 . 1 . . . . . 66 Q HN . 19825 1 243 . 1 1 65 65 GLN C C 13 179.234 0.30 . 1 . . . . . 66 Q C . 19825 1 244 . 1 1 65 65 GLN CB C 13 27.429 0.30 . 1 . . . . . 66 Q CB . 19825 1 245 . 1 1 65 65 GLN N N 15 121.607 0.30 . 1 . . . . . 66 Q N . 19825 1 246 . 1 1 66 66 ILE H H 1 7.657 0.02 . 1 . . . . . 67 I HN . 19825 1 247 . 1 1 66 66 ILE C C 13 179.097 0.30 . 1 . . . . . 67 I C . 19825 1 248 . 1 1 66 66 ILE CA C 13 64.990 0.30 . 1 . . . . . 67 I CA . 19825 1 249 . 1 1 66 66 ILE CB C 13 37.282 0.30 . 1 . . . . . 67 I CB . 19825 1 250 . 1 1 66 66 ILE N N 15 121.308 0.30 . 1 . . . . . 67 I N . 19825 1 251 . 1 1 67 67 PHE H H 1 8.421 0.02 . 1 . . . . . 68 F HN . 19825 1 252 . 1 1 67 67 PHE C C 13 178.933 0.30 . 1 . . . . . 68 F C . 19825 1 253 . 1 1 67 67 PHE CA C 13 59.552 0.30 . 1 . . . . . 68 F CA . 19825 1 254 . 1 1 67 67 PHE CB C 13 33.752 0.30 . 1 . . . . . 68 F CB . 19825 1 255 . 1 1 67 67 PHE N N 15 120.422 0.30 . 1 . . . . . 68 F N . 19825 1 256 . 1 1 68 68 LYS H H 1 8.993 0.02 . 1 . . . . . 69 K HN . 19825 1 257 . 1 1 68 68 LYS C C 13 180.347 0.30 . 1 . . . . . 69 K C . 19825 1 258 . 1 1 68 68 LYS CA C 13 60.582 0.30 . 1 . . . . . 69 K CA . 19825 1 259 . 1 1 68 68 LYS CB C 13 31.308 0.30 . 1 . . . . . 69 K CB . 19825 1 260 . 1 1 68 68 LYS N N 15 124.120 0.30 . 1 . . . . . 69 K N . 19825 1 261 . 1 1 69 69 THR H H 1 8.005 0.02 . 1 . . . . . 70 T HN . 19825 1 262 . 1 1 69 69 THR C C 13 176.825 0.30 . 1 . . . . . 70 T C . 19825 1 263 . 1 1 69 69 THR CA C 13 66.556 0.30 . 1 . . . . . 70 T CA . 19825 1 264 . 1 1 69 69 THR CB C 13 67.538 0.30 . 1 . . . . . 70 T CB . 19825 1 265 . 1 1 69 69 THR N N 15 118.970 0.30 . 1 . . . . . 70 T N . 19825 1 266 . 1 1 70 70 ASN H H 1 8.552 0.02 . 1 . . . . . 71 N HN . 19825 1 267 . 1 1 70 70 ASN C C 13 176.548 0.30 . 1 . . . . . 71 N C . 19825 1 268 . 1 1 70 70 ASN CA C 13 55.078 0.30 . 1 . . . . . 71 N CA . 19825 1 269 . 1 1 70 70 ASN CB C 13 37.747 0.30 . 1 . . . . . 71 N CB . 19825 1 270 . 1 1 70 70 ASN N N 15 120.782 0.30 . 1 . . . . . 71 N N . 19825 1 271 . 1 1 71 71 THR H H 1 7.853 0.02 . 1 . . . . . 72 T HN . 19825 1 272 . 1 1 71 71 THR C C 13 175.809 0.30 . 1 . . . . . 72 T C . 19825 1 273 . 1 1 71 71 THR CA C 13 67.550 0.30 . 1 . . . . . 72 T CA . 19825 1 274 . 1 1 71 71 THR CB C 13 68.344 0.30 . 1 . . . . . 72 T CB . 19825 1 275 . 1 1 71 71 THR N N 15 119.318 0.30 . 1 . . . . . 72 T N . 19825 1 276 . 1 1 72 72 GLN H H 1 6.965 0.02 . 1 . . . . . 73 Q HN . 19825 1 277 . 1 1 72 72 GLN C C 13 178.911 0.30 . 1 . . . . . 73 Q C . 19825 1 278 . 1 1 72 72 GLN CA C 13 58.388 0.30 . 1 . . . . . 73 Q CA . 19825 1 279 . 1 1 72 72 GLN CB C 13 27.119 0.30 . 1 . . . . . 73 Q CB . 19825 1 280 . 1 1 72 72 GLN N N 15 120.524 0.30 . 1 . . . . . 73 Q N . 19825 1 281 . 1 1 73 73 THR H H 1 8.849 0.02 . 1 . . . . . 74 T HN . 19825 1 282 . 1 1 73 73 THR C C 13 179.198 0.30 . 1 . . . . . 74 T C . 19825 1 283 . 1 1 73 73 THR CA C 13 65.472 0.30 . 1 . . . . . 74 T CA . 19825 1 284 . 1 1 73 73 THR CB C 13 67.616 0.30 . 1 . . . . . 74 T CB . 19825 1 285 . 1 1 73 73 THR N N 15 118.282 0.30 . 1 . . . . . 74 T N . 19825 1 286 . 1 1 74 74 TYR H H 1 9.146 0.02 . 1 . . . . . 75 Y HN . 19825 1 287 . 1 1 74 74 TYR C C 13 177.733 0.30 . 1 . . . . . 75 Y C . 19825 1 288 . 1 1 74 74 TYR CA C 13 64.524 0.30 . 1 . . . . . 75 Y CA . 19825 1 289 . 1 1 74 74 TYR CB C 13 36.157 0.30 . 1 . . . . . 75 Y CB . 19825 1 290 . 1 1 74 74 TYR N N 15 122.672 0.30 . 1 . . . . . 75 Y N . 19825 1 291 . 1 1 75 75 ARG H H 1 7.872 0.02 . 1 . . . . . 76 R HN . 19825 1 292 . 1 1 75 75 ARG C C 13 179.133 0.30 . 1 . . . . . 76 R C . 19825 1 293 . 1 1 75 75 ARG CA C 13 60.749 0.30 . 1 . . . . . 76 R CA . 19825 1 294 . 1 1 75 75 ARG CB C 13 28.515 0.30 . 1 . . . . . 76 R CB . 19825 1 295 . 1 1 75 75 ARG N N 15 122.963 0.30 . 1 . . . . . 76 R N . 19825 1 296 . 1 1 76 76 GLU H H 1 7.688 0.02 . 1 . . . . . 77 E HN . 19825 1 297 . 1 1 76 76 GLU C C 13 178.796 0.30 . 1 . . . . . 77 E C . 19825 1 298 . 1 1 76 76 GLU CA C 13 58.587 0.30 . 1 . . . . . 77 E CA . 19825 1 299 . 1 1 76 76 GLU CB C 13 28.554 0.30 . 1 . . . . . 77 E CB . 19825 1 300 . 1 1 76 76 GLU N N 15 120.195 0.30 . 1 . . . . . 77 E N . 19825 1 301 . 1 1 77 77 SER H H 1 8.416 0.02 . 1 . . . . . 78 S HN . 19825 1 302 . 1 1 77 77 SER CA C 13 63.011 0.30 . 1 . . . . . 78 S CA . 19825 1 303 . 1 1 77 77 SER CB C 13 60.788 0.30 . 1 . . . . . 78 S CB . 19825 1 304 . 1 1 77 77 SER N N 15 116.144 0.30 . 1 . . . . . 78 S N . 19825 1 305 . 1 1 82 82 ARG H H 1 7.115 0.02 . 1 . . . . . 83 R HN . 19825 1 306 . 1 1 82 82 ARG C C 13 179.615 0.30 . 1 . . . . . 83 R C . 19825 1 307 . 1 1 82 82 ARG CA C 13 58.803 0.30 . 1 . . . . . 83 R CA . 19825 1 308 . 1 1 82 82 ARG CB C 13 28.283 0.30 . 1 . . . . . 83 R CB . 19825 1 309 . 1 1 82 82 ARG N N 15 116.552 0.30 . 1 . . . . . 83 R N . 19825 1 310 . 1 1 83 83 GLY H H 1 7.197 0.02 . 1 . . . . . 84 G HN . 19825 1 311 . 1 1 83 83 GLY C C 13 177.791 0.30 . 1 . . . . . 84 G C . 19825 1 312 . 1 1 83 83 GLY CA C 13 46.480 0.30 . 1 . . . . . 84 G CA . 19825 1 313 . 1 1 83 83 GLY N N 15 105.306 0.30 . 1 . . . . . 84 G N . 19825 1 314 . 1 1 84 84 TYR H H 1 8.275 0.02 . 1 . . . . . 85 Y HN . 19825 1 315 . 1 1 84 84 TYR C C 13 179.233 0.30 . 1 . . . . . 85 Y C . 19825 1 316 . 1 1 84 84 TYR CA C 13 56.775 0.30 . 1 . . . . . 85 Y CA . 19825 1 317 . 1 1 84 84 TYR CB C 13 36.623 0.30 . 1 . . . . . 85 Y CB . 19825 1 318 . 1 1 84 84 TYR N N 15 123.471 0.30 . 1 . . . . . 85 Y N . 19825 1 319 . 1 1 85 85 TYR H H 1 7.559 0.02 . 1 . . . . . 86 Y HN . 19825 1 320 . 1 1 85 85 TYR C C 13 174.918 0.30 . 1 . . . . . 86 Y C . 19825 1 321 . 1 1 85 85 TYR CA C 13 58.853 0.30 . 1 . . . . . 86 Y CA . 19825 1 322 . 1 1 85 85 TYR CB C 13 37.941 0.30 . 1 . . . . . 86 Y CB . 19825 1 323 . 1 1 85 85 TYR N N 15 113.151 0.30 . 1 . . . . . 86 Y N . 19825 1 324 . 1 1 86 86 ASN H H 1 7.985 0.02 . 1 . . . . . 87 N HN . 19825 1 325 . 1 1 86 86 ASN C C 13 175.069 0.30 . 1 . . . . . 87 N C . 19825 1 326 . 1 1 86 86 ASN CA C 13 54.096 0.30 . 1 . . . . . 87 N CA . 19825 1 327 . 1 1 86 86 ASN CB C 13 36.623 0.30 . 1 . . . . . 87 N CB . 19825 1 328 . 1 1 86 86 ASN N N 15 119.965 0.30 . 1 . . . . . 87 N N . 19825 1 329 . 1 1 87 87 GLN H H 1 8.606 0.02 . 1 . . . . . 88 Q HN . 19825 1 330 . 1 1 87 87 GLN C C 13 178.481 0.30 . 1 . . . . . 88 Q C . 19825 1 331 . 1 1 87 87 GLN CA C 13 54.529 0.30 . 1 . . . . . 88 Q CA . 19825 1 332 . 1 1 87 87 GLN CB C 13 29.213 0.30 . 1 . . . . . 88 Q CB . 19825 1 333 . 1 1 87 87 GLN N N 15 117.130 0.30 . 1 . . . . . 88 Q N . 19825 1 334 . 1 1 88 88 SER H H 1 8.223 0.02 . 1 . . . . . 89 S HN . 19825 1 335 . 1 1 88 88 SER C C 13 173.683 0.30 . 1 . . . . . 89 S C . 19825 1 336 . 1 1 88 88 SER CA C 13 60.017 0.30 . 1 . . . . . 89 S CA . 19825 1 337 . 1 1 88 88 SER CB C 13 64.590 0.30 . 1 . . . . . 89 S CB . 19825 1 338 . 1 1 88 88 SER N N 15 115.852 0.30 . 1 . . . . . 89 S N . 19825 1 339 . 1 1 90 90 ALA H H 1 7.931 0.02 . 1 . . . . . 91 A HN . 19825 1 340 . 1 1 90 90 ALA C C 13 178.135 0.30 . 1 . . . . . 91 A C . 19825 1 341 . 1 1 90 90 ALA CA C 13 52.733 0.30 . 1 . . . . . 91 A CA . 19825 1 342 . 1 1 90 90 ALA CB C 13 18.779 0.30 . 1 . . . . . 91 A CB . 19825 1 343 . 1 1 90 90 ALA N N 15 120.329 0.30 . 1 . . . . . 91 A N . 19825 1 344 . 1 1 91 91 GLY H H 1 7.267 0.02 . 1 . . . . . 92 G HN . 19825 1 345 . 1 1 91 91 GLY C C 13 172.290 0.30 . 1 . . . . . 92 G C . 19825 1 346 . 1 1 91 91 GLY CA C 13 43.936 0.30 . 1 . . . . . 92 G CA . 19825 1 347 . 1 1 91 91 GLY N N 15 105.360 0.30 . 1 . . . . . 92 G N . 19825 1 348 . 1 1 92 92 SER H H 1 7.941 0.02 . 1 . . . . . 93 S HN . 19825 1 349 . 1 1 92 92 SER C C 13 174.056 0.30 . 1 . . . . . 93 S C . 19825 1 350 . 1 1 92 92 SER CA C 13 56.990 0.30 . 1 . . . . . 93 S CA . 19825 1 351 . 1 1 92 92 SER CB C 13 63.620 0.30 . 1 . . . . . 93 S CB . 19825 1 352 . 1 1 92 92 SER N N 15 116.157 0.30 . 1 . . . . . 93 S N . 19825 1 353 . 1 1 93 93 HIS H H 1 8.175 0.02 . 1 . . . . . 94 H HN . 19825 1 354 . 1 1 93 93 HIS C C 13 173.338 0.30 . 1 . . . . . 94 H C . 19825 1 355 . 1 1 93 93 HIS CA C 13 54.446 0.30 . 1 . . . . . 94 H CA . 19825 1 356 . 1 1 93 93 HIS CB C 13 33.054 0.30 . 1 . . . . . 94 H CB . 19825 1 357 . 1 1 93 93 HIS N N 15 122.232 0.30 . 1 . . . . . 94 H N . 19825 1 358 . 1 1 94 94 ILE H H 1 8.368 0.02 . 1 . . . . . 95 I HN . 19825 1 359 . 1 1 94 94 ILE C C 13 177.084 0.30 . 1 . . . . . 95 I C . 19825 1 360 . 1 1 94 94 ILE CA C 13 59.662 0.30 . 1 . . . . . 95 I CA . 19825 1 361 . 1 1 94 94 ILE CB C 13 43.237 0.30 . 1 . . . . . 95 I CB . 19825 1 362 . 1 1 94 94 ILE N N 15 117.527 0.30 . 1 . . . . . 95 I N . 19825 1 363 . 1 1 95 95 ILE H H 1 9.544 0.02 . 1 . . . . . 96 I HN . 19825 1 364 . 1 1 95 95 ILE C C 13 177.044 0.30 . 1 . . . . . 96 I C . 19825 1 365 . 1 1 95 95 ILE CA C 13 59.884 0.30 . 1 . . . . . 96 I CA . 19825 1 366 . 1 1 95 95 ILE CB C 13 40.657 0.30 . 1 . . . . . 96 I CB . 19825 1 367 . 1 1 95 95 ILE N N 15 128.060 0.30 . 1 . . . . . 96 I N . 19825 1 368 . 1 1 96 96 GLN H H 1 7.844 0.02 . 1 . . . . . 97 Q HN . 19825 1 369 . 1 1 96 96 GLN C C 13 180.246 0.30 . 1 . . . . . 97 Q C . 19825 1 370 . 1 1 96 96 GLN CA C 13 59.219 0.30 . 1 . . . . . 97 Q CA . 19825 1 371 . 1 1 96 96 GLN CB C 13 28.942 0.30 . 1 . . . . . 97 Q CB . 19825 1 372 . 1 1 96 96 GLN N N 15 118.143 0.30 . 1 . . . . . 97 Q N . 19825 1 373 . 1 1 97 97 ARG H H 1 7.606 0.02 . 1 . . . . . 98 R HN . 19825 1 374 . 1 1 97 97 ARG C C 13 180.002 0.30 . 1 . . . . . 98 R C . 19825 1 375 . 1 1 97 97 ARG CA C 13 59.551 0.30 . 1 . . . . . 98 R CA . 19825 1 376 . 1 1 97 97 ARG CB C 13 31.541 0.30 . 1 . . . . . 98 R CB . 19825 1 377 . 1 1 97 97 ARG N N 15 121.196 0.30 . 1 . . . . . 98 R N . 19825 1 378 . 1 1 99 99 TYR H H 1 8.048 0.02 . 1 . . . . . 100 Y HN . 19825 1 379 . 1 1 99 99 TYR C C 13 177.187 0.30 . 1 . . . . . 100 Y C . 19825 1 380 . 1 1 99 99 TYR CA C 13 56.475 0.30 . 1 . . . . . 100 Y CA . 19825 1 381 . 1 1 99 99 TYR N N 15 120.858 0.30 . 1 . . . . . 100 Y N . 19825 1 382 . 1 1 100 100 GLY H H 1 7.278 0.02 . 1 . . . . . 101 G HN . 19825 1 383 . 1 1 100 100 GLY C C 13 170.611 0.30 . 1 . . . . . 101 G C . 19825 1 384 . 1 1 100 100 GLY CA C 13 45.166 0.30 . 1 . . . . . 101 G CA . 19825 1 385 . 1 1 100 100 GLY N N 15 107.822 0.30 . 1 . . . . . 101 G N . 19825 1 386 . 1 1 101 101 CYS H H 1 8.249 0.02 . 1 . . . . . 102 C HN . 19825 1 387 . 1 1 101 101 CYS C C 13 172.003 0.30 . 1 . . . . . 102 C C . 19825 1 388 . 1 1 101 101 CYS CA C 13 52.118 0.30 . 1 . . . . . 102 C CA . 19825 1 389 . 1 1 101 101 CYS CB C 13 47.832 0.30 . 1 . . . . . 102 C CB . 19825 1 390 . 1 1 101 101 CYS N N 15 110.728 0.30 . 1 . . . . . 102 C N . 19825 1 391 . 1 1 102 102 ASP H H 1 8.605 0.02 . 1 . . . . . 103 D HN . 19825 1 392 . 1 1 102 102 ASP C C 13 174.947 0.30 . 1 . . . . . 103 D C . 19825 1 393 . 1 1 102 102 ASP CA C 13 52.500 0.30 . 1 . . . . . 103 D CA . 19825 1 394 . 1 1 102 102 ASP CB C 13 41.587 0.30 . 1 . . . . . 103 D CB . 19825 1 395 . 1 1 102 102 ASP N N 15 121.612 0.30 . 1 . . . . . 103 D N . 19825 1 396 . 1 1 103 103 LEU H H 1 9.227 0.02 . 1 . . . . . 104 L HN . 19825 1 397 . 1 1 103 103 LEU C C 13 177.518 0.30 . 1 . . . . . 104 L C . 19825 1 398 . 1 1 103 103 LEU CA C 13 53.398 0.30 . 1 . . . . . 104 L CA . 19825 1 399 . 1 1 103 103 LEU CB C 13 43.837 0.30 . 1 . . . . . 104 L CB . 19825 1 400 . 1 1 103 103 LEU N N 15 125.623 0.30 . 1 . . . . . 104 L N . 19825 1 401 . 1 1 104 104 GLY H H 1 8.883 0.02 . 1 . . . . . 105 G HN . 19825 1 402 . 1 1 104 104 GLY C C 13 173.741 0.30 . 1 . . . . . 105 G C . 19825 1 403 . 1 1 104 104 GLY CA C 13 43.986 0.30 . 1 . . . . . 105 G CA . 19825 1 404 . 1 1 104 104 GLY N N 15 111.438 0.30 . 1 . . . . . 105 G N . 19825 1 405 . 1 1 106 106 ASP H H 1 8.014 0.02 . 1 . . . . . 107 D HN . 19825 1 406 . 1 1 106 106 ASP C C 13 177.041 0.30 . 1 . . . . . 107 D C . 19825 1 407 . 1 1 106 106 ASP CA C 13 52.297 0.30 . 1 . . . . . 107 D CA . 19825 1 408 . 1 1 106 106 ASP CB C 13 39.472 0.30 . 1 . . . . . 107 D CB . 19825 1 409 . 1 1 106 106 ASP N N 15 115.860 0.30 . 1 . . . . . 107 D N . 19825 1 410 . 1 1 107 107 GLY H H 1 8.139 0.02 . 1 . . . . . 108 G HN . 19825 1 411 . 1 1 107 107 GLY C C 13 172.924 0.30 . 1 . . . . . 108 G C . 19825 1 412 . 1 1 107 107 GLY CA C 13 45.418 0.30 . 1 . . . . . 108 G CA . 19825 1 413 . 1 1 107 107 GLY N N 15 108.268 0.30 . 1 . . . . . 108 G N . 19825 1 414 . 1 1 108 108 ARG H H 1 7.411 0.02 . 1 . . . . . 109 R HN . 19825 1 415 . 1 1 108 108 ARG C C 13 176.010 0.30 . 1 . . . . . 109 R C . 19825 1 416 . 1 1 108 108 ARG CA C 13 53.963 0.30 . 1 . . . . . 109 R CA . 19825 1 417 . 1 1 108 108 ARG CB C 13 30.882 0.30 . 1 . . . . . 109 R CB . 19825 1 418 . 1 1 108 108 ARG N N 15 118.448 0.30 . 1 . . . . . 109 R N . 19825 1 419 . 1 1 109 109 LEU H H 1 8.667 0.02 . 1 . . . . . 110 L HN . 19825 1 420 . 1 1 109 109 LEU C C 13 176.671 0.30 . 1 . . . . . 110 L C . 19825 1 421 . 1 1 109 109 LEU CA C 13 56.309 0.30 . 1 . . . . . 110 L CA . 19825 1 422 . 1 1 109 109 LEU CB C 13 41.432 0.30 . 1 . . . . . 110 L CB . 19825 1 423 . 1 1 109 109 LEU N N 15 121.971 0.30 . 1 . . . . . 110 L N . 19825 1 424 . 1 1 110 110 LEU H H 1 9.316 0.02 . 1 . . . . . 111 L HN . 19825 1 425 . 1 1 110 110 LEU C C 13 176.814 0.30 . 1 . . . . . 111 L C . 19825 1 426 . 1 1 110 110 LEU CA C 13 55.511 0.30 . 1 . . . . . 111 L CA . 19825 1 427 . 1 1 110 110 LEU CB C 13 43.100 0.30 . 1 . . . . . 111 L CB . 19825 1 428 . 1 1 110 110 LEU N N 15 130.291 0.30 . 1 . . . . . 111 L N . 19825 1 429 . 1 1 111 111 ARG H H 1 7.142 0.02 . 1 . . . . . 112 R HN . 19825 1 430 . 1 1 111 111 ARG C C 13 174.056 0.30 . 1 . . . . . 112 R C . 19825 1 431 . 1 1 111 111 ARG CA C 13 55.094 0.30 . 1 . . . . . 112 R CA . 19825 1 432 . 1 1 111 111 ARG CB C 13 55.094 0.30 . 1 . . . . . 112 R CB . 19825 1 433 . 1 1 111 111 ARG N N 15 114.741 0.30 . 1 . . . . . 112 R N . 19825 1 434 . 1 1 112 112 GLY H H 1 8.775 0.02 . 1 . . . . . 113 G HN . 19825 1 435 . 1 1 112 112 GLY C C 13 170.358 0.30 . 1 . . . . . 113 G C . 19825 1 436 . 1 1 112 112 GLY CA C 13 43.353 0.30 . 1 . . . . . 113 G CA . 19825 1 437 . 1 1 112 112 GLY N N 15 110.871 0.30 . 1 . . . . . 113 G N . 19825 1 438 . 1 1 113 113 HIS H H 1 8.453 0.02 . 1 . . . . . 114 H HN . 19825 1 439 . 1 1 113 113 HIS C C 13 174.749 0.30 . 1 . . . . . 114 H C . 19825 1 440 . 1 1 113 113 HIS CA C 13 55.207 0.30 . 1 . . . . . 114 H CA . 19825 1 441 . 1 1 113 113 HIS CB C 13 34.411 0.30 . 1 . . . . . 114 H CB . 19825 1 442 . 1 1 113 113 HIS N N 15 118.230 0.30 . 1 . . . . . 114 H N . 19825 1 443 . 1 1 114 114 ASP H H 1 8.395 0.02 . 1 . . . . . 115 D HN . 19825 1 444 . 1 1 114 114 ASP C C 13 175.730 0.30 . 1 . . . . . 115 D C . 19825 1 445 . 1 1 114 114 ASP CA C 13 53.678 0.30 . 1 . . . . . 115 D CA . 19825 1 446 . 1 1 114 114 ASP CB C 13 40.888 0.30 . 1 . . . . . 115 D CB . 19825 1 447 . 1 1 114 114 ASP N N 15 123.047 0.30 . 1 . . . . . 115 D N . 19825 1 448 . 1 1 115 115 GLN H H 1 9.472 0.02 . 1 . . . . . 116 Q HN . 19825 1 449 . 1 1 115 115 GLN C C 13 175.389 0.30 . 1 . . . . . 116 Q C . 19825 1 450 . 1 1 115 115 GLN CA C 13 55.127 0.30 . 1 . . . . . 116 Q CA . 19825 1 451 . 1 1 115 115 GLN CB C 13 38.247 0.30 . 1 . . . . . 116 Q CB . 19825 1 452 . 1 1 115 115 GLN N N 15 129.258 0.30 . 1 . . . . . 116 Q N . 19825 1 453 . 1 1 116 116 SER H H 1 9.574 0.02 . 1 . . . . . 117 S HN . 19825 1 454 . 1 1 116 116 SER C C 13 172.446 0.30 . 1 . . . . . 117 S C . 19825 1 455 . 1 1 116 116 SER CA C 13 58.131 0.30 . 1 . . . . . 117 S CA . 19825 1 456 . 1 1 116 116 SER CB C 13 66.995 0.30 . 1 . . . . . 117 S CB . 19825 1 457 . 1 1 116 116 SER N N 15 115.508 0.30 . 1 . . . . . 117 S N . 19825 1 458 . 1 1 117 117 ALA H H 1 9.244 0.02 . 1 . . . . . 118 A HN . 19825 1 459 . 1 1 117 117 ALA C C 13 175.213 0.30 . 1 . . . . . 118 A C . 19825 1 460 . 1 1 117 117 ALA CA C 13 50.543 0.30 . 1 . . . . . 118 A CA . 19825 1 461 . 1 1 117 117 ALA CB C 13 20.020 0.30 . 1 . . . . . 118 A CB . 19825 1 462 . 1 1 117 117 ALA N N 15 129.755 0.30 . 1 . . . . . 118 A N . 19825 1 463 . 1 1 118 118 TYR H H 1 8.591 0.02 . 1 . . . . . 119 Y HN . 19825 1 464 . 1 1 118 118 TYR CA C 13 57.142 0.30 . 1 . . . . . 119 Y CA . 19825 1 465 . 1 1 118 118 TYR CB C 13 40.385 0.30 . 1 . . . . . 119 Y CB . 19825 1 466 . 1 1 118 118 TYR N N 15 119.760 0.30 . 1 . . . . . 119 Y N . 19825 1 467 . 1 1 120 120 GLY H H 1 8.701 0.02 . 1 . . . . . 121 G HN . 19825 1 468 . 1 1 120 120 GLY C C 13 174.810 0.30 . 1 . . . . . 121 G C . 19825 1 469 . 1 1 120 120 GLY CA C 13 44.085 0.30 . 1 . . . . . 121 G CA . 19825 1 470 . 1 1 120 120 GLY N N 15 108.268 0.30 . 1 . . . . . 121 G N . 19825 1 471 . 1 1 121 121 LYS H H 1 6.780 0.02 . 1 . . . . . 122 K HN . 19825 1 472 . 1 1 121 121 LYS C C 13 177.389 0.30 . 1 . . . . . 122 K C . 19825 1 473 . 1 1 121 121 LYS CA C 13 60.816 0.30 . 1 . . . . . 122 K CA . 19825 1 474 . 1 1 121 121 LYS CB C 13 31.735 0.30 . 1 . . . . . 122 K CB . 19825 1 475 . 1 1 121 121 LYS N N 15 122.281 0.30 . 1 . . . . . 122 K N . 19825 1 476 . 1 1 122 122 ASP H H 1 8.575 0.02 . 1 . . . . . 123 D HN . 19825 1 477 . 1 1 122 122 ASP C C 13 176.333 0.30 . 1 . . . . . 123 D C . 19825 1 478 . 1 1 122 122 ASP CA C 13 58.770 0.30 . 1 . . . . . 123 D CA . 19825 1 479 . 1 1 122 122 ASP CB C 13 28.787 0.30 . 1 . . . . . 123 D CB . 19825 1 480 . 1 1 122 122 ASP N N 15 117.579 0.30 . 1 . . . . . 123 D N . 19825 1 481 . 1 1 123 123 TYR H H 1 7.461 0.02 . 1 . . . . . 124 Y HN . 19825 1 482 . 1 1 123 123 TYR C C 13 176.864 0.30 . 1 . . . . . 124 Y C . 19825 1 483 . 1 1 123 123 TYR CA C 13 53.548 0.30 . 1 . . . . . 124 Y CA . 19825 1 484 . 1 1 123 123 TYR CB C 13 39.182 0.30 . 1 . . . . . 124 Y CB . 19825 1 485 . 1 1 123 123 TYR N N 15 115.605 0.30 . 1 . . . . . 124 Y N . 19825 1 486 . 1 1 124 124 ILE H H 1 8.573 0.02 . 1 . . . . . 125 I HN . 19825 1 487 . 1 1 124 124 ILE C C 13 175.148 0.30 . 1 . . . . . 125 I C . 19825 1 488 . 1 1 124 124 ILE CA C 13 55.361 0.30 . 1 . . . . . 125 I CA . 19825 1 489 . 1 1 124 124 ILE CB C 13 38.058 0.30 . 1 . . . . . 125 I CB . 19825 1 490 . 1 1 124 124 ILE N N 15 117.039 0.30 . 1 . . . . . 125 I N . 19825 1 491 . 1 1 126 126 LEU H H 1 7.528 0.02 . 1 . . . . . 127 L HN . 19825 1 492 . 1 1 126 126 LEU C C 13 175.159 0.30 . 1 . . . . . 127 L C . 19825 1 493 . 1 1 126 126 LEU CA C 13 60.072 0.30 . 1 . . . . . 127 L CA . 19825 1 494 . 1 1 126 126 LEU CB C 13 40.869 0.30 . 1 . . . . . 127 L CB . 19825 1 495 . 1 1 126 126 LEU N N 15 114.990 0.30 . 1 . . . . . 127 L N . 19825 1 496 . 1 1 127 127 ASN H H 1 8.573 0.02 . 1 . . . . . 128 N HN . 19825 1 497 . 1 1 127 127 ASN C C 13 174.699 0.30 . 1 . . . . . 128 N C . 19825 1 498 . 1 1 127 127 ASN CA C 13 52.873 0.30 . 1 . . . . . 128 N CA . 19825 1 499 . 1 1 127 127 ASN CB C 13 36.135 0.30 . 1 . . . . . 128 N CB . 19825 1 500 . 1 1 127 127 ASN N N 15 125.257 0.30 . 1 . . . . . 128 N N . 19825 1 501 . 1 1 128 128 GLU H H 1 9.828 0.02 . 1 . . . . . 129 E HN . 19825 1 502 . 1 1 128 128 GLU C C 13 173.964 0.30 . 1 . . . . . 129 E C . 19825 1 503 . 1 1 128 128 GLU CA C 13 54.912 0.30 . 1 . . . . . 129 E CA . 19825 1 504 . 1 1 128 128 GLU CB C 13 36.584 0.30 . 1 . . . . . 129 E CB . 19825 1 505 . 1 1 128 128 GLU N N 15 122.239 0.30 . 1 . . . . . 129 E N . 19825 1 506 . 1 1 129 129 ASP H H 1 9.898 0.02 . 1 . . . . . 130 D HN . 19825 1 507 . 1 1 129 129 ASP C C 13 173.657 0.30 . 1 . . . . . 130 D C . 19825 1 508 . 1 1 129 129 ASP CA C 13 53.581 0.30 . 1 . . . . . 130 D CA . 19825 1 509 . 1 1 129 129 ASP CB C 13 35.264 0.30 . 1 . . . . . 130 D CB . 19825 1 510 . 1 1 129 129 ASP N N 15 127.364 0.30 . 1 . . . . . 130 D N . 19825 1 511 . 1 1 130 130 LEU H H 1 8.072 0.02 . 1 . . . . . 131 L HN . 19825 1 512 . 1 1 130 130 LEU C C 13 178.293 0.30 . 1 . . . . . 131 L C . 19825 1 513 . 1 1 130 130 LEU CA C 13 55.843 0.30 . 1 . . . . . 131 L CA . 19825 1 514 . 1 1 130 130 LEU CB C 13 33.558 0.30 . 1 . . . . . 131 L CB . 19825 1 515 . 1 1 130 130 LEU N N 15 119.894 0.30 . 1 . . . . . 131 L N . 19825 1 516 . 1 1 131 131 SER H H 1 7.934 0.02 . 1 . . . . . 132 S HN . 19825 1 517 . 1 1 131 131 SER C C 13 180.103 0.30 . 1 . . . . . 132 S C . 19825 1 518 . 1 1 131 131 SER CA C 13 59.252 0.30 . 1 . . . . . 132 S CA . 19825 1 519 . 1 1 131 131 SER CB C 13 63.581 0.30 . 1 . . . . . 132 S CB . 19825 1 520 . 1 1 131 131 SER N N 15 116.930 0.30 . 1 . . . . . 132 S N . 19825 1 521 . 1 1 135 135 ALA H H 1 9.105 0.02 . 1 . . . . . 136 A HN . 19825 1 522 . 1 1 135 135 ALA C C 13 177.517 0.30 . 1 . . . . . 136 A C . 19825 1 523 . 1 1 135 135 ALA CA C 13 50.072 0.30 . 1 . . . . . 136 A CA . 19825 1 524 . 1 1 135 135 ALA CB C 13 19.710 0.30 . 1 . . . . . 136 A CB . 19825 1 525 . 1 1 135 135 ALA N N 15 133.638 0.30 . 1 . . . . . 136 A N . 19825 1 526 . 1 1 136 136 ALA H H 1 8.369 0.02 . 1 . . . . . 137 A HN . 19825 1 527 . 1 1 136 136 ALA C C 13 176.947 0.30 . 1 . . . . . 137 A C . 19825 1 528 . 1 1 136 136 ALA CA C 13 54.296 0.30 . 1 . . . . . 137 A CA . 19825 1 529 . 1 1 136 136 ALA CB C 13 20.020 0.30 . 1 . . . . . 137 A CB . 19825 1 530 . 1 1 136 136 ALA N N 15 124.924 0.30 . 1 . . . . . 137 A N . 19825 1 531 . 1 1 137 137 ASP H H 1 7.207 0.02 . 1 . . . . . 138 D HN . 19825 1 532 . 1 1 137 137 ASP C C 13 175.888 0.30 . 1 . . . . . 138 D C . 19825 1 533 . 1 1 137 137 ASP CA C 13 52.257 0.30 . 1 . . . . . 138 D CA . 19825 1 534 . 1 1 137 137 ASP CB C 13 40.986 0.30 . 1 . . . . . 138 D CB . 19825 1 535 . 1 1 137 137 ASP N N 15 113.826 0.30 . 1 . . . . . 138 D N . 19825 1 536 . 1 1 138 138 THR H H 1 7.858 0.02 . 1 . . . . . 139 T HN . 19825 1 537 . 1 1 138 138 THR C C 13 176.597 0.30 . 1 . . . . . 139 T C . 19825 1 538 . 1 1 138 138 THR CA C 13 64.901 0.30 . 1 . . . . . 139 T CA . 19825 1 539 . 1 1 138 138 THR CB C 13 68.132 0.30 . 1 . . . . . 139 T CB . 19825 1 540 . 1 1 138 138 THR N N 15 109.836 0.30 . 1 . . . . . 139 T N . 19825 1 541 . 1 1 139 139 ALA H H 1 7.654 0.02 . 1 . . . . . 140 A HN . 19825 1 542 . 1 1 139 139 ALA C C 13 178.359 0.30 . 1 . . . . . 140 A C . 19825 1 543 . 1 1 139 139 ALA CA C 13 54.478 0.30 . 1 . . . . . 140 A CA . 19825 1 544 . 1 1 139 139 ALA CB C 13 17.182 0.30 . 1 . . . . . 140 A CB . 19825 1 545 . 1 1 139 139 ALA N N 15 128.169 0.30 . 1 . . . . . 140 A N . 19825 1 546 . 1 1 140 140 ALA H H 1 8.273 0.02 . 1 . . . . . 141 A HN . 19825 1 547 . 1 1 140 140 ALA C C 13 179.851 0.30 . 1 . . . . . 141 A C . 19825 1 548 . 1 1 140 140 ALA CA C 13 53.515 0.30 . 1 . . . . . 141 A CA . 19825 1 549 . 1 1 140 140 ALA CB C 13 18.740 0.30 . 1 . . . . . 141 A CB . 19825 1 550 . 1 1 140 140 ALA N N 15 118.821 0.30 . 1 . . . . . 141 A N . 19825 1 551 . 1 1 141 141 GLN H H 1 7.356 0.02 . 1 . . . . . 142 Q HN . 19825 1 552 . 1 1 141 141 GLN C C 13 178.279 0.30 . 1 . . . . . 142 Q C . 19825 1 553 . 1 1 141 141 GLN CA C 13 57.955 0.30 . 1 . . . . . 142 Q CA . 19825 1 554 . 1 1 141 141 GLN CB C 13 27.507 0.30 . 1 . . . . . 142 Q CB . 19825 1 555 . 1 1 141 141 GLN N N 15 116.295 0.30 . 1 . . . . . 142 Q N . 19825 1 556 . 1 1 143 143 THR H H 1 9.556 0.02 . 1 . . . . . 144 T HN . 19825 1 557 . 1 1 143 143 THR C C 13 172.721 0.30 . 1 . . . . . 144 T C . 19825 1 558 . 1 1 143 143 THR CA C 13 62.944 0.30 . 1 . . . . . 144 T CA . 19825 1 559 . 1 1 143 143 THR CB C 13 70.175 0.30 . 1 . . . . . 144 T CB . 19825 1 560 . 1 1 143 143 THR N N 15 120.689 0.30 . 1 . . . . . 144 T N . 19825 1 561 . 1 1 144 144 GLN H H 1 9.088 0.02 . 1 . . . . . 145 Q HN . 19825 1 562 . 1 1 144 144 GLN C C 13 175.716 0.30 . 1 . . . . . 145 Q C . 19825 1 563 . 1 1 144 144 GLN CA C 13 55.094 0.30 . 1 . . . . . 145 Q CA . 19825 1 564 . 1 1 144 144 GLN CB C 13 28.438 0.30 . 1 . . . . . 145 Q CB . 19825 1 565 . 1 1 144 144 GLN N N 15 132.539 0.30 . 1 . . . . . 145 Q N . 19825 1 566 . 1 1 145 145 ARG H H 1 8.307 0.02 . 1 . . . . . 146 R HN . 19825 1 567 . 1 1 145 145 ARG C C 13 175.270 0.30 . 1 . . . . . 146 R C . 19825 1 568 . 1 1 145 145 ARG CA C 13 55.743 0.30 . 1 . . . . . 146 R CA . 19825 1 569 . 1 1 145 145 ARG CB C 13 30.377 0.30 . 1 . . . . . 146 R CB . 19825 1 570 . 1 1 145 145 ARG N N 15 124.391 0.30 . 1 . . . . . 146 R N . 19825 1 571 . 1 1 146 146 LYS H H 1 8.371 0.02 . 1 . . . . . 147 K HN . 19825 1 572 . 1 1 146 146 LYS C C 13 176.426 0.30 . 1 . . . . . 147 K C . 19825 1 573 . 1 1 146 146 LYS CA C 13 51.569 0.30 . 1 . . . . . 147 K CA . 19825 1 574 . 1 1 146 146 LYS CB C 13 28.670 0.30 . 1 . . . . . 147 K CB . 19825 1 575 . 1 1 146 146 LYS N N 15 125.163 0.30 . 1 . . . . . 147 K N . 19825 1 576 . 1 1 152 152 VAL H H 1 8.107 0.02 . 1 . . . . . 153 V HN . 19825 1 577 . 1 1 152 152 VAL C C 13 175.227 0.30 . 1 . . . . . 153 V C . 19825 1 578 . 1 1 152 152 VAL CA C 13 57.855 0.30 . 1 . . . . . 153 V CA . 19825 1 579 . 1 1 152 152 VAL CB C 13 35.498 0.30 . 1 . . . . . 153 V CB . 19825 1 580 . 1 1 152 152 VAL N N 15 123.078 0.30 . 1 . . . . . 153 V N . 19825 1 581 . 1 1 153 153 ALA H H 1 8.305 0.02 . 1 . . . . . 154 A HN . 19825 1 582 . 1 1 153 153 ALA C C 13 176.871 0.30 . 1 . . . . . 154 A C . 19825 1 583 . 1 1 153 153 ALA CA C 13 58.221 0.30 . 1 . . . . . 154 A CA . 19825 1 584 . 1 1 153 153 ALA CB C 13 22.774 0.30 . 1 . . . . . 154 A CB . 19825 1 585 . 1 1 153 153 ALA N N 15 126.739 0.30 . 1 . . . . . 154 A N . 19825 1 586 . 1 1 155 155 GLN H H 1 6.408 0.02 . 1 . . . . . 156 Q HN . 19825 1 587 . 1 1 155 155 GLN C C 13 177.424 0.30 . 1 . . . . . 156 Q C . 19825 1 588 . 1 1 155 155 GLN CA C 13 55.044 0.30 . 1 . . . . . 156 Q CA . 19825 1 589 . 1 1 155 155 GLN CB C 13 27.662 0.30 . 1 . . . . . 156 Q CB . 19825 1 590 . 1 1 155 155 GLN N N 15 111.248 0.30 . 1 . . . . . 156 Q N . 19825 1 591 . 1 1 156 156 LEU H H 1 6.701 0.02 . 1 . . . . . 157 L HN . 19825 1 592 . 1 1 156 156 LEU CA C 13 57.190 0.30 . 1 . . . . . 157 L CA . 19825 1 593 . 1 1 156 156 LEU CB C 13 39.920 0.30 . 1 . . . . . 157 L CB . 19825 1 594 . 1 1 156 156 LEU N N 15 120.684 0.30 . 1 . . . . . 157 L N . 19825 1 595 . 1 1 161 161 GLU H H 1 7.233 0.02 . 1 . . . . . 162 E HN . 19825 1 596 . 1 1 161 161 GLU C C 13 172.972 0.30 . 1 . . . . . 162 E C . 19825 1 597 . 1 1 161 161 GLU CA C 13 52.766 0.30 . 1 . . . . . 162 E CA . 19825 1 598 . 1 1 161 161 GLU CB C 13 52.766 0.30 . 1 . . . . . 162 E CB . 19825 1 599 . 1 1 161 161 GLU N N 15 114.868 0.30 . 1 . . . . . 162 E N . 19825 1 600 . 1 1 162 162 GLY H H 1 8.059 0.02 . 1 . . . . . 163 G HN . 19825 1 601 . 1 1 162 162 GLY C C 13 179.098 0.30 . 1 . . . . . 163 G C . 19825 1 602 . 1 1 162 162 GLY CA C 13 43.154 0.30 . 1 . . . . . 163 G CA . 19825 1 603 . 1 1 162 162 GLY N N 15 117.609 0.30 . 1 . . . . . 163 G N . 19825 1 604 . 1 1 164 164 CYS H H 1 7.146 0.02 . 1 . . . . . 165 C HN . 19825 1 605 . 1 1 164 164 CYS C C 13 179.505 0.30 . 1 . . . . . 165 C C . 19825 1 606 . 1 1 164 164 CYS CA C 13 58.553 0.30 . 1 . . . . . 165 C CA . 19825 1 607 . 1 1 164 164 CYS CB C 13 28.244 0.30 . 1 . . . . . 165 C CB . 19825 1 608 . 1 1 164 164 CYS N N 15 121.725 0.30 . 1 . . . . . 165 C N . 19825 1 609 . 1 1 165 165 VAL H H 1 6.992 0.02 . 1 . . . . . 166 V HN . 19825 1 610 . 1 1 165 165 VAL C C 13 178.868 0.30 . 1 . . . . . 166 V C . 19825 1 611 . 1 1 165 165 VAL CA C 13 59.113 0.30 . 1 . . . . . 166 V CA . 19825 1 612 . 1 1 165 165 VAL CB C 13 31.646 0.30 . 1 . . . . . 166 V CB . 19825 1 613 . 1 1 165 165 VAL N N 15 121.122 0.30 . 1 . . . . . 166 V N . 19825 1 614 . 1 1 166 166 GLU H H 1 8.171 0.02 . 1 . . . . . 167 E HN . 19825 1 615 . 1 1 166 166 GLU C C 13 172.505 0.30 . 1 . . . . . 167 E C . 19825 1 616 . 1 1 166 166 GLU CA C 13 56.009 0.30 . 1 . . . . . 167 E CA . 19825 1 617 . 1 1 166 166 GLU CB C 13 31.851 0.30 . 1 . . . . . 167 E CB . 19825 1 618 . 1 1 166 166 GLU N N 15 116.507 0.30 . 1 . . . . . 167 E N . 19825 1 619 . 1 1 169 169 ARG H H 1 8.397 0.02 . 1 . . . . . 170 R HN . 19825 1 620 . 1 1 169 169 ARG C C 13 175.285 0.30 . 1 . . . . . 170 R C . 19825 1 621 . 1 1 169 169 ARG CA C 13 53.947 0.30 . 1 . . . . . 170 R CA . 19825 1 622 . 1 1 169 169 ARG CB C 13 33.636 0.30 . 1 . . . . . 170 R CB . 19825 1 623 . 1 1 169 169 ARG N N 15 118.113 0.30 . 1 . . . . . 170 R N . 19825 1 624 . 1 1 170 170 ARG H H 1 9.598 0.02 . 1 . . . . . 171 R HN . 19825 1 625 . 1 1 170 170 ARG C C 13 174.725 0.30 . 1 . . . . . 171 R C . 19825 1 626 . 1 1 170 170 ARG CA C 13 57.789 0.30 . 1 . . . . . 171 R CA . 19825 1 627 . 1 1 170 170 ARG CB C 13 28.593 0.30 . 1 . . . . . 171 R CB . 19825 1 628 . 1 1 170 170 ARG N N 15 122.978 0.30 . 1 . . . . . 171 R N . 19825 1 629 . 1 1 171 171 TYR H H 1 7.731 0.02 . 1 . . . . . 172 Y HN . 19825 1 630 . 1 1 171 171 TYR C C 13 171.859 0.30 . 1 . . . . . 172 Y C . 19825 1 631 . 1 1 171 171 TYR CA C 13 52.267 0.30 . 1 . . . . . 172 Y CA . 19825 1 632 . 1 1 171 171 TYR CB C 13 30.843 0.30 . 1 . . . . . 172 Y CB . 19825 1 633 . 1 1 171 171 TYR N N 15 129.428 0.30 . 1 . . . . . 172 Y N . 19825 1 634 . 1 1 175 175 GLY H H 1 7.197 0.02 . 1 . . . . . 176 G HN . 19825 1 635 . 1 1 175 175 GLY C C 13 171.736 0.30 . 1 . . . . . 176 G C . 19825 1 636 . 1 1 175 175 GLY CA C 13 43.486 0.30 . 1 . . . . . 176 G CA . 19825 1 637 . 1 1 175 175 GLY N N 15 117.969 0.30 . 1 . . . . . 176 G N . 19825 1 638 . 1 1 176 176 LYS H H 1 7.302 0.02 . 1 . . . . . 177 K HN . 19825 1 639 . 1 1 176 176 LYS C C 13 174.762 0.30 . 1 . . . . . 177 K C . 19825 1 640 . 1 1 176 176 LYS CA C 13 53.410 0.30 . 1 . . . . . 177 K CA . 19825 1 641 . 1 1 176 176 LYS CB C 13 34.066 0.30 . 1 . . . . . 177 K CB . 19825 1 642 . 1 1 176 176 LYS N N 15 118.578 0.30 . 1 . . . . . 177 K N . 19825 1 643 . 1 1 177 177 GLU H H 1 8.493 0.02 . 1 . . . . . 178 E HN . 19825 1 644 . 1 1 177 177 GLU C C 13 174.114 0.30 . 1 . . . . . 178 E C . 19825 1 645 . 1 1 177 177 GLU CA C 13 57.123 0.30 . 1 . . . . . 178 E CA . 19825 1 646 . 1 1 177 177 GLU CB C 13 40.773 0.30 . 1 . . . . . 178 E CB . 19825 1 647 . 1 1 177 177 GLU N N 15 122.060 0.30 . 1 . . . . . 178 E N . 19825 1 648 . 1 1 178 178 THR H H 1 8.483 0.02 . 1 . . . . . 179 T HN . 19825 1 649 . 1 1 178 178 THR CA C 13 67.301 0.30 . 1 . . . . . 179 T CA . 19825 1 650 . 1 1 178 178 THR CB C 13 68.469 0.30 . 1 . . . . . 179 T CB . 19825 1 651 . 1 1 178 178 THR N N 15 115.780 0.30 . 1 . . . . . 179 T N . 19825 1 652 . 1 1 180 180 GLN H H 1 7.425 0.02 . 1 . . . . . 181 Q HN . 19825 1 653 . 1 1 180 180 GLN C C 13 173.769 0.30 . 1 . . . . . 181 Q C . 19825 1 654 . 1 1 180 180 GLN CA C 13 55.145 0.30 . 1 . . . . . 181 Q CA . 19825 1 655 . 1 1 180 180 GLN CB C 13 27.817 0.30 . 1 . . . . . 181 Q CB . 19825 1 656 . 1 1 180 180 GLN N N 15 113.240 0.30 . 1 . . . . . 181 Q N . 19825 1 657 . 1 1 181 181 ARG H H 1 6.991 0.02 . 1 . . . . . 182 R HN . 19825 1 658 . 1 1 181 181 ARG C C 13 174.322 0.30 . 1 . . . . . 182 R C . 19825 1 659 . 1 1 181 181 ARG CA C 13 54.546 0.30 . 1 . . . . . 182 R CA . 19825 1 660 . 1 1 181 181 ARG CB C 13 31.541 0.30 . 1 . . . . . 182 R CB . 19825 1 661 . 1 1 181 181 ARG N N 15 120.832 0.30 . 1 . . . . . 182 R N . 19825 1 662 . 1 1 182 182 ALA H H 1 8.586 0.02 . 1 . . . . . 183 A HN . 19825 1 663 . 1 1 182 182 ALA C C 13 176.714 0.30 . 1 . . . . . 183 A C . 19825 1 664 . 1 1 182 182 ALA CA C 13 50.887 0.30 . 1 . . . . . 183 A CA . 19825 1 665 . 1 1 182 182 ALA CB C 13 18.973 0.30 . 1 . . . . . 183 A CB . 19825 1 666 . 1 1 182 182 ALA N N 15 128.656 0.30 . 1 . . . . . 183 A N . 19825 1 667 . 1 1 183 183 ASP H H 1 9.531 0.02 . 1 . . . . . 184 D HN . 19825 1 668 . 1 1 183 183 ASP C C 13 173.410 0.30 . 1 . . . . . 184 D C . 19825 1 669 . 1 1 183 183 ASP CB C 13 42.092 0.30 . 1 . . . . . 184 D CB . 19825 1 670 . 1 1 183 183 ASP N N 15 126.335 0.30 . 1 . . . . . 184 D N . 19825 1 671 . 1 1 186 186 LYS H H 1 9.585 0.02 . 1 . . . . . 187 K HN . 19825 1 672 . 1 1 186 186 LYS C C 13 178.114 0.30 . 1 . . . . . 187 K C . 19825 1 673 . 1 1 186 186 LYS CA C 13 56.059 0.30 . 1 . . . . . 187 K CA . 19825 1 674 . 1 1 186 186 LYS CB C 13 31.153 0.30 . 1 . . . . . 187 K CB . 19825 1 675 . 1 1 186 186 LYS N N 15 125.707 0.30 . 1 . . . . . 187 K N . 19825 1 676 . 1 1 187 187 THR H H 1 8.414 0.02 . 1 . . . . . 188 T HN . 19825 1 677 . 1 1 187 187 THR C C 13 174.334 0.30 . 1 . . . . . 188 T C . 19825 1 678 . 1 1 187 187 THR CA C 13 58.880 0.30 . 1 . . . . . 188 T CA . 19825 1 679 . 1 1 187 187 THR CB C 13 71.219 0.30 . 1 . . . . . 188 T CB . 19825 1 680 . 1 1 187 187 THR N N 15 116.993 0.30 . 1 . . . . . 188 T N . 19825 1 681 . 1 1 188 188 HIS H H 1 8.067 0.02 . 1 . . . . . 189 H HN . 19825 1 682 . 1 1 188 188 HIS C C 13 172.500 0.30 . 1 . . . . . 189 H C . 19825 1 683 . 1 1 188 188 HIS CA C 13 56.100 0.30 . 1 . . . . . 189 H CA . 19825 1 684 . 1 1 188 188 HIS CB C 13 31.671 0.30 . 1 . . . . . 189 H CB . 19825 1 685 . 1 1 188 188 HIS N N 15 116.133 0.30 . 1 . . . . . 189 H N . 19825 1 686 . 1 1 189 189 VAL H H 1 8.680 0.02 . 1 . . . . . 190 V HN . 19825 1 687 . 1 1 189 189 VAL C C 13 176.483 0.30 . 1 . . . . . 190 V C . 19825 1 688 . 1 1 189 189 VAL CA C 13 60.400 0.30 . 1 . . . . . 190 V CA . 19825 1 689 . 1 1 189 189 VAL CB C 13 34.683 0.30 . 1 . . . . . 190 V CB . 19825 1 690 . 1 1 189 189 VAL N N 15 121.136 0.30 . 1 . . . . . 190 V N . 19825 1 691 . 1 1 190 190 THR H H 1 9.772 0.02 . 1 . . . . . 191 T HN . 19825 1 692 . 1 1 190 190 THR C C 13 171.744 0.30 . 1 . . . . . 191 T C . 19825 1 693 . 1 1 190 190 THR CA C 13 60.167 0.30 . 1 . . . . . 191 T CA . 19825 1 694 . 1 1 190 190 THR CB C 13 69.787 0.30 . 1 . . . . . 191 T CB . 19825 1 695 . 1 1 190 190 THR N N 15 119.579 0.30 . 1 . . . . . 191 T N . 19825 1 696 . 1 1 191 191 HIS H H 1 7.854 0.02 . 1 . . . . . 192 H HN . 19825 1 697 . 1 1 191 191 HIS C C 13 174.318 0.30 . 1 . . . . . 192 H C . 19825 1 698 . 1 1 191 191 HIS CA C 13 54.962 0.30 . 1 . . . . . 192 H CA . 19825 1 699 . 1 1 191 191 HIS CB C 13 33.364 0.30 . 1 . . . . . 192 H CB . 19825 1 700 . 1 1 191 191 HIS N N 15 122.376 0.30 . 1 . . . . . 192 H N . 19825 1 701 . 1 1 192 192 HIS H H 1 8.260 0.02 . 1 . . . . . 193 H HN . 19825 1 702 . 1 1 192 192 HIS C C 13 172.678 0.30 . 1 . . . . . 193 H C . 19825 1 703 . 1 1 192 192 HIS CA C 13 51.536 0.30 . 1 . . . . . 193 H CA . 19825 1 704 . 1 1 192 192 HIS CB C 13 29.757 0.30 . 1 . . . . . 193 H CB . 19825 1 705 . 1 1 192 192 HIS N N 15 123.365 0.30 . 1 . . . . . 193 H N . 19825 1 706 . 1 1 194 194 VAL H H 1 8.491 0.02 . 1 . . . . . 195 V HN . 19825 1 707 . 1 1 194 194 VAL C C 13 175.170 0.30 . 1 . . . . . 195 V C . 19825 1 708 . 1 1 194 194 VAL CA C 13 62.511 0.30 . 1 . . . . . 195 V CA . 19825 1 709 . 1 1 194 194 VAL CB C 13 32.976 0.30 . 1 . . . . . 195 V CB . 19825 1 710 . 1 1 194 194 VAL N N 15 123.832 0.30 . 1 . . . . . 195 V N . 19825 1 711 . 1 1 195 195 SER H H 1 8.233 0.02 . 1 . . . . . 196 S HN . 19825 1 712 . 1 1 195 195 SER C C 13 173.899 0.30 . 1 . . . . . 196 S C . 19825 1 713 . 1 1 195 195 SER CA C 13 56.358 0.30 . 1 . . . . . 196 S CA . 19825 1 714 . 1 1 195 195 SER CB C 13 64.512 0.30 . 1 . . . . . 196 S CB . 19825 1 715 . 1 1 195 195 SER N N 15 116.066 0.30 . 1 . . . . . 196 S N . 19825 1 716 . 1 1 197 197 HIS H H 1 8.100 0.02 . 1 . . . . . 198 H HN . 19825 1 717 . 1 1 197 197 HIS C C 13 175.516 0.30 . 1 . . . . . 198 H C . 19825 1 718 . 1 1 197 197 HIS CA C 13 55.734 0.30 . 1 . . . . . 198 H CA . 19825 1 719 . 1 1 197 197 HIS CB C 13 31.309 0.30 . 1 . . . . . 198 H CB . 19825 1 720 . 1 1 197 197 HIS N N 15 113.812 0.30 . 1 . . . . . 198 H N . 19825 1 721 . 1 1 198 198 GLU H H 1 7.292 0.02 . 1 . . . . . 199 E HN . 19825 1 722 . 1 1 198 198 GLU C C 13 174.570 0.30 . 1 . . . . . 199 E C . 19825 1 723 . 1 1 198 198 GLU CA C 13 54.986 0.30 . 1 . . . . . 199 E CA . 19825 1 724 . 1 1 198 198 GLU CB C 13 34.450 0.30 . 1 . . . . . 199 E CB . 19825 1 725 . 1 1 198 198 GLU N N 15 121.079 0.30 . 1 . . . . . 199 E N . 19825 1 726 . 1 1 199 199 ALA H H 1 9.010 0.02 . 1 . . . . . 200 A HN . 19825 1 727 . 1 1 199 199 ALA C C 13 174.171 0.30 . 1 . . . . . 200 A C . 19825 1 728 . 1 1 199 199 ALA CA C 13 50.505 0.30 . 1 . . . . . 200 A CA . 19825 1 729 . 1 1 199 199 ALA CB C 13 21.766 0.30 . 1 . . . . . 200 A CB . 19825 1 730 . 1 1 199 199 ALA N N 15 123.768 0.30 . 1 . . . . . 200 A N . 19825 1 731 . 1 1 200 200 THR H H 1 8.545 0.02 . 1 . . . . . 201 T HN . 19825 1 732 . 1 1 200 200 THR C C 13 174.329 0.30 . 1 . . . . . 201 T C . 19825 1 733 . 1 1 200 200 THR CA C 13 61.581 0.30 . 1 . . . . . 201 T CA . 19825 1 734 . 1 1 200 200 THR CB C 13 69.206 0.30 . 1 . . . . . 201 T CB . 19825 1 735 . 1 1 200 200 THR N N 15 119.259 0.30 . 1 . . . . . 201 T N . 19825 1 736 . 1 1 201 201 LEU H H 1 8.638 0.02 . 1 . . . . . 202 L HN . 19825 1 737 . 1 1 201 201 LEU C C 13 175.076 0.30 . 1 . . . . . 202 L C . 19825 1 738 . 1 1 201 201 LEU CA C 13 52.207 0.30 . 1 . . . . . 202 L CA . 19825 1 739 . 1 1 201 201 LEU CB C 13 42.888 0.30 . 1 . . . . . 202 L CB . 19825 1 740 . 1 1 201 201 LEU N N 15 126.646 0.30 . 1 . . . . . 202 L N . 19825 1 741 . 1 1 202 202 ARG H H 1 9.041 0.02 . 1 . . . . . 203 R HN . 19825 1 742 . 1 1 202 202 ARG C C 13 172.779 0.30 . 1 . . . . . 203 R C . 19825 1 743 . 1 1 202 202 ARG CA C 13 54.779 0.30 . 1 . . . . . 203 R CA . 19825 1 744 . 1 1 202 202 ARG CB C 13 31.386 0.30 . 1 . . . . . 203 R CB . 19825 1 745 . 1 1 202 202 ARG N N 15 124.307 0.30 . 1 . . . . . 203 R N . 19825 1 746 . 1 1 203 203 CYS H H 1 9.772 0.02 . 1 . . . . . 204 C HN . 19825 1 747 . 1 1 203 203 CYS C C 13 172.290 0.30 . 1 . . . . . 204 C C . 19825 1 748 . 1 1 203 203 CYS CA C 13 53.165 0.30 . 1 . . . . . 204 C CA . 19825 1 749 . 1 1 203 203 CYS CB C 13 40.773 0.30 . 1 . . . . . 204 C CB . 19825 1 750 . 1 1 203 203 CYS N N 15 128.608 0.30 . 1 . . . . . 204 C N . 19825 1 751 . 1 1 204 204 TRP H H 1 9.282 0.02 . 1 . . . . . 205 W HN . 19825 1 752 . 1 1 204 204 TRP C C 13 174.509 0.30 . 1 . . . . . 205 W C . 19825 1 753 . 1 1 204 204 TRP CA C 13 57.041 0.30 . 1 . . . . . 205 W CA . 19825 1 754 . 1 1 204 204 TRP CB C 13 31.231 0.30 . 1 . . . . . 205 W CB . 19825 1 755 . 1 1 204 204 TRP N N 15 126.845 0.30 . 1 . . . . . 205 W N . 19825 1 756 . 1 1 205 205 ALA H H 1 8.882 0.02 . 1 . . . . . 206 A HN . 19825 1 757 . 1 1 205 205 ALA C C 13 175.213 0.30 . 1 . . . . . 206 A C . 19825 1 758 . 1 1 205 205 ALA CA C 13 50.488 0.30 . 1 . . . . . 206 A CA . 19825 1 759 . 1 1 205 205 ALA CB C 13 21.765 0.30 . 1 . . . . . 206 A CB . 19825 1 760 . 1 1 205 205 ALA N N 15 120.762 0.30 . 1 . . . . . 206 A N . 19825 1 761 . 1 1 206 206 LEU H H 1 9.176 0.02 . 1 . . . . . 207 L HN . 19825 1 762 . 1 1 206 206 LEU C C 13 177.690 0.30 . 1 . . . . . 207 L C . 19825 1 763 . 1 1 206 206 LEU CA C 13 53.631 0.30 . 1 . . . . . 207 L CA . 19825 1 764 . 1 1 206 206 LEU CB C 13 45.311 0.30 . 1 . . . . . 207 L CB . 19825 1 765 . 1 1 206 206 LEU N N 15 122.085 0.30 . 1 . . . . . 207 L N . 19825 1 766 . 1 1 207 207 GLY H H 1 8.519 0.02 . 1 . . . . . 208 G HN . 19825 1 767 . 1 1 207 207 GLY C C 13 174.078 0.30 . 1 . . . . . 208 G C . 19825 1 768 . 1 1 207 207 GLY CA C 13 46.530 0.30 . 1 . . . . . 208 G CA . 19825 1 769 . 1 1 207 207 GLY N N 15 111.351 0.30 . 1 . . . . . 208 G N . 19825 1 770 . 1 1 208 208 PHE H H 1 7.421 0.02 . 1 . . . . . 209 F HN . 19825 1 771 . 1 1 208 208 PHE C C 13 174.796 0.30 . 1 . . . . . 209 F C . 19825 1 772 . 1 1 208 208 PHE CA C 13 53.598 0.30 . 1 . . . . . 209 F CA . 19825 1 773 . 1 1 208 208 PHE CB C 13 40.617 0.30 . 1 . . . . . 209 F CB . 19825 1 774 . 1 1 208 208 PHE N N 15 112.571 0.30 . 1 . . . . . 209 F N . 19825 1 775 . 1 1 209 209 TYR H H 1 8.951 0.02 . 1 . . . . . 210 Y HN . 19825 1 776 . 1 1 209 209 TYR C C 13 171.342 0.30 . 1 . . . . . 210 Y C . 19825 1 777 . 1 1 209 209 TYR CA C 13 57.988 0.30 . 1 . . . . . 210 Y CA . 19825 1 778 . 1 1 209 209 TYR CB C 13 42.092 0.30 . 1 . . . . . 210 Y CB . 19825 1 779 . 1 1 209 209 TYR N N 15 120.339 0.30 . 1 . . . . . 210 Y N . 19825 1 780 . 1 1 211 211 ALA H H 1 8.064 0.02 . 1 . . . . . 212 A HN . 19825 1 781 . 1 1 211 211 ALA C C 13 178.035 0.30 . 1 . . . . . 212 A C . 19825 1 782 . 1 1 211 211 ALA CA C 13 54.413 0.30 . 1 . . . . . 212 A CA . 19825 1 783 . 1 1 211 211 ALA CB C 13 16.645 0.30 . 1 . . . . . 212 A CB . 19825 1 784 . 1 1 211 211 ALA N N 15 119.479 0.30 . 1 . . . . . 212 A N . 19825 1 785 . 1 1 212 212 GLU H H 1 7.346 0.02 . 1 . . . . . 213 E HN . 19825 1 786 . 1 1 212 212 GLU C C 13 173.707 0.30 . 1 . . . . . 213 E C . 19825 1 787 . 1 1 212 212 GLU CA C 13 57.268 0.30 . 1 . . . . . 213 E CA . 19825 1 788 . 1 1 212 212 GLU CB C 13 28.333 0.30 . 1 . . . . . 213 E CB . 19825 1 789 . 1 1 212 212 GLU N N 15 119.109 0.30 . 1 . . . . . 213 E N . 19825 1 790 . 1 1 213 213 ILE H H 1 7.379 0.02 . 1 . . . . . 214 I HN . 19825 1 791 . 1 1 213 213 ILE C C 13 172.758 0.30 . 1 . . . . . 214 I C . 19825 1 792 . 1 1 213 213 ILE CA C 13 60.410 0.30 . 1 . . . . . 214 I CA . 19825 1 793 . 1 1 213 213 ILE CB C 13 39.317 0.30 . 1 . . . . . 214 I CB . 19825 1 794 . 1 1 213 213 ILE N N 15 124.711 0.30 . 1 . . . . . 214 I N . 19825 1 795 . 1 1 214 214 THR H H 1 8.094 0.02 . 1 . . . . . 215 T HN . 19825 1 796 . 1 1 214 214 THR C C 13 172.290 0.30 . 1 . . . . . 215 T C . 19825 1 797 . 1 1 214 214 THR CA C 13 61.829 0.30 . 1 . . . . . 215 T CA . 19825 1 798 . 1 1 214 214 THR CB C 13 70.447 0.30 . 1 . . . . . 215 T CB . 19825 1 799 . 1 1 214 214 THR N N 15 120.232 0.30 . 1 . . . . . 215 T N . 19825 1 800 . 1 1 215 215 LEU H H 1 8.654 0.02 . 1 . . . . . 216 L HN . 19825 1 801 . 1 1 215 215 LEU C C 13 175.421 0.30 . 1 . . . . . 216 L C . 19825 1 802 . 1 1 215 215 LEU CA C 13 53.514 0.30 . 1 . . . . . 216 L CA . 19825 1 803 . 1 1 215 215 LEU CB C 13 44.924 0.30 . 1 . . . . . 216 L CB . 19825 1 804 . 1 1 215 215 LEU N N 15 128.433 0.30 . 1 . . . . . 216 L N . 19825 1 805 . 1 1 216 216 THR H H 1 8.493 0.02 . 1 . . . . . 217 T HN . 19825 1 806 . 1 1 216 216 THR C C 13 173.098 0.30 . 1 . . . . . 217 T C . 19825 1 807 . 1 1 216 216 THR CA C 13 59.918 0.30 . 1 . . . . . 217 T CA . 19825 1 808 . 1 1 216 216 THR CB C 13 71.766 0.30 . 1 . . . . . 217 T CB . 19825 1 809 . 1 1 216 216 THR N N 15 115.493 0.30 . 1 . . . . . 217 T N . 19825 1 810 . 1 1 217 217 TRP H H 1 9.097 0.02 . 1 . . . . . 218 W HN . 19825 1 811 . 1 1 217 217 TRP C C 13 175.941 0.30 . 1 . . . . . 218 W C . 19825 1 812 . 1 1 217 217 TRP CA C 13 56.391 0.30 . 1 . . . . . 218 W CA . 19825 1 813 . 1 1 217 217 TRP CB C 13 31.774 0.30 . 1 . . . . . 218 W CB . 19825 1 814 . 1 1 217 217 TRP N N 15 122.451 0.30 . 1 . . . . . 218 W N . 19825 1 815 . 1 1 218 218 GLN H H 1 9.887 0.02 . 1 . . . . . 219 Q HN . 19825 1 816 . 1 1 218 218 GLN C C 13 174.988 0.30 . 1 . . . . . 219 Q C . 19825 1 817 . 1 1 218 218 GLN CA C 13 53.639 0.30 . 1 . . . . . 219 Q CA . 19825 1 818 . 1 1 218 218 GLN CB C 13 31.696 0.30 . 1 . . . . . 219 Q CB . 19825 1 819 . 1 1 218 218 GLN N N 15 119.439 0.30 . 1 . . . . . 219 Q N . 19825 1 820 . 1 1 219 219 ARG H H 1 8.481 0.02 . 1 . . . . . 220 R HN . 19825 1 821 . 1 1 219 219 ARG C C 13 176.509 0.30 . 1 . . . . . 220 R C . 19825 1 822 . 1 1 219 219 ARG CA C 13 54.047 0.30 . 1 . . . . . 220 R CA . 19825 1 823 . 1 1 219 219 ARG CB C 13 31.696 0.30 . 1 . . . . . 220 R CB . 19825 1 824 . 1 1 219 219 ARG N N 15 121.074 0.30 . 1 . . . . . 220 R N . 19825 1 825 . 1 1 220 220 ASP H H 1 9.312 0.02 . 1 . . . . . 221 D HN . 19825 1 826 . 1 1 220 220 ASP C C 13 175.995 0.30 . 1 . . . . . 221 D C . 19825 1 827 . 1 1 220 220 ASP CA C 13 55.211 0.30 . 1 . . . . . 221 D CA . 19825 1 828 . 1 1 220 220 ASP CB C 13 39.376 0.30 . 1 . . . . . 221 D CB . 19825 1 829 . 1 1 220 220 ASP N N 15 129.823 0.30 . 1 . . . . . 221 D N . 19825 1 830 . 1 1 221 221 GLY H H 1 8.481 0.02 . 1 . . . . . 222 G HN . 19825 1 831 . 1 1 221 221 GLY C C 13 173.547 0.30 . 1 . . . . . 222 G C . 19825 1 832 . 1 1 221 221 GLY CA C 13 45.017 0.30 . 1 . . . . . 222 G CA . 19825 1 833 . 1 1 221 221 GLY N N 15 103.431 0.30 . 1 . . . . . 222 G N . 19825 1 834 . 1 1 222 222 GLU H H 1 7.815 0.02 . 1 . . . . . 223 E HN . 19825 1 835 . 1 1 222 222 GLU C C 13 177.144 0.30 . 1 . . . . . 223 E C . 19825 1 836 . 1 1 222 222 GLU CA C 13 54.054 0.30 . 1 . . . . . 223 E CA . 19825 1 837 . 1 1 222 222 GLU CB C 13 29.136 0.30 . 1 . . . . . 223 E CB . 19825 1 838 . 1 1 222 222 GLU N N 15 119.787 0.30 . 1 . . . . . 223 E N . 19825 1 839 . 1 1 223 223 ASP H H 1 9.050 0.02 . 1 . . . . . 224 D HN . 19825 1 840 . 1 1 223 223 ASP C C 13 176.936 0.30 . 1 . . . . . 224 D C . 19825 1 841 . 1 1 223 223 ASP CA C 13 56.019 0.30 . 1 . . . . . 224 D CA . 19825 1 842 . 1 1 223 223 ASP CB C 13 40.870 0.30 . 1 . . . . . 224 D CB . 19825 1 843 . 1 1 223 223 ASP N N 15 128.443 0.30 . 1 . . . . . 224 D N . 19825 1 844 . 1 1 224 224 GLN H H 1 8.875 0.02 . 1 . . . . . 225 Q HN . 19825 1 845 . 1 1 224 224 GLN C C 13 177.788 0.30 . 1 . . . . . 225 Q C . 19825 1 846 . 1 1 224 224 GLN CA C 13 53.223 0.30 . 1 . . . . . 225 Q CA . 19825 1 847 . 1 1 224 224 GLN CB C 13 29.796 0.30 . 1 . . . . . 225 Q CB . 19825 1 848 . 1 1 224 224 GLN N N 15 123.613 0.30 . 1 . . . . . 225 Q N . 19825 1 849 . 1 1 225 225 THR H H 1 8.356 0.02 . 1 . . . . . 226 T HN . 19825 1 850 . 1 1 225 225 THR C C 13 176.232 0.30 . 1 . . . . . 226 T C . 19825 1 851 . 1 1 225 225 THR CA C 13 54.063 0.30 . 1 . . . . . 226 T CA . 19825 1 852 . 1 1 225 225 THR CB C 13 68.391 0.30 . 1 . . . . . 226 T CB . 19825 1 853 . 1 1 225 225 THR N N 15 119.409 0.30 . 1 . . . . . 226 T N . 19825 1 854 . 1 1 226 226 GLN H H 1 8.744 0.02 . 1 . . . . . 227 Q HN . 19825 1 855 . 1 1 226 226 GLN C C 13 176.233 0.30 . 1 . . . . . 227 Q C . 19825 1 856 . 1 1 226 226 GLN CA C 13 57.472 0.30 . 1 . . . . . 227 Q CA . 19825 1 857 . 1 1 226 226 GLN CB C 13 27.934 0.30 . 1 . . . . . 227 Q CB . 19825 1 858 . 1 1 226 226 GLN N N 15 120.840 0.30 . 1 . . . . . 227 Q N . 19825 1 859 . 1 1 227 227 ASP H H 1 7.841 0.02 . 1 . . . . . 228 D HN . 19825 1 860 . 1 1 227 227 ASP C C 13 175.378 0.30 . 1 . . . . . 228 D C . 19825 1 861 . 1 1 227 227 ASP CA C 13 54.080 0.30 . 1 . . . . . 228 D CA . 19825 1 862 . 1 1 227 227 ASP CB C 13 41.587 0.30 . 1 . . . . . 228 D CB . 19825 1 863 . 1 1 227 227 ASP N N 15 117.687 0.30 . 1 . . . . . 228 D N . 19825 1 864 . 1 1 228 228 THR H H 1 7.506 0.02 . 1 . . . . . 229 T HN . 19825 1 865 . 1 1 228 228 THR C C 13 173.712 0.30 . 1 . . . . . 229 T C . 19825 1 866 . 1 1 228 228 THR CA C 13 62.296 0.30 . 1 . . . . . 229 T CA . 19825 1 867 . 1 1 228 228 THR CB C 13 69.865 0.30 . 1 . . . . . 229 T CB . 19825 1 868 . 1 1 228 228 THR N N 15 116.097 0.30 . 1 . . . . . 229 T N . 19825 1 869 . 1 1 229 229 GLU H H 1 9.458 0.02 . 1 . . . . . 230 E HN . 19825 1 870 . 1 1 229 229 GLU C C 13 174.325 0.30 . 1 . . . . . 230 E C . 19825 1 871 . 1 1 229 229 GLU CA C 13 54.909 0.30 . 1 . . . . . 230 E CA . 19825 1 872 . 1 1 229 229 GLU CB C 13 30.700 0.30 . 1 . . . . . 230 E CB . 19825 1 873 . 1 1 229 229 GLU N N 15 129.619 0.30 . 1 . . . . . 230 E N . 19825 1 874 . 1 1 230 230 LEU H H 1 8.756 0.02 . 1 . . . . . 231 L HN . 19825 1 875 . 1 1 230 230 LEU C C 13 176.986 0.30 . 1 . . . . . 231 L C . 19825 1 876 . 1 1 230 230 LEU CA C 13 53.305 0.30 . 1 . . . . . 231 L CA . 19825 1 877 . 1 1 230 230 LEU CB C 13 44.267 0.30 . 1 . . . . . 231 L CB . 19825 1 878 . 1 1 230 230 LEU N N 15 128.303 0.30 . 1 . . . . . 231 L N . 19825 1 879 . 1 1 231 231 VAL H H 1 6.570 0.02 . 1 . . . . . 232 V HN . 19825 1 880 . 1 1 231 231 VAL C C 13 175.672 0.30 . 1 . . . . . 232 V C . 19825 1 881 . 1 1 231 231 VAL CA C 13 58.903 0.30 . 1 . . . . . 232 V CA . 19825 1 882 . 1 1 231 231 VAL CB C 13 31.773 0.30 . 1 . . . . . 232 V CB . 19825 1 883 . 1 1 231 231 VAL N N 15 116.437 0.30 . 1 . . . . . 232 V N . 19825 1 884 . 1 1 232 232 GLU H H 1 8.241 0.02 . 1 . . . . . 233 E HN . 19825 1 885 . 1 1 232 232 GLU C C 13 175.874 0.30 . 1 . . . . . 233 E C . 19825 1 886 . 1 1 232 232 GLU CA C 13 56.059 0.30 . 1 . . . . . 233 E CA . 19825 1 887 . 1 1 232 232 GLU CB C 13 29.020 0.30 . 1 . . . . . 233 E CB . 19825 1 888 . 1 1 232 232 GLU N N 15 123.861 0.30 . 1 . . . . . 233 E N . 19825 1 889 . 1 1 233 233 THR H H 1 8.644 0.02 . 1 . . . . . 234 T HN . 19825 1 890 . 1 1 233 233 THR C C 13 173.928 0.30 . 1 . . . . . 234 T C . 19825 1 891 . 1 1 233 233 THR CA C 13 64.154 0.30 . 1 . . . . . 234 T CA . 19825 1 892 . 1 1 233 233 THR CB C 13 68.154 0.30 . 1 . . . . . 234 T CB . 19825 1 893 . 1 1 233 233 THR N N 15 122.414 0.30 . 1 . . . . . 234 T N . 19825 1 894 . 1 1 234 234 ARG H H 1 8.877 0.02 . 1 . . . . . 235 R HN . 19825 1 895 . 1 1 234 234 ARG C C 13 172.451 0.30 . 1 . . . . . 235 R C . 19825 1 896 . 1 1 234 234 ARG CA C 13 50.382 0.30 . 1 . . . . . 235 R CA . 19825 1 897 . 1 1 234 234 ARG CB C 13 30.015 0.30 . 1 . . . . . 235 R CB . 19825 1 898 . 1 1 234 234 ARG N N 15 125.010 0.30 . 1 . . . . . 235 R N . 19825 1 899 . 1 1 236 236 ALA H H 1 8.877 0.02 . 1 . . . . . 237 A HN . 19825 1 900 . 1 1 236 236 ALA C C 13 178.126 0.30 . 1 . . . . . 237 A C . 19825 1 901 . 1 1 236 236 ALA CA C 13 53.055 0.30 . 1 . . . . . 237 A CA . 19825 1 902 . 1 1 236 236 ALA CB C 13 53.055 0.30 . 1 . . . . . 237 A CB . 19825 1 903 . 1 1 236 236 ALA N N 15 125.352 0.30 . 1 . . . . . 237 A N . 19825 1 904 . 1 1 237 237 GLY H H 1 8.532 0.02 . 1 . . . . . 238 G HN . 19825 1 905 . 1 1 237 237 GLY C C 13 172.311 0.30 . 1 . . . . . 238 G C . 19825 1 906 . 1 1 237 237 GLY CA C 13 43.770 0.30 . 1 . . . . . 238 G CA . 19825 1 907 . 1 1 237 237 GLY N N 15 106.262 0.30 . 1 . . . . . 238 G N . 19825 1 908 . 1 1 238 238 ASP H H 1 7.350 0.02 . 1 . . . . . 239 D HN . 19825 1 909 . 1 1 238 238 ASP C C 13 174.229 0.30 . 1 . . . . . 239 D C . 19825 1 910 . 1 1 238 238 ASP CA C 13 51.569 0.30 . 1 . . . . . 239 D CA . 19825 1 911 . 1 1 238 238 ASP CB C 13 39.764 0.30 . 1 . . . . . 239 D CB . 19825 1 912 . 1 1 238 238 ASP N N 15 119.818 0.30 . 1 . . . . . 239 D N . 19825 1 913 . 1 1 242 242 GLN H H 1 8.560 0.02 . 1 . . . . . 243 Q HN . 19825 1 914 . 1 1 242 242 GLN C C 13 175.643 0.30 . 1 . . . . . 243 Q C . 19825 1 915 . 1 1 242 242 GLN CA C 13 52.684 0.30 . 1 . . . . . 243 Q CA . 19825 1 916 . 1 1 242 242 GLN CB C 13 43.255 0.30 . 1 . . . . . 243 Q CB . 19825 1 917 . 1 1 242 242 GLN N N 15 111.683 0.30 . 1 . . . . . 243 Q N . 19825 1 918 . 1 1 243 243 LYS H H 1 9.532 0.02 . 1 . . . . . 244 K HN . 19825 1 919 . 1 1 243 243 LYS C C 13 172.082 0.30 . 1 . . . . . 244 K C . 19825 1 920 . 1 1 243 243 LYS CA C 13 57.090 0.30 . 1 . . . . . 244 K CA . 19825 1 921 . 1 1 243 243 LYS CB C 13 38.019 0.30 . 1 . . . . . 244 K CB . 19825 1 922 . 1 1 243 243 LYS N N 15 120.530 0.30 . 1 . . . . . 244 K N . 19825 1 923 . 1 1 244 244 TRP H H 1 6.152 0.02 . 1 . . . . . 245 W HN . 19825 1 924 . 1 1 244 244 TRP C C 13 174.128 0.30 . 1 . . . . . 245 W C . 19825 1 925 . 1 1 244 244 TRP CA C 13 54.678 0.30 . 1 . . . . . 245 W CA . 19825 1 926 . 1 1 244 244 TRP CB C 13 33.248 0.30 . 1 . . . . . 245 W CB . 19825 1 927 . 1 1 244 244 TRP N N 15 116.314 0.30 . 1 . . . . . 245 W N . 19825 1 928 . 1 1 245 245 ALA H H 1 8.630 0.02 . 1 . . . . . 246 A HN . 19825 1 929 . 1 1 245 245 ALA C C 13 177.611 0.30 . 1 . . . . . 246 A C . 19825 1 930 . 1 1 245 245 ALA CA C 13 50.122 0.30 . 1 . . . . . 246 A CA . 19825 1 931 . 1 1 245 245 ALA CB C 13 23.084 0.30 . 1 . . . . . 246 A CB . 19825 1 932 . 1 1 245 245 ALA N N 15 119.258 0.30 . 1 . . . . . 246 A N . 19825 1 933 . 1 1 246 246 ALA H H 1 10.653 0.02 . 1 . . . . . 247 A HN . 19825 1 934 . 1 1 246 246 ALA C C 13 174.732 0.30 . 1 . . . . . 247 A C . 19825 1 935 . 1 1 246 246 ALA CA C 13 50.688 0.30 . 1 . . . . . 247 A CA . 19825 1 936 . 1 1 246 246 ALA CB C 13 23.977 0.30 . 1 . . . . . 247 A CB . 19825 1 937 . 1 1 246 246 ALA N N 15 131.507 0.30 . 1 . . . . . 247 A N . 19825 1 938 . 1 1 247 247 VAL H H 1 8.201 0.02 . 1 . . . . . 248 V HN . 19825 1 939 . 1 1 247 247 VAL C C 13 172.456 0.30 . 1 . . . . . 248 V C . 19825 1 940 . 1 1 247 247 VAL CA C 13 58.919 0.30 . 1 . . . . . 248 V CA . 19825 1 941 . 1 1 247 247 VAL CB C 13 34.838 0.30 . 1 . . . . . 248 V CB . 19825 1 942 . 1 1 247 247 VAL N N 15 117.515 0.30 . 1 . . . . . 248 V N . 19825 1 943 . 1 1 248 248 VAL H H 1 8.162 0.02 . 1 . . . . . 249 V HN . 19825 1 944 . 1 1 248 248 VAL C C 13 176.053 0.30 . 1 . . . . . 249 V C . 19825 1 945 . 1 1 248 248 VAL CA C 13 61.547 0.30 . 1 . . . . . 249 V CA . 19825 1 946 . 1 1 248 248 VAL CB C 13 30.959 0.30 . 1 . . . . . 249 V CB . 19825 1 947 . 1 1 248 248 VAL N N 15 125.633 0.30 . 1 . . . . . 249 V N . 19825 1 948 . 1 1 249 249 VAL H H 1 9.136 0.02 . 1 . . . . . 250 P HN . 19825 1 949 . 1 1 249 249 VAL C C 13 172.304 0.30 . 1 . . . . . 250 P C . 19825 1 950 . 1 1 249 249 VAL CA C 13 56.492 0.30 . 1 . . . . . 250 P CA . 19825 1 951 . 1 1 249 249 VAL CB C 13 31.851 0.30 . 1 . . . . . 250 P CB . 19825 1 952 . 1 1 249 249 VAL N N 15 124.127 0.30 . 1 . . . . . 250 P N . 19825 1 953 . 1 1 251 251 SER H H 1 8.036 0.02 . 1 . . . . . 252 S HN . 19825 1 954 . 1 1 251 251 SER C C 13 176.153 0.30 . 1 . . . . . 252 S C . 19825 1 955 . 1 1 251 251 SER CA C 13 59.402 0.30 . 1 . . . . . 252 S CA . 19825 1 956 . 1 1 251 251 SER CB C 13 62.185 0.30 . 1 . . . . . 252 S CB . 19825 1 957 . 1 1 251 251 SER N N 15 120.418 0.30 . 1 . . . . . 252 S N . 19825 1 958 . 1 1 252 252 GLY H H 1 9.417 0.02 . 1 . . . . . 253 G HN . 19825 1 959 . 1 1 252 252 GLY C C 13 175.558 0.30 . 1 . . . . . 253 G C . 19825 1 960 . 1 1 252 252 GLY CA C 13 45.000 0.30 . 1 . . . . . 253 G CA . 19825 1 961 . 1 1 252 252 GLY N N 15 117.576 0.30 . 1 . . . . . 253 G N . 19825 1 962 . 1 1 253 253 GLU H H 1 8.108 0.02 . 1 . . . . . 254 E HN . 19825 1 963 . 1 1 253 253 GLU C C 13 177.382 0.30 . 1 . . . . . 254 E C . 19825 1 964 . 1 1 253 253 GLU CA C 13 55.544 0.30 . 1 . . . . . 254 E CA . 19825 1 965 . 1 1 253 253 GLU CB C 13 29.020 0.30 . 1 . . . . . 254 E CB . 19825 1 966 . 1 1 253 253 GLU N N 15 119.713 0.30 . 1 . . . . . 254 E N . 19825 1 967 . 1 1 254 254 GLU H H 1 10.341 0.02 . 1 . . . . . 255 E HN . 19825 1 968 . 1 1 254 254 GLU C C 13 178.990 0.30 . 1 . . . . . 255 E C . 19825 1 969 . 1 1 254 254 GLU CA C 13 62.096 0.30 . 1 . . . . . 255 E CA . 19825 1 970 . 1 1 254 254 GLU CB C 13 21.106 0.30 . 1 . . . . . 255 E CB . 19825 1 971 . 1 1 254 254 GLU N N 15 121.092 0.30 . 1 . . . . . 255 E N . 19825 1 972 . 1 1 255 255 GLN H H 1 8.997 0.02 . 1 . . . . . 256 Q HN . 19825 1 973 . 1 1 255 255 GLN C C 13 177.108 0.30 . 1 . . . . . 256 Q C . 19825 1 974 . 1 1 255 255 GLN CA C 13 57.273 0.30 . 1 . . . . . 256 Q CA . 19825 1 975 . 1 1 255 255 GLN CB C 13 26.731 0.30 . 1 . . . . . 256 Q CB . 19825 1 976 . 1 1 255 255 GLN N N 15 114.350 0.30 . 1 . . . . . 256 Q N . 19825 1 977 . 1 1 256 256 ARG H H 1 8.217 0.02 . 1 . . . . . 257 R HN . 19825 1 978 . 1 1 256 256 ARG C C 13 176.204 0.30 . 1 . . . . . 257 R C . 19825 1 979 . 1 1 256 256 ARG CA C 13 56.691 0.30 . 1 . . . . . 257 R CA . 19825 1 980 . 1 1 256 256 ARG CB C 13 30.028 0.30 . 1 . . . . . 257 R CB . 19825 1 981 . 1 1 256 256 ARG N N 15 118.618 0.30 . 1 . . . . . 257 R N . 19825 1 982 . 1 1 257 257 TYR H H 1 7.973 0.02 . 1 . . . . . 258 Y HN . 19825 1 983 . 1 1 257 257 TYR C C 13 176.254 0.30 . 1 . . . . . 258 Y C . 19825 1 984 . 1 1 257 257 TYR CA C 13 57.223 0.30 . 1 . . . . . 258 Y CA . 19825 1 985 . 1 1 257 257 TYR CB C 13 39.493 0.30 . 1 . . . . . 258 Y CB . 19825 1 986 . 1 1 257 257 TYR N N 15 120.498 0.30 . 1 . . . . . 258 Y N . 19825 1 987 . 1 1 258 258 THR H H 1 9.297 0.02 . 1 . . . . . 259 T HN . 19825 1 988 . 1 1 258 258 THR C C 13 172.116 0.30 . 1 . . . . . 259 T C . 19825 1 989 . 1 1 258 258 THR CA C 13 58.779 0.30 . 1 . . . . . 259 T CA . 19825 1 990 . 1 1 258 258 THR CB C 13 70.444 0.30 . 1 . . . . . 259 T CB . 19825 1 991 . 1 1 258 258 THR N N 15 113.544 0.30 . 1 . . . . . 259 T N . 19825 1 992 . 1 1 259 259 CYS H H 1 9.076 0.02 . 1 . . . . . 260 C HN . 19825 1 993 . 1 1 259 259 CYS C C 13 172.161 0.30 . 1 . . . . . 260 C C . 19825 1 994 . 1 1 259 259 CYS CA C 13 51.425 0.30 . 1 . . . . . 260 C CA . 19825 1 995 . 1 1 259 259 CYS CB C 13 40.209 0.30 . 1 . . . . . 260 C CB . 19825 1 996 . 1 1 259 259 CYS N N 15 125.052 0.30 . 1 . . . . . 260 C N . 19825 1 997 . 1 1 260 260 HIS H H 1 9.179 0.02 . 1 . . . . . 261 H HN . 19825 1 998 . 1 1 260 260 HIS C C 13 174.839 0.30 . 1 . . . . . 261 H C . 19825 1 999 . 1 1 260 260 HIS CA C 13 54.204 0.30 . 1 . . . . . 261 H CA . 19825 1 1000 . 1 1 260 260 HIS CB C 13 30.623 0.30 . 1 . . . . . 261 H CB . 19825 1 1001 . 1 1 260 260 HIS N N 15 128.773 0.30 . 1 . . . . . 261 H N . 19825 1 1002 . 1 1 261 261 VAL H H 1 8.441 0.02 . 1 . . . . . 262 V HN . 19825 1 1003 . 1 1 261 261 VAL C C 13 174.147 0.30 . 1 . . . . . 262 V C . 19825 1 1004 . 1 1 261 261 VAL CA C 13 60.338 0.30 . 1 . . . . . 262 V CA . 19825 1 1005 . 1 1 261 261 VAL CB C 13 33.782 0.30 . 1 . . . . . 262 V CB . 19825 1 1006 . 1 1 261 261 VAL N N 15 125.138 0.30 . 1 . . . . . 262 V N . 19825 1 1007 . 1 1 262 262 GLN H H 1 8.430 0.02 . 1 . . . . . 263 Q HN . 19825 1 1008 . 1 1 262 262 GLN C C 13 173.776 0.30 . 1 . . . . . 263 Q C . 19825 1 1009 . 1 1 262 262 GLN CA C 13 53.672 0.30 . 1 . . . . . 263 Q CA . 19825 1 1010 . 1 1 262 262 GLN CB C 13 31.088 0.30 . 1 . . . . . 263 Q CB . 19825 1 1011 . 1 1 262 262 GLN N N 15 124.602 0.30 . 1 . . . . . 263 Q N . 19825 1 1012 . 1 1 263 263 HIS H H 1 8.062 0.02 . 1 . . . . . 264 H HN . 19825 1 1013 . 1 1 263 263 HIS C C 13 175.067 0.30 . 1 . . . . . 264 H C . 19825 1 1014 . 1 1 263 263 HIS CA C 13 57.772 0.30 . 1 . . . . . 264 H CA . 19825 1 1015 . 1 1 263 263 HIS CB C 13 35.653 0.30 . 1 . . . . . 264 H CB . 19825 1 1016 . 1 1 263 263 HIS N N 15 122.882 0.30 . 1 . . . . . 264 H N . 19825 1 1017 . 1 1 264 264 GLU H H 1 8.237 0.02 . 1 . . . . . 265 E HN . 19825 1 1018 . 1 1 264 264 GLU C C 13 177.012 0.30 . 1 . . . . . 265 E C . 19825 1 1019 . 1 1 264 264 GLU CA C 13 58.371 0.30 . 1 . . . . . 265 E CA . 19825 1 1020 . 1 1 264 264 GLU CB C 13 29.330 0.30 . 1 . . . . . 265 E CB . 19825 1 1021 . 1 1 264 264 GLU N N 15 127.071 0.30 . 1 . . . . . 265 E N . 19825 1 1022 . 1 1 265 265 GLY H H 1 10.703 0.02 . 1 . . . . . 266 G HN . 19825 1 1023 . 1 1 265 265 GLY C C 13 173.224 0.30 . 1 . . . . . 266 G C . 19825 1 1024 . 1 1 265 265 GLY CA C 13 44.650 0.30 . 1 . . . . . 266 G CA . 19825 1 1025 . 1 1 265 265 GLY N N 15 111.101 0.30 . 1 . . . . . 266 G N . 19825 1 1026 . 1 1 266 266 LEU H H 1 7.994 0.02 . 1 . . . . . 267 L HN . 19825 1 1027 . 1 1 266 266 LEU C C 13 175.493 0.30 . 1 . . . . . 267 L C . 19825 1 1028 . 1 1 266 266 LEU CA C 13 51.037 0.30 . 1 . . . . . 267 L CA . 19825 1 1029 . 1 1 266 266 LEU CB C 13 41.471 0.30 . 1 . . . . . 267 L CB . 19825 1 1030 . 1 1 266 266 LEU N N 15 122.283 0.30 . 1 . . . . . 267 L N . 19825 1 1031 . 1 1 270 270 LEU H H 1 8.319 0.02 . 1 . . . . . 271 L HN . 19825 1 1032 . 1 1 270 270 LEU C C 13 176.734 0.30 . 1 . . . . . 271 L C . 19825 1 1033 . 1 1 270 270 LEU CA C 13 53.479 0.30 . 1 . . . . . 271 L CA . 19825 1 1034 . 1 1 270 270 LEU CB C 13 44.616 0.30 . 1 . . . . . 271 L CB . 19825 1 1035 . 1 1 270 270 LEU N N 15 123.592 0.30 . 1 . . . . . 271 L N . 19825 1 1036 . 1 1 271 271 THR H H 1 8.312 0.02 . 1 . . . . . 272 T HN . 19825 1 1037 . 1 1 271 271 THR C C 13 173.628 0.30 . 1 . . . . . 272 T C . 19825 1 1038 . 1 1 271 271 THR CA C 13 61.043 0.30 . 1 . . . . . 272 T CA . 19825 1 1039 . 1 1 271 271 THR CB C 13 69.862 0.30 . 1 . . . . . 272 T CB . 19825 1 1040 . 1 1 271 271 THR N N 15 117.960 0.30 . 1 . . . . . 272 T N . 19825 1 1041 . 1 1 272 272 LEU H H 1 9.422 0.02 . 1 . . . . . 273 L HN . 19825 1 1042 . 1 1 272 272 LEU C C 13 170.480 0.30 . 1 . . . . . 273 L C . 19825 1 1043 . 1 1 272 272 LEU CA C 13 54.296 0.30 . 1 . . . . . 273 L CA . 19825 1 1044 . 1 1 272 272 LEU CB C 13 44.305 0.30 . 1 . . . . . 273 L CB . 19825 1 1045 . 1 1 272 272 LEU N N 15 127.244 0.30 . 1 . . . . . 273 L N . 19825 1 stop_ save_